# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 25 4S-H N 8.319 ambi=1 { N:116.143 } atom: 10 2P-HB2 B 2.401 ambi=2 { CB:32.513 } :: atom: 25 4S-H N 8.319 ambi=1 { N:116.143 } atom: 11 2P-HB3 B 2.011 ambi=2 { CB:32.513 } ::sumAvg: 4.685 atom: 634 53V-H N 8.67 ambi=1 { N:119.131 } atom: 34 5R-HA A 4.466 ambi=1 { CA:54.848 } ::sumAvg: 4.68 atom: 634 53V-H N 8.67 ambi=1 { N:119.131 } atom: 35 5R-HB2 B 1.648 ambi=2 { CB:32.347 } :: atom: 634 53V-H N 8.67 ambi=1 { N:119.131 } atom: 36 5R-HB3 B 1.62 ambi=2 { CB:32.347 } ::sumAvg: 4.055 atom: 634 53V-H N 8.67 ambi=1 { N:119.131 } atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } ::sumAvg: 4.445 atom: 659 55F-H N 8.856 ambi=1 { N:124.453 } atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } ::sumAvg: 4.875 atom: 33 5R-H N 8.327 ambi=1 { N:121.761 } atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } ::sumAvg: 4.865 atom: 33 5R-H N 8.327 ambi=1 { N:121.761 } atom: 646 54I-HA A 4.256 ambi=1 { CA:60.076 } ::sumAvg: 4.05 atom: 33 5R-H N 8.327 ambi=1 { N:121.761 } atom: 651 54I-HD1 D1 0.71 ambi=1 { CD1:13.526 } ::sumAvg: 4.87 atom: 47 6Y-H N 8.505 ambi=1 { N:120.186 } atom: 37 5R-QG G 1.379 ambi=2 { CG:26.943 } ::sumAvg: 2.47 atom: 63 7I-H N 8.936 ambi=1 { N:127.428 } atom: 37 5R-QG G 1.379 ambi=2 { CG:26.943 } ::sumAvg: 4.485 atom: 47 6Y-H N 8.505 ambi=1 { N:120.186 } atom: 40 5R-HD3 D 3.02 ambi=2 { CD:43.576 } :: atom: 47 6Y-H N 8.505 ambi=1 { N:120.186 } atom: 39 5R-HD2 D 3.105 ambi=2 { CD:43.576 } ::sumAvg: 4.88 atom: 77 8T-H N 8.717 ambi=1 { N:117.2 } atom: 49 6Y-QB B 2.701 ambi=2 { CB:39.766 } ::sumAvg: 4.885 atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } atom: 49 6Y-QB B 2.701 ambi=2 { CB:39.766 } ::sumAvg: 4.875 atom: 47 6Y-H N 8.505 ambi=1 { N:120.186 } atom: 53 6Y-QE E 6.729 ambi=3 { CE1:118.33 } ::sumAvg: 4.975 atom: 47 6Y-H N 8.505 ambi=1 { N:120.186 } atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } ::sumAvg: 4.445 atom: 47 6Y-H N 8.505 ambi=1 { N:120.186 } atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } ::sumAvg: 4.825 atom: 47 6Y-H N 8.505 ambi=1 { N:120.186 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 47 6Y-H N 8.505 ambi=1 { N:120.186 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } ::sumAvg: 4.97 atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } atom: 51 6Y-QD D 6.889 ambi=3 { CD1:132.638 } ::sumAvg: 4.635 atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } atom: 51 6Y-QD D 6.889 ambi=3 { CD1:132.638 } ::sumAvg: 4.755 atom: 63 7I-H N 8.936 ambi=1 { N:127.428 } atom: 80 8T-HG2 G2 0.879 ambi=1 { CG2:20.715 } ::sumAvg: 4.23 atom: 63 7I-H N 8.936 ambi=1 { N:127.428 } atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } ::sumAvg: 4.805 atom: 63 7I-H N 8.936 ambi=1 { N:127.428 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } ::sumAvg: 4.285 atom: 63 7I-H N 8.936 ambi=1 { N:127.428 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } ::sumAvg: 4.875 atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } atom: 63 7I-H N 8.936 ambi=1 { N:127.428 } ::sumAvg: 4.875 atom: 63 7I-H N 8.936 ambi=1 { N:127.428 } atom: 753 62I-HD1 D1 0.887 ambi=1 { CD1:12.828 } ::sumAvg: 4.545 atom: 86 9D-H N 8.34 ambi=1 { N:124.413 } atom: 64 7I-HA A 4.013 ambi=1 { CA:58.396 } ::sumAvg: 4.99 atom: 86 9D-H N 8.34 ambi=1 { N:124.413 } atom: 65 7I-HB B 0.301 ambi=1 { CB:36.031 } ::sumAvg: 4.625 atom: 600 50N-HD21 D2 7.862 ambi=1 { ND2:110.553 } atom: 78 8T-HA A 4.598 ambi=1 { CA:56.129 } :: atom: 601 50N-HD22 D2 6.511 ambi=1 { ND2:110.553 } atom: 78 8T-HA A 4.598 ambi=1 { CA:56.129 } ::sumAvg: 3.1 atom: 94 10M-H N 8.715 ambi=1 { N:115.48 } atom: 79 8T-HB B 4.196 ambi=1 { CB:69.925 } ::sumAvg: 4.01 atom: 77 8T-H N 8.717 ambi=1 { N:117.2 } atom: 87 9D-HA A 4.481 ambi=1 { CA:56.433 } ::sumAvg: 4.52 atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } ::sumAvg: 4.74 atom: 86 9D-H N 8.34 ambi=1 { N:124.413 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 4.945 atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } atom: 86 9D-H N 8.34 ambi=1 { N:124.413 } ::sumAvg: 4.35 atom: 86 9D-H N 8.34 ambi=1 { N:124.413 } atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } :: atom: 86 9D-H N 8.34 ambi=1 { N:124.413 } atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } ::sumAvg: 4.425 atom: 86 9D-H N 8.34 ambi=1 { N:124.413 } atom: 601 50N-HD22 D2 6.511 ambi=1 { ND2:110.553 } ::sumAvg: 4.23 atom: 601 50N-HD22 D2 6.511 ambi=1 { ND2:110.553 } atom: 86 9D-H N 8.34 ambi=1 { N:124.413 } ::sumAvg: 4.23 atom: 94 10M-H N 8.715 ambi=1 { N:115.48 } atom: 108 11T-HA A 4.35 ambi=1 { CA:60.557 } ::sumAvg: 4.985 atom: 94 10M-H N 8.715 ambi=1 { N:115.48 } atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } :: atom: 94 10M-H N 8.715 ambi=1 { N:115.48 } atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } ::sumAvg: 4.53 atom: 94 10M-H N 8.715 ambi=1 { N:115.48 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } ::sumAvg: 4.87 atom: 94 10M-H N 8.715 ambi=1 { N:115.48 } atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } ::sumAvg: 4.245 atom: 94 10M-H N 8.715 ambi=1 { N:115.48 } atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } :: atom: 94 10M-H N 8.715 ambi=1 { N:115.48 } atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } ::sumAvg: 4.74 atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } ::sumAvg: 4.705 atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } ::sumAvg: 4.78 atom: 107 11T-H N 8.816 ambi=1 { N:113.52 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 3.35 atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 4.315 atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 4.7 atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 4.55 atom: 600 50N-HD21 D2 7.862 ambi=1 { ND2:110.553 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } :: atom: 601 50N-HD22 D2 6.511 ambi=1 { ND2:110.553 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 3.585 atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 4.775 atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 4.995 atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } atom: 100 10M-HE E 2 ambi=1 { CE:18.34 } ::sumAvg: 4.915 atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } atom: 100 10M-HE E 2 ambi=1 { CE:18.34 } ::sumAvg: 4.22 atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } atom: 107 11T-H N 8.816 ambi=1 { N:113.52 } ::sumAvg: 4.53 atom: 601 50N-HD22 D2 6.511 ambi=1 { ND2:110.553 } atom: 108 11T-HA A 4.35 ambi=1 { CA:60.557 } ::sumAvg: 4.455 atom: 116 12I-H N 8.671 ambi=1 { N:120.247 } atom: 132 13E-QB B 2.002 ambi=2 { CB:28.658 } ::sumAvg: 4.665 atom: 116 12I-H N 8.671 ambi=1 { N:120.247 } atom: 134 13E-HG2 G 2.388 ambi=2 { CG:36.537 } :: atom: 116 12I-H N 8.671 ambi=1 { N:120.247 } atom: 135 13E-HG3 G 2.314 ambi=2 { CG:36.537 } ::sumAvg: 4.365 atom: 116 12I-H N 8.671 ambi=1 { N:120.247 } atom: 141 14E-H N 7.596 ambi=1 { N:119.718 } ::sumAvg: 4.685 atom: 141 14E-H N 7.596 ambi=1 { N:119.718 } atom: 116 12I-H N 8.671 ambi=1 { N:120.247 } ::sumAvg: 4.685 atom: 116 12I-H N 8.671 ambi=1 { N:120.247 } atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } ::sumAvg: 4.725 atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } atom: 116 12I-H N 8.671 ambi=1 { N:120.247 } ::sumAvg: 4.725 atom: 116 12I-H N 8.671 ambi=1 { N:120.247 } atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } ::sumAvg: 4.355 atom: 141 14E-H N 7.596 ambi=1 { N:119.718 } atom: 117 12I-HA A 3.852 ambi=1 { CA:64.19 } ::sumAvg: 4.735 atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } atom: 121 12I-HG2 G2 0.929 ambi=1 { CG2:17.478 } ::sumAvg: 4.62 atom: 166 16S-H N 7.54 ambi=1 { N:108.757 } atom: 121 12I-HG2 G2 0.929 ambi=1 { CG2:17.478 } ::sumAvg: 3.94 atom: 130 13E-H N 8.312 ambi=1 { N:122.63 } atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } ::sumAvg: 4.495 atom: 130 13E-H N 8.312 ambi=1 { N:122.63 } atom: 166 16S-H N 7.54 ambi=1 { N:108.757 } ::sumAvg: 4.725 atom: 166 16S-H N 7.54 ambi=1 { N:108.757 } atom: 130 13E-H N 8.312 ambi=1 { N:122.63 } ::sumAvg: 4.725 atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } atom: 131 13E-HA A 3.974 ambi=1 { CA:60.196 } ::sumAvg: 4.45 atom: 166 16S-H N 7.54 ambi=1 { N:108.757 } atom: 132 13E-QB B 2.002 ambi=2 { CB:28.658 } ::sumAvg: 4.92 atom: 141 14E-H N 7.596 ambi=1 { N:119.718 } atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } ::sumAvg: 4.185 atom: 141 14E-H N 7.596 ambi=1 { N:119.718 } atom: 176 17R-HB2 B 2.279 ambi=1 { CB:31.263 } :: atom: 141 14E-H N 7.596 ambi=1 { N:119.718 } atom: 177 17R-HB3 B 1.63 ambi=2 { CB:31.263 } ::sumAvg: 4.71 atom: 166 16S-H N 7.54 ambi=1 { N:108.757 } atom: 142 14E-HA A 3.716 ambi=1 { CA:59.594 } ::sumAvg: 4.255 atom: 174 17R-H N 7.36 ambi=1 { N:124.591 } atom: 142 14E-HA A 3.716 ambi=1 { CA:59.594 } ::sumAvg: 3.595 atom: 166 16S-H N 7.54 ambi=1 { N:108.757 } atom: 143 14E-QB B 1.789 ambi=2 { CB:30.756 } ::sumAvg: 4.88 atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } atom: 174 17R-H N 7.36 ambi=1 { N:124.591 } ::sumAvg: 3.955 atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } atom: 176 17R-HB2 B 2.279 ambi=1 { CB:31.263 } :: atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } atom: 177 17R-HB3 B 1.63 ambi=2 { CB:31.263 } ::sumAvg: 4.85 atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } atom: 153 15L-HA A 4.06 ambi=1 { CA:57.4 } ::sumAvg: 2.715 atom: 174 17R-H N 7.36 ambi=1 { N:124.591 } atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } ::sumAvg: 4.47 atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } ::sumAvg: 4.65 atom: 166 16S-H N 7.54 ambi=1 { N:108.757 } atom: 156 15L-HG G 1.757 ambi=1 { CG:25.963 } ::sumAvg: 4.5 atom: 174 17R-H N 7.36 ambi=1 { N:124.591 } atom: 157 15L-HD1 D1 0.863 ambi=2 { CD1:25.427 } :: atom: 174 17R-H N 7.36 ambi=1 { N:124.591 } atom: 158 15L-HD2 D2 0.849 ambi=2 { CD2:25.527 } ::sumAvg: 4.94 atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } atom: 157 15L-HD1 D1 0.863 ambi=2 { CD1:25.427 } :: atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } atom: 158 15L-HD2 D2 0.849 ambi=2 { CD2:25.527 } ::sumAvg: 4.08 atom: 174 17R-H N 7.36 ambi=1 { N:124.591 } atom: 180 17R-HD2 D 3.442 ambi=2 { CD:44.455 } :: atom: 174 17R-H N 7.36 ambi=1 { N:124.591 } atom: 181 17R-HD3 D 3.189 ambi=2 { CD:44.455 } ::sumAvg: 4.915 atom: 174 17R-H N 7.36 ambi=1 { N:124.591 } atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } ::sumAvg: 4.195 atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } atom: 174 17R-H N 7.36 ambi=1 { N:124.591 } ::sumAvg: 4.195 atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } atom: 177 17R-HB3 B 1.63 ambi=2 { CB:31.263 } ::sumAvg: 4.185 atom: 196 19W-H N 8.298 ambi=1 { N:120.059 } atom: 178 17R-HG2 G 2.114 ambi=2 { CG:25.85 } :: atom: 196 19W-H N 8.298 ambi=1 { N:120.059 } atom: 179 17R-HG3 G 1.837 ambi=2 { CG:25.85 } ::sumAvg: 4.73 atom: 188 18D-H N 8.663 ambi=1 { N:124.729 } atom: 200 19W-HD1 D1 7.196 ambi=1 { CD1:126.687 } ::sumAvg: 4.66 atom: 196 19W-H N 8.298 ambi=1 { N:120.059 } atom: 201 19W-HE1 E1 9.702 ambi=1 { NE1:129.351 } ::sumAvg: 4.525 atom: 201 19W-HE1 E1 9.702 ambi=1 { NE1:129.351 } atom: 196 19W-H N 8.298 ambi=1 { N:120.059 } ::sumAvg: 4.525 atom: 196 19W-H N 8.298 ambi=1 { N:120.059 } atom: 217 20F-HA A 4.391 ambi=1 { CA:56.208 } ::sumAvg: 4.775 atom: 196 19W-H N 8.298 ambi=1 { N:120.059 } atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } ::sumAvg: 4.735 atom: 201 19W-HE1 E1 9.702 ambi=1 { NE1:129.351 } atom: 198 19W-HB2 B 3.28 ambi=2 { CB:31.034 } :: atom: 201 19W-HE1 E1 9.702 ambi=1 { NE1:129.351 } atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } ::sumAvg: 4.85 atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } atom: 201 19W-HE1 E1 9.702 ambi=1 { NE1:129.351 } ::sumAvg: 4.925 atom: 201 19W-HE1 E1 9.702 ambi=1 { NE1:129.351 } atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } ::sumAvg: 4.27 atom: 201 19W-HE1 E1 9.702 ambi=1 { NE1:129.351 } atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } :: atom: 201 19W-HE1 E1 9.702 ambi=1 { NE1:129.351 } atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } ::sumAvg: 4.915 atom: 234 21M-H N 8.136 ambi=1 { N:120.839 } atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } ::sumAvg: 4.86 atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } atom: 203 19W-HZ2 Z2 6.96 ambi=1 { CZ2:112.742 } ::sumAvg: 4.84 atom: 216 20F-H N 8.455 ambi=1 { N:120.864 } atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } ::sumAvg: 4.93 atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } atom: 220 20F-QD D 7.091 ambi=3 { CD1:132.173 } ::sumAvg: 3.83 atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } atom: 222 20F-QE E 7.265 ambi=3 { CE1:131.17 } ::sumAvg: 4.51 atom: 234 21M-H N 8.136 ambi=1 { N:120.839 } atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } ::sumAvg: 4.4 atom: 234 21M-H N 8.136 ambi=1 { N:120.839 } atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } ::sumAvg: 4.35 atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } atom: 234 21M-H N 8.136 ambi=1 { N:120.839 } ::sumAvg: 4.35 atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } ::sumAvg: 3.965 atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } atom: 236 21M-HG2 G 2.136 ambi=2 { CG:33.813 } :: atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } atom: 237 21M-HG3 G 1.763 ambi=2 { CG:33.813 } ::sumAvg: 4.185 atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } ::sumAvg: 3.43 atom: 415 35R-HE E 7.077 ambi=1 { NE:84.81 } atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } ::sumAvg: 3.795 atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } atom: 249 22L-HD1 D1 0.966 ambi=2 { CD1:24.474 } :: atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } atom: 250 22L-HD2 D2 0.923 ambi=2 { CD2:23.933 } ::sumAvg: 3.08 atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } ::sumAvg: 4.93 atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } atom: 262 23M-HG2 G 2.507 ambi=2 { CG:32.139 } :: atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } atom: 263 23M-HG3 G 2.357 ambi=2 { CG:32.139 } ::sumAvg: 4.92 atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } atom: 276 24P-HD2 D 3.636 ambi=2 { CD:50.47 } :: atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } atom: 277 24P-HD3 D 3.215 ambi=2 { CD:50.47 } ::sumAvg: 4.065 atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } ::sumAvg: 4.71 atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } :: atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } ::sumAvg: 3.8 atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } atom: 460 39A-H N 8.497 ambi=1 { N:119.974 } ::sumAvg: 4.865 atom: 460 39A-H N 8.497 ambi=1 { N:119.974 } atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } ::sumAvg: 4.865 atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } atom: 462 39A-HB B 1.441 ambi=1 { CB:20.63 } ::sumAvg: 3.66 atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } ::sumAvg: 4.255 atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } atom: 246 22L-HB2 B 1.933 ambi=2 { CB:42.06 } :: atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } atom: 247 22L-HB3 B 1.586 ambi=2 { CB:42.06 } ::sumAvg: 3.205 atom: 460 39A-H N 8.497 ambi=1 { N:119.974 } atom: 249 22L-HD1 D1 0.966 ambi=2 { CD1:24.474 } :: atom: 460 39A-H N 8.497 ambi=1 { N:119.974 } atom: 250 22L-HD2 D2 0.923 ambi=2 { CD2:23.933 } ::sumAvg: 4.475 atom: 467 40I-H N 6.805 ambi=1 { N:117.228 } atom: 249 22L-HD1 D1 0.966 ambi=2 { CD1:24.474 } :: atom: 467 40I-H N 6.805 ambi=1 { N:117.228 } atom: 250 22L-HD2 D2 0.923 ambi=2 { CD2:23.933 } ::sumAvg: 4.98 atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } atom: 264 23M-HE E 1.956 ambi=1 { CE:16.53 } ::sumAvg: 4.775 atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } ::sumAvg: 4.415 atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } :: atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } ::sumAvg: 4.145 atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } ::sumAvg: 3.805 atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } ::sumAvg: 3.805 atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } ::sumAvg: 4.52 atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } ::sumAvg: 4.18 atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } atom: 272 24P-HB2 B 2.167 ambi=2 { CB:33.63 } :: atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } atom: 273 24P-HB3 B 1.845 ambi=2 { CB:33.63 } ::sumAvg: 3.595 atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } ::sumAvg: 4.875 atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } atom: 408 35R-HA A 5.378 ambi=1 { CA:54.992 } ::sumAvg: 4.465 atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } atom: 425 36I-HB B 1.6 ambi=1 { CB:43.52 } ::sumAvg: 4.485 atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } atom: 428 36I-HG2 G2 0.78 ambi=1 { CG2:17.095 } ::sumAvg: 3.72 atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } ::sumAvg: 4.365 atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } ::sumAvg: 4.365 atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } atom: 449 38Q-HG2 G 2.514 ambi=2 { CG:35.394 } :: atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } atom: 450 38Q-HG3 G 2.271 ambi=2 { CG:35.394 } ::sumAvg: 4.26 atom: 423 36I-H N 8.734 ambi=1 { N:119.897 } atom: 284 25K-HA A 4.5 ambi=1 { CA:55.877 } ::sumAvg: 4.92 atom: 451 38Q-HE21 E2 7.111 ambi=1 { NE2:111.718 } atom: 284 25K-HA A 4.5 ambi=1 { CA:55.877 } ::sumAvg: 4.36 atom: 423 36I-H N 8.734 ambi=1 { N:119.897 } atom: 285 25K-HB2 B 2.021 ambi=2 { CB:34.505 } :: atom: 423 36I-H N 8.734 ambi=1 { N:119.897 } atom: 286 25K-HB3 B 1.721 ambi=2 { CB:34.505 } ::sumAvg: 3.03 atom: 423 36I-H N 8.734 ambi=1 { N:119.897 } atom: 287 25K-HG2 G 1.332 ambi=2 { CG:24.799 } :: atom: 423 36I-H N 8.734 ambi=1 { N:119.897 } atom: 288 25K-HG3 G 1.27 ambi=2 { CG:24.799 } ::sumAvg: 4.845 atom: 451 38Q-HE21 E2 7.111 ambi=1 { NE2:111.718 } atom: 287 25K-HG2 G 1.332 ambi=2 { CG:24.799 } :: atom: 452 38Q-HE22 E2 6.99 ambi=1 { NE2:111.718 } atom: 287 25K-HG2 G 1.332 ambi=2 { CG:24.799 } :: atom: 451 38Q-HE21 E2 7.111 ambi=1 { NE2:111.718 } atom: 288 25K-HG3 G 1.27 ambi=2 { CG:24.799 } :: atom: 452 38Q-HE22 E2 6.99 ambi=1 { NE2:111.718 } atom: 288 25K-HG3 G 1.27 ambi=2 { CG:24.799 } ::sumAvg: 3.06 atom: 300 26Q-H N 8.731 ambi=1 { N:125.568 } atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } ::sumAvg: 4.735 atom: 315 27K-H N 9.388 ambi=1 { N:125.825 } atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } ::sumAvg: 4.84 atom: 451 38Q-HE21 E2 7.111 ambi=1 { NE2:111.718 } atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } :: atom: 452 38Q-HE22 E2 6.99 ambi=1 { NE2:111.718 } atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } ::sumAvg: 3.845 atom: 306 26Q-HE21 E2 7.351 ambi=1 { NE2:112.062 } atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } :: atom: 307 26Q-HE22 E2 6.872 ambi=1 { NE2:112.062 } atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } ::sumAvg: 4.32 atom: 315 27K-H N 9.388 ambi=1 { N:125.825 } atom: 302 26Q-QB B 1.927 ambi=2 { CB:32.296 } ::sumAvg: 3.825 atom: 306 26Q-HE21 E2 7.351 ambi=1 { NE2:112.062 } atom: 315 27K-H N 9.388 ambi=1 { N:125.825 } ::sumAvg: 4.53 atom: 315 27K-H N 9.388 ambi=1 { N:125.825 } atom: 306 26Q-HE21 E2 7.351 ambi=1 { NE2:112.062 } ::sumAvg: 4.53 atom: 306 26Q-HE21 E2 7.351 ambi=1 { NE2:112.062 } atom: 387 33C-HB2 B 2.986 ambi=2 { CB:28.535 } :: atom: 306 26Q-HE21 E2 7.351 ambi=1 { NE2:112.062 } atom: 388 33C-HB3 B 2.636 ambi=2 { CB:28.535 } ::sumAvg: 4.93 atom: 315 27K-H N 9.388 ambi=1 { N:125.825 } atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } ::sumAvg: 4.76 atom: 315 27K-H N 9.388 ambi=1 { N:125.825 } atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } :: atom: 315 27K-H N 9.388 ambi=1 { N:125.825 } atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } ::sumAvg: 4.21 atom: 315 27K-H N 9.388 ambi=1 { N:125.825 } atom: 398 34I-HG2 G2 0.816 ambi=1 { CG2:19.869 } ::sumAvg: 4.295 atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } atom: 319 27K-HG2 G 1.404 ambi=2 { CG:24.78 } :: atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } atom: 320 27K-HG3 G 1.345 ambi=2 { CG:24.78 } ::sumAvg: 4.47 atom: 393 34I-H N 9.284 ambi=1 { N:128.931 } atom: 319 27K-HG2 G 1.404 ambi=2 { CG:24.78 } :: atom: 393 34I-H N 9.284 ambi=1 { N:128.931 } atom: 320 27K-HG3 G 1.345 ambi=2 { CG:24.78 } ::sumAvg: 4.565 atom: 332 28V-H N 8.692 ambi=1 { N:124.76 } atom: 323 27K-QE E 2.999 ambi=2 { CE:42.076 } ::sumAvg: 4.45 atom: 332 28V-H N 8.692 ambi=1 { N:124.76 } atom: 393 34I-H N 9.284 ambi=1 { N:128.931 } ::sumAvg: 4.6 atom: 393 34I-H N 9.284 ambi=1 { N:128.931 } atom: 332 28V-H N 8.692 ambi=1 { N:124.76 } ::sumAvg: 4.6 atom: 385 33C-H N 9.093 ambi=1 { N:120.683 } atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } ::sumAvg: 4.99 atom: 385 33C-H N 9.093 ambi=1 { N:120.683 } atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } :: atom: 385 33C-H N 9.093 ambi=1 { N:120.683 } atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } ::sumAvg: 4.39 atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } :: atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } ::sumAvg: 4.135 atom: 393 34I-H N 9.284 ambi=1 { N:128.931 } atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } ::sumAvg: 3.66 atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } :: atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } ::sumAvg: 2.895 atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } ::sumAvg: 4.855 atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } :: atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } ::sumAvg: 4.915 atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } atom: 345 29E-HB2 B 1.835 ambi=2 { CB:31.126 } :: atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } atom: 346 29E-HB3 B 1.65 ambi=2 { CB:31.126 } ::sumAvg: 4.54 atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } atom: 347 29E-QG G 1.987 ambi=2 { CG:35.711 } ::sumAvg: 4.995 atom: 1129 97V-H N 7.749 ambi=1 { N:123.448 } atom: 347 29E-QG G 1.987 ambi=2 { CG:35.711 } ::sumAvg: 4.505 atom: 354 30G-H N 8.878 ambi=1 { N:118.387 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } ::sumAvg: 4.675 atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } atom: 354 30G-H N 8.878 ambi=1 { N:118.387 } ::sumAvg: 4.675 atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } :: atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } ::sumAvg: 3.68 atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } ::sumAvg: 4.26 atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } :: atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } ::sumAvg: 4.095 atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } :: atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } ::sumAvg: 4.055 atom: 1001 85G-H N 7.872 ambi=1 { N:106.263 } atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } :: atom: 1001 85G-H N 7.872 ambi=1 { N:106.263 } atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } ::sumAvg: 4.77 atom: 1007 86H-H N 7.598 ambi=1 { N:114.515 } atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } :: atom: 1007 86H-H N 7.598 ambi=1 { N:114.515 } atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } ::sumAvg: 4.815 atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } :: atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } atom: 363 31P-HG3 G 1.685 ambi=2 { CG:27.35 } ::sumAvg: 3.32 atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } :: atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } atom: 363 31P-HG3 G 1.685 ambi=2 { CG:27.35 } ::sumAvg: 3.86 atom: 385 33C-H N 9.093 ambi=1 { N:120.683 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } ::sumAvg: 4.45 atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } ::sumAvg: 4.875 atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } ::sumAvg: 4.805 atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } ::sumAvg: 4.805 atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } :: atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } ::sumAvg: 4.665 atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } ::sumAvg: 4.595 atom: 921 78S-H N 9.089 ambi=1 { N:119.79 } atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } ::sumAvg: 4.77 atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } ::sumAvg: 2.99 atom: 385 33C-H N 9.093 ambi=1 { N:120.683 } atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } ::sumAvg: 4.57 atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } ::sumAvg: 4.59 atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 4.53 atom: 921 78S-H N 9.089 ambi=1 { N:119.79 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 921 78S-H N 9.089 ambi=1 { N:119.79 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 4.38 atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 3.925 atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 4.865 atom: 1054 90D-H N 7.697 ambi=1 { N:119.339 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 1054 90D-H N 7.697 ambi=1 { N:119.339 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 4.8 atom: 385 33C-H N 9.093 ambi=1 { N:120.683 } atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } ::sumAvg: 4.815 atom: 385 33C-H N 9.093 ambi=1 { N:120.683 } atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } ::sumAvg: 3.435 atom: 385 33C-H N 9.093 ambi=1 { N:120.683 } atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } ::sumAvg: 4.255 atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } atom: 385 33C-H N 9.093 ambi=1 { N:120.683 } ::sumAvg: 4.255 atom: 921 78S-H N 9.089 ambi=1 { N:119.79 } atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } ::sumAvg: 4.95 atom: 921 78S-H N 9.089 ambi=1 { N:119.79 } atom: 387 33C-HB2 B 2.986 ambi=2 { CB:28.535 } :: atom: 921 78S-H N 9.089 ambi=1 { N:119.79 } atom: 388 33C-HB3 B 2.636 ambi=2 { CB:28.535 } ::sumAvg: 3.295 atom: 393 34I-H N 9.284 ambi=1 { N:128.931 } atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } ::sumAvg: 4.91 atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } ::sumAvg: 4.77 atom: 1140 98L-H N 8.163 ambi=1 { N:122.824 } atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } :: atom: 1140 98L-H N 8.163 ambi=1 { N:122.824 } atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } ::sumAvg: 4.13 atom: 407 35R-H N 9.281 ambi=1 { N:126.82 } atom: 399 34I-HD1 D1 0.9 ambi=1 { CD1:16.751 } ::sumAvg: 3.87 atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } atom: 399 34I-HD1 D1 0.9 ambi=1 { CD1:16.751 } ::sumAvg: 4.56 atom: 1140 98L-H N 8.163 ambi=1 { N:122.824 } atom: 399 34I-HD1 D1 0.9 ambi=1 { CD1:16.751 } ::sumAvg: 3.43 atom: 407 35R-H N 9.281 ambi=1 { N:126.82 } atom: 413 35R-HD2 D 3.202 ambi=2 { CD:43.904 } :: atom: 407 35R-H N 9.281 ambi=1 { N:126.82 } atom: 414 35R-HD3 D 3.025 ambi=2 { CD:43.904 } ::sumAvg: 4.83 atom: 407 35R-H N 9.281 ambi=1 { N:126.82 } atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } :: atom: 407 35R-H N 9.281 ambi=1 { N:126.82 } atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } ::sumAvg: 4.805 atom: 407 35R-H N 9.281 ambi=1 { N:126.82 } atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } ::sumAvg: 4.9 atom: 407 35R-H N 9.281 ambi=1 { N:126.82 } atom: 910 77I-HG12 G1 1.658 ambi=2 { CG1:27.37 } :: atom: 407 35R-H N 9.281 ambi=1 { N:126.82 } atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } ::sumAvg: 3.95 atom: 407 35R-H N 9.281 ambi=1 { N:126.82 } atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } ::sumAvg: 4.97 atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } atom: 408 35R-HA A 5.378 ambi=1 { CA:54.992 } ::sumAvg: 4.645 atom: 415 35R-HE E 7.077 ambi=1 { NE:84.81 } atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } :: atom: 415 35R-HE E 7.077 ambi=1 { NE:84.81 } atom: 899 76E-HB3 B 2.076 ambi=2 { CB:36.835 } ::sumAvg: 4.92 atom: 423 36I-H N 8.734 ambi=1 { N:119.897 } atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } ::sumAvg: 4.735 atom: 423 36I-H N 8.734 ambi=1 { N:119.897 } atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } :: atom: 423 36I-H N 8.734 ambi=1 { N:119.897 } atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } ::sumAvg: 4.56 atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } atom: 423 36I-H N 8.734 ambi=1 { N:119.897 } ::sumAvg: 4.95 atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } ::sumAvg: 4.025 atom: 437 37D-H N 8.075 ambi=1 { N:122.281 } atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } :: atom: 437 37D-H N 8.075 ambi=1 { N:122.281 } atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } ::sumAvg: 3.895 atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } :: atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } ::sumAvg: 4.865 atom: 437 37D-H N 8.075 ambi=1 { N:122.281 } atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } ::sumAvg: 4.39 atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } atom: 437 37D-H N 8.075 ambi=1 { N:122.281 } ::sumAvg: 4.39 atom: 437 37D-H N 8.075 ambi=1 { N:122.281 } atom: 881 74V-HB B 2.411 ambi=1 { CB:33.837 } ::sumAvg: 3.925 atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } atom: 451 38Q-HE21 E2 7.111 ambi=1 { NE2:111.718 } ::sumAvg: 4.53 atom: 451 38Q-HE21 E2 7.111 ambi=1 { NE2:111.718 } atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } ::sumAvg: 4.53 atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } atom: 467 40I-H N 6.805 ambi=1 { N:117.228 } ::sumAvg: 4.57 atom: 467 40I-H N 6.805 ambi=1 { N:117.228 } atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } ::sumAvg: 4.57 atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } :: atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } ::sumAvg: 4.74 atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } :: atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } ::sumAvg: 4.74 atom: 467 40I-H N 6.805 ambi=1 { N:117.228 } atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } ::sumAvg: 4.685 atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } atom: 467 40I-H N 6.805 ambi=1 { N:117.228 } ::sumAvg: 4.685 atom: 467 40I-H N 6.805 ambi=1 { N:117.228 } atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } ::sumAvg: 4.95 atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } atom: 468 40I-HA A 4.11 ambi=1 { CA:59.272 } :: atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } atom: 468 40I-HA A 4.11 ambi=1 { CA:59.272 } ::sumAvg: 4.88 atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } atom: 469 40I-HB B 2.059 ambi=1 { CB:36.222 } :: atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } atom: 469 40I-HB B 2.059 ambi=1 { CB:36.222 } ::sumAvg: 3.755 atom: 494 42D-H N 6.933 ambi=1 { N:113.91 } atom: 472 40I-HG2 G2 0.812 ambi=1 { CG2:16.825 } ::sumAvg: 4.905 atom: 481 41M-H N 8.477 ambi=1 { N:128.093 } atom: 496 42D-HB2 B 3.03 ambi=2 { CB:39.808 } :: atom: 481 41M-H N 8.477 ambi=1 { N:128.093 } atom: 497 42D-HB3 B 2.688 ambi=2 { CB:39.808 } ::sumAvg: 4.95 atom: 481 41M-H N 8.477 ambi=1 { N:128.093 } atom: 502 43K-H N 9.345 ambi=1 { N:117.863 } ::sumAvg: 4.845 atom: 481 41M-H N 8.477 ambi=1 { N:128.093 } atom: 510 43K-HE2 E 3.199 ambi=2 { CE:42.547 } :: atom: 481 41M-H N 8.477 ambi=1 { N:128.093 } atom: 511 43K-HE3 E 3.072 ambi=2 { CE:42.547 } ::sumAvg: 4.66 atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } atom: 481 41M-H N 8.477 ambi=1 { N:128.093 } :: atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } atom: 481 41M-H N 8.477 ambi=1 { N:128.093 } ::sumAvg: 4.415 atom: 502 43K-H N 9.345 ambi=1 { N:117.863 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } ::sumAvg: 3.645 atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } :: atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } ::sumAvg: 4.585 atom: 1239 107N-H N 7.116 ambi=1 { N:112.783 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } ::sumAvg: 4.48 atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } atom: 483 41M-HB2 B 2.095 ambi=2 { CB:37.139 } :: atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } atom: 483 41M-HB2 B 2.095 ambi=2 { CB:37.139 } :: atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } atom: 484 41M-HB3 B 1.85 ambi=2 { CB:37.139 } :: atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } atom: 484 41M-HB3 B 1.85 ambi=2 { CB:37.139 } ::sumAvg: 4.805 atom: 1219 105N-H N 6.941 ambi=1 { N:117.815 } atom: 487 41M-HE E 2.056 ambi=1 { CE:17.19 } ::sumAvg: 4.955 atom: 494 42D-H N 6.933 ambi=1 { N:113.91 } atom: 506 43K-HG2 G 1.627 ambi=2 { CG:24.793 } :: atom: 494 42D-H N 6.933 ambi=1 { N:113.91 } atom: 507 43K-HG3 G 1.332 ambi=2 { CG:24.793 } ::sumAvg: 4.555 atom: 494 42D-H N 6.933 ambi=1 { N:113.91 } atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } ::sumAvg: 4.12 atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } atom: 494 42D-H N 6.933 ambi=1 { N:113.91 } ::sumAvg: 4.12 atom: 1250 108T-H N 8.774 ambi=1 { N:119.254 } atom: 495 42D-HA A 4.484 ambi=1 { CA:55.944 } ::sumAvg: 4.65 atom: 502 43K-H N 9.345 ambi=1 { N:117.863 } atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } :: atom: 502 43K-H N 9.345 ambi=1 { N:117.863 } atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } ::sumAvg: 4.23 atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } atom: 502 43K-H N 9.345 ambi=1 { N:117.863 } :: atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } atom: 502 43K-H N 9.345 ambi=1 { N:117.863 } ::sumAvg: 4.23 atom: 1250 108T-H N 8.774 ambi=1 { N:119.254 } atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } ::sumAvg: 4.955 atom: 832 69E-H N 9.336 ambi=1 { N:122.936 } atom: 504 43K-HB2 B 1.77 ambi=2 { CB:34.597 } :: atom: 832 69E-H N 9.336 ambi=1 { N:122.936 } atom: 505 43K-HB3 B 1.661 ambi=2 { CB:34.597 } ::sumAvg: 4.24 atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } atom: 504 43K-HB2 B 1.77 ambi=2 { CB:34.597 } :: atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } atom: 504 43K-HB2 B 1.77 ambi=2 { CB:34.597 } :: atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } atom: 505 43K-HB3 B 1.661 ambi=2 { CB:34.597 } :: atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } atom: 505 43K-HB3 B 1.661 ambi=2 { CB:34.597 } ::sumAvg: 4.45 atom: 519 44N-H N 8.518 ambi=1 { N:119.441 } atom: 531 45I-H N 9.144 ambi=1 { N:125.323 } ::sumAvg: 4.37 atom: 519 44N-H N 8.518 ambi=1 { N:119.441 } atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } ::sumAvg: 4.955 atom: 519 44N-H N 8.518 ambi=1 { N:119.441 } atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } ::sumAvg: 4.485 atom: 832 69E-H N 9.336 ambi=1 { N:122.936 } atom: 519 44N-H N 8.518 ambi=1 { N:119.441 } ::sumAvg: 3.99 atom: 519 44N-H N 8.518 ambi=1 { N:119.441 } atom: 834 69E-QB B 2.182 ambi=2 { CB:29.541 } ::sumAvg: 4.24 atom: 519 44N-H N 8.518 ambi=1 { N:119.441 } atom: 1252 108T-HB B 4.208 ambi=1 { CB:69.966 } ::sumAvg: 4.695 atom: 832 69E-H N 9.336 ambi=1 { N:122.936 } atom: 521 44N-QB B 2.699 ambi=2 { CB:39.273 } ::sumAvg: 3.78 atom: 524 44N-HD22 D2 6.893 ambi=1 { ND2:113.784 } atom: 1252 108T-HB B 4.208 ambi=1 { CB:69.966 } ::sumAvg: 4.845 atom: 531 45I-H N 9.144 ambi=1 { N:125.323 } atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } ::sumAvg: 4.81 atom: 531 45I-H N 9.144 ambi=1 { N:125.323 } atom: 1241 107N-HB2 B 2.462 ambi=2 { CB:40.589 } :: atom: 531 45I-H N 9.144 ambi=1 { N:125.323 } atom: 1242 107N-HB3 B 1.965 ambi=2 { CB:40.589 } ::sumAvg: 4.495 atom: 531 45I-H N 9.144 ambi=1 { N:125.323 } atom: 1251 108T-HA A 4.56 ambi=1 { CA:62.316 } ::sumAvg: 4.965 atom: 531 45I-H N 9.144 ambi=1 { N:125.323 } atom: 1253 108T-HG2 G2 1.167 ambi=1 { CG2:21.284 } ::sumAvg: 3.935 atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } :: atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } :: atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } :: atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } ::sumAvg: 4.92 atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } ::sumAvg: 4.97 atom: 823 68T-H N 9.383 ambi=1 { N:112.406 } atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } ::sumAvg: 4.21 atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } ::sumAvg: 4.34 atom: 890 75G-H N 6.771 ambi=1 { N:105.759 } atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } ::sumAvg: 4.725 atom: 1270 110R-H N 8.999 ambi=1 { N:127.83 } atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } ::sumAvg: 4.215 atom: 545 46M-H N 9.337 ambi=1 { N:128.492 } atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } ::sumAvg: 4.71 atom: 545 46M-H N 9.337 ambi=1 { N:128.492 } atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } ::sumAvg: 4.875 atom: 545 46M-H N 9.337 ambi=1 { N:128.492 } atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } ::sumAvg: 4.865 atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } ::sumAvg: 4.97 atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } atom: 549 46M-HG2 G 2.544 ambi=2 { CG:31.977 } :: atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } atom: 550 46M-HG3 G 2.117 ambi=2 { CG:31.977 } ::sumAvg: 4.455 atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } atom: 549 46M-HG2 G 2.544 ambi=2 { CG:31.977 } :: atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } atom: 550 46M-HG3 G 2.117 ambi=2 { CG:31.977 } ::sumAvg: 4.785 atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } atom: 551 46M-HE E 1.956 ambi=1 { CE:16.53 } ::sumAvg: 4.35 atom: 558 47L-H N 8.972 ambi=1 { N:126.245 } atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } ::sumAvg: 4.34 atom: 558 47L-H N 8.972 ambi=1 { N:126.245 } atom: 1262 109V-HG1 G1 0.709 ambi=2 { CG1:22.917 } :: atom: 558 47L-H N 8.972 ambi=1 { N:126.245 } atom: 1263 109V-HG2 G2 0.754 ambi=2 { CG2:22.765 } ::sumAvg: 4.92 atom: 558 47L-H N 8.972 ambi=1 { N:126.245 } atom: 1272 110R-HB2 B 1.838 ambi=2 { CB:33.651 } :: atom: 558 47L-H N 8.972 ambi=1 { N:126.245 } atom: 1273 110R-HB3 B 1.753 ambi=2 { CB:33.651 } ::sumAvg: 4.1 atom: 558 47L-H N 8.972 ambi=1 { N:126.245 } atom: 1275 110R-QG G 1.6305 ambi=2 { CG:27.929 } ::sumAvg: 4.465 atom: 558 47L-H N 8.972 ambi=1 { N:126.245 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } ::sumAvg: 4.7 atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } ::sumAvg: 4.835 atom: 1270 110R-H N 8.999 ambi=1 { N:127.83 } atom: 563 47L-HD1 D1 0.658 ambi=2 { CD1:25.448 } :: atom: 1270 110R-H N 8.999 ambi=1 { N:127.83 } atom: 564 47L-HD2 D2 0.578 ambi=2 { CD2:24.166 } ::sumAvg: 4.465 atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } atom: 563 47L-HD1 D1 0.658 ambi=2 { CD1:25.448 } :: atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } atom: 564 47L-HD2 D2 0.578 ambi=2 { CD2:24.166 } ::sumAvg: 4.845 atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } ::sumAvg: 4.465 atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } ::sumAvg: 4.955 atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } ::sumAvg: 4.575 atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } ::sumAvg: 4.84 atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } atom: 791 65R-HB2 B 2.05 ambi=2 {attached_atom is not_assigned} :: atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } atom: 792 65R-HB3 B 0.986 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.795 atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } ::sumAvg: 4.605 atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } ::sumAvg: 4.625 atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } ::sumAvg: 4.8 atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } ::sumAvg: 4.8 atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } atom: 578 48K-HD2 D 1.379 ambi=2 { CD:29.84 } :: atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } atom: 579 48K-HD3 D 1.181 ambi=2 { CD:29.84 } ::sumAvg: 4.99 atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } ::sumAvg: 2.92 atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } ::sumAvg: 4.35 atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } ::sumAvg: 4.885 atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } ::sumAvg: 4.735 atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } ::sumAvg: 4.065 atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } ::sumAvg: 4.62 atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } atom: 779 64L-HG G 1.884 ambi=1 { CG:26.197 } ::sumAvg: 4.415 atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } ::sumAvg: 4.885 atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } ::sumAvg: 4.885 atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } ::sumAvg: 3.7 atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } atom: 1333 115L-HG G 1.629 ambi=1 { CG:27.486 } ::sumAvg: 4.03 atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } ::sumAvg: 4.71 atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } ::sumAvg: 4.745 atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } ::sumAvg: 3.24 atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } ::sumAvg: 4.83 atom: 747 62I-H N 8.652 ambi=1 { N:127.608 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } ::sumAvg: 4.53 atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } ::sumAvg: 4.03 atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } ::sumAvg: 4.315 atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } atom: 600 50N-HD21 D2 7.862 ambi=1 { ND2:110.553 } ::sumAvg: 4.86 atom: 600 50N-HD21 D2 7.862 ambi=1 { ND2:110.553 } atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } ::sumAvg: 4.86 atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } :: atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } ::sumAvg: 4.63 atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } atom: 752 62I-HG2 G2 0.987 ambi=1 { CG2:17.17 } ::sumAvg: 4.895 atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } ::sumAvg: 3.5 atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } :: atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } ::sumAvg: 4.57 atom: 600 50N-HD21 D2 7.862 ambi=1 { ND2:110.553 } atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } :: atom: 601 50N-HD22 D2 6.511 ambi=1 { ND2:110.553 } atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } ::sumAvg: 4.225 atom: 747 62I-H N 8.652 ambi=1 { N:127.608 } atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } :: atom: 747 62I-H N 8.652 ambi=1 { N:127.608 } atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } ::sumAvg: 4.705 atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } :: atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } ::sumAvg: 3.475 atom: 600 50N-HD21 D2 7.862 ambi=1 { ND2:110.553 } atom: 752 62I-HG2 G2 0.987 ambi=1 { CG2:17.17 } ::sumAvg: 4.31 atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } ::sumAvg: 4.515 atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } ::sumAvg: 4.34 atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } :: atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } ::sumAvg: 4.405 atom: 724 60T-H N 7.416 ambi=1 { N:112.339 } atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } :: atom: 724 60T-H N 7.416 ambi=1 { N:112.339 } atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } ::sumAvg: 3.77 atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } :: atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } ::sumAvg: 4.59 atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } :: atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } ::sumAvg: 4.435 atom: 634 53V-H N 8.67 ambi=1 { N:119.131 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } ::sumAvg: 4.59 atom: 724 60T-H N 7.416 ambi=1 { N:112.339 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } ::sumAvg: 4.465 atom: 747 62I-H N 8.652 ambi=1 { N:127.608 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } ::sumAvg: 4.36 atom: 1329 115L-H N 8.218 ambi=1 { N:126.091 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } ::sumAvg: 4.21 atom: 1329 115L-H N 8.218 ambi=1 { N:126.091 } atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } ::sumAvg: 4.255 atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } ::sumAvg: 4.53 atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } :: atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } ::sumAvg: 4 atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } ::sumAvg: 4.915 atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } atom: 726 60T-HB B 3.988 ambi=1 { CB:72.115 } ::sumAvg: 3.955 atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } ::sumAvg: 4.55 atom: 747 62I-H N 8.652 ambi=1 { N:127.608 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } ::sumAvg: 4.445 atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } ::sumAvg: 4.845 atom: 724 60T-H N 7.416 ambi=1 { N:112.339 } atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } ::sumAvg: 4.77 atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } :: atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } ::sumAvg: 4.64 atom: 724 60T-H N 7.416 ambi=1 { N:112.339 } atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } :: atom: 724 60T-H N 7.416 ambi=1 { N:112.339 } atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } ::sumAvg: 3.535 atom: 634 53V-H N 8.67 ambi=1 { N:119.131 } atom: 647 54I-HB B 1.524 ambi=1 { CB:40.965 } ::sumAvg: 4.905 atom: 634 53V-H N 8.67 ambi=1 { N:119.131 } atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } ::sumAvg: 4.21 atom: 659 55F-H N 8.856 ambi=1 { N:124.453 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 659 55F-H N 8.856 ambi=1 { N:124.453 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } ::sumAvg: 4.095 atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } ::sumAvg: 4.19 atom: 645 54I-H N 8.661 ambi=1 { N:123.454 } atom: 661 55F-HB2 B 3.377 ambi=2 { CB:36.653 } :: atom: 645 54I-H N 8.661 ambi=1 { N:123.454 } atom: 662 55F-HB3 B 3.197 ambi=2 { CB:36.653 } ::sumAvg: 4.75 atom: 677 56D-H N 8.634 ambi=1 { N:114.814 } atom: 648 54I-HG12 G1 1.164 ambi=2 { CG1:27.69 } :: atom: 677 56D-H N 8.634 ambi=1 { N:114.814 } atom: 649 54I-HG13 G1 0.709 ambi=2 { CG1:27.69 } ::sumAvg: 4.885 atom: 677 56D-H N 8.634 ambi=1 { N:114.814 } atom: 650 54I-HG2 G2 0.733 ambi=1 { CG2:16.838 } ::sumAvg: 4.39 atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } atom: 650 54I-HG2 G2 0.733 ambi=1 { CG2:16.838 } ::sumAvg: 4.105 atom: 659 55F-H N 8.856 ambi=1 { N:124.453 } atom: 665 55F-QE E 7.384 ambi=3 { CE1:131.7 } ::sumAvg: 4.685 atom: 659 55F-H N 8.856 ambi=1 { N:124.453 } atom: 685 57R-H N 8.191 ambi=1 { N:117.052 } ::sumAvg: 4.45 atom: 685 57R-H N 8.191 ambi=1 { N:117.052 } atom: 659 55F-H N 8.856 ambi=1 { N:124.453 } ::sumAvg: 4.45 atom: 685 57R-H N 8.191 ambi=1 { N:117.052 } atom: 661 55F-HB2 B 3.377 ambi=2 { CB:36.653 } :: atom: 685 57R-H N 8.191 ambi=1 { N:117.052 } atom: 662 55F-HB3 B 3.197 ambi=2 { CB:36.653 } ::sumAvg: 3.785 atom: 677 56D-H N 8.634 ambi=1 { N:114.814 } atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } ::sumAvg: 4.915 atom: 677 56D-H N 8.634 ambi=1 { N:114.814 } atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } :: atom: 677 56D-H N 8.634 ambi=1 { N:114.814 } atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } ::sumAvg: 4.79 atom: 677 56D-H N 8.634 ambi=1 { N:114.814 } atom: 689 57R-HG2 G 1.886 ambi=2 { CG:26.218 } :: atom: 677 56D-H N 8.634 ambi=1 { N:114.814 } atom: 690 57R-HG3 G 1.837 ambi=2 { CG:26.218 } ::sumAvg: 3.68 atom: 677 56D-H N 8.634 ambi=1 { N:114.814 } atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } ::sumAvg: 4.98 atom: 685 57R-H N 8.191 ambi=1 { N:117.052 } atom: 679 56D-HB2 B 2.956 ambi=2 { CB:40.549 } :: atom: 685 57R-H N 8.191 ambi=1 { N:117.052 } atom: 680 56D-HB3 B 2.858 ambi=2 { CB:40.549 } ::sumAvg: 4.185 atom: 685 57R-H N 8.191 ambi=1 { N:117.052 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } ::sumAvg: 4.03 atom: 685 57R-H N 8.191 ambi=1 { N:117.052 } atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } ::sumAvg: 4.51 atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } atom: 689 57R-HG2 G 1.886 ambi=2 { CG:26.218 } :: atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } atom: 690 57R-HG3 G 1.837 ambi=2 { CG:26.218 } ::sumAvg: 4.085 atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } atom: 691 57R-HD2 D 3.328 ambi=2 { CD:43.825 } :: atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } atom: 692 57R-HD3 D 3.309 ambi=2 { CD:43.825 } ::sumAvg: 4.34 atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } atom: 703 58L-HG G 1.599 ambi=1 { CG:27.879 } ::sumAvg: 4.47 atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } ::sumAvg: 4.515 atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } ::sumAvg: 4.515 atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } atom: 1031 88I-HB B 2.169 ambi=1 { CB:37.157 } ::sumAvg: 4.57 atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } ::sumAvg: 4.84 atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } atom: 1391 119A-HA A 4.669 ambi=1 { CA:53.548 } ::sumAvg: 3.905 atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } ::sumAvg: 3.93 atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } :: atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } ::sumAvg: 4.41 atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } ::sumAvg: 3.02 atom: 747 62I-H N 8.652 ambi=1 { N:127.608 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 747 62I-H N 8.652 ambi=1 { N:127.608 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } ::sumAvg: 4.88 atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } ::sumAvg: 4.215 atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } atom: 1035 88I-HD1 D1 1.279 ambi=1 { CD1:14.497 } ::sumAvg: 4.955 atom: 724 60T-H N 7.416 ambi=1 { N:112.339 } atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } ::sumAvg: 4.315 atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 724 60T-H N 7.416 ambi=1 { N:112.339 } ::sumAvg: 4.315 atom: 724 60T-H N 7.416 ambi=1 { N:112.339 } atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } ::sumAvg: 4.785 atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } ::sumAvg: 2.225 atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 726 60T-HB B 3.988 ambi=1 { CB:72.115 } ::sumAvg: 4.055 atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } ::sumAvg: 2.415 atom: 747 62I-H N 8.652 ambi=1 { N:127.608 } atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } ::sumAvg: 4.43 atom: 1007 86H-H N 7.598 ambi=1 { N:114.515 } atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } ::sumAvg: 4.175 atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } ::sumAvg: 2.915 atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } :: atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } ::sumAvg: 2.41 atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } ::sumAvg: 4.355 atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } :: atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } ::sumAvg: 4.25 atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 747 62I-H N 8.652 ambi=1 { N:127.608 } ::sumAvg: 4.535 atom: 747 62I-H N 8.652 ambi=1 { N:127.608 } atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } ::sumAvg: 4.535 atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.23 atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } ::sumAvg: 3.025 atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } :: atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } ::sumAvg: 3.16 atom: 747 62I-H N 8.652 ambi=1 { N:127.608 } atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } :: atom: 747 62I-H N 8.652 ambi=1 { N:127.608 } atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } ::sumAvg: 4.09 atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } ::sumAvg: 4.13 atom: 907 77I-H N 9.053 ambi=1 { N:123.552 } atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } :: atom: 907 77I-H N 9.053 ambi=1 { N:123.552 } atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } ::sumAvg: 4.965 atom: 747 62I-H N 8.652 ambi=1 { N:127.608 } atom: 762 63L-HA A 4.523 ambi=1 { CA:55.779 } ::sumAvg: 4.685 atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } ::sumAvg: 4.165 atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } ::sumAvg: 4.695 atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } :: atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } ::sumAvg: 4.83 atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } atom: 765 63L-HG G 1.537 ambi=1 { CG:28.163 } ::sumAvg: 4.395 atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } ::sumAvg: 4.3 atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } ::sumAvg: 4.3 atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } ::sumAvg: 4.84 atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } :: atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } ::sumAvg: 4.345 atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } ::sumAvg: 4.165 atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } :: atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } ::sumAvg: 4.615 atom: 907 77I-H N 9.053 ambi=1 { N:123.552 } atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } ::sumAvg: 4.855 atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } ::sumAvg: 4.395 atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } ::sumAvg: 4.965 atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } ::sumAvg: 4.985 atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } ::sumAvg: 4.92 atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } atom: 907 77I-H N 9.053 ambi=1 { N:123.552 } ::sumAvg: 4.855 atom: 907 77I-H N 9.053 ambi=1 { N:123.552 } atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } ::sumAvg: 4.855 atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } ::sumAvg: 4.845 atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } :: atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } ::sumAvg: 4.32 atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 4.44 atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } ::sumAvg: 4.28 atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } ::sumAvg: 4.465 atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } atom: 867 73I-HA A 3.957 ambi=1 { CA:61.244 } ::sumAvg: 4.63 atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } :: atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } ::sumAvg: 4.84 atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } ::sumAvg: 4.095 atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } ::sumAvg: 4.095 atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } :: atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } ::sumAvg: 3.91 atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } ::sumAvg: 4.575 atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } ::sumAvg: 4.575 atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } :: atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } ::sumAvg: 4.935 atom: 907 77I-H N 9.053 ambi=1 { N:123.552 } atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } ::sumAvg: 4.95 atom: 890 75G-H N 6.771 ambi=1 { N:105.759 } atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } ::sumAvg: 4.95 atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } ::sumAvg: 4.51 atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } ::sumAvg: 4.975 atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } atom: 867 73I-HA A 3.957 ambi=1 { CA:61.244 } ::sumAvg: 4.64 atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 4.945 atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } ::sumAvg: 4.85 atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } ::sumAvg: 4.85 atom: 890 75G-H N 6.771 ambi=1 { N:105.759 } atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } ::sumAvg: 4.63 atom: 854 71G-H N 8.145 ambi=1 { N:108.093 } atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } :: atom: 854 71G-H N 8.145 ambi=1 { N:108.093 } atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } ::sumAvg: 4.265 atom: 860 72A-H N 7.408 ambi=1 { N:122.83 } atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } :: atom: 860 72A-H N 7.408 ambi=1 { N:122.83 } atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } ::sumAvg: 4.155 atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } :: atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } ::sumAvg: 4.985 atom: 854 71G-H N 8.145 ambi=1 { N:108.093 } atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } ::sumAvg: 4.43 atom: 823 68T-H N 9.383 ambi=1 { N:112.406 } atom: 855 71G-HA2 A 4.403 ambi=2 { CA:45.349 } :: atom: 823 68T-H N 9.383 ambi=1 { N:112.406 } atom: 856 71G-HA3 A 3.746 ambi=2 { CA:45.349 } ::sumAvg: 4.055 atom: 823 68T-H N 9.383 ambi=1 { N:112.406 } atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } ::sumAvg: 4.59 atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } atom: 823 68T-H N 9.383 ambi=1 { N:112.406 } ::sumAvg: 4.68 atom: 854 71G-H N 8.145 ambi=1 { N:108.093 } atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } ::sumAvg: 4.465 atom: 854 71G-H N 8.145 ambi=1 { N:108.093 } atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } ::sumAvg: 4.01 atom: 854 71G-H N 8.145 ambi=1 { N:108.093 } atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } ::sumAvg: 4.51 atom: 860 72A-H N 7.408 ambi=1 { N:122.83 } atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } ::sumAvg: 3.73 atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } ::sumAvg: 4.18 atom: 832 69E-H N 9.336 ambi=1 { N:122.936 } atom: 845 70E-HB2 B 2.248 ambi=2 { CB:29.19 } :: atom: 832 69E-H N 9.336 ambi=1 { N:122.936 } atom: 846 70E-HB3 B 2.008 ambi=2 { CB:29.19 } ::sumAvg: 4.85 atom: 843 70E-H N 8.117 ambi=1 { N:115.769 } atom: 834 69E-QB B 2.182 ambi=2 { CB:29.541 } ::sumAvg: 3.265 atom: 854 71G-H N 8.145 ambi=1 { N:108.093 } atom: 834 69E-QB B 2.182 ambi=2 { CB:29.541 } ::sumAvg: 4.675 atom: 843 70E-H N 8.117 ambi=1 { N:115.769 } atom: 862 72A-HB B 1.376 ambi=1 { CB:19.39 } ::sumAvg: 4.47 atom: 854 71G-H N 8.145 ambi=1 { N:108.093 } atom: 847 70E-HG2 G 2.461 ambi=2 { CG:37.126 } :: atom: 854 71G-H N 8.145 ambi=1 { N:108.093 } atom: 848 70E-HG3 G 2.307 ambi=2 { CG:37.126 } ::sumAvg: 4.555 atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } ::sumAvg: 4.17 atom: 890 75G-H N 6.771 ambi=1 { N:105.759 } atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } ::sumAvg: 4.87 atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 4.86 atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } :: atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } ::sumAvg: 4.31 atom: 890 75G-H N 6.771 ambi=1 { N:105.759 } atom: 881 74V-HB B 2.411 ambi=1 { CB:33.837 } ::sumAvg: 4.16 atom: 890 75G-H N 6.771 ambi=1 { N:105.759 } atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } ::sumAvg: 4.365 atom: 890 75G-H N 6.771 ambi=1 { N:105.759 } atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } ::sumAvg: 4.845 atom: 890 75G-H N 6.771 ambi=1 { N:105.759 } atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } :: atom: 890 75G-H N 6.771 ambi=1 { N:105.759 } atom: 899 76E-HB3 B 2.076 ambi=2 { CB:36.835 } ::sumAvg: 4.56 atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } ::sumAvg: 4.77 atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } atom: 910 77I-HG12 G1 1.658 ambi=2 { CG1:27.37 } :: atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } ::sumAvg: 4.34 atom: 921 78S-H N 9.089 ambi=1 { N:119.79 } atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } :: atom: 921 78S-H N 9.089 ambi=1 { N:119.79 } atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } ::sumAvg: 3.93 atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } atom: 913 77I-HD1 D1 0.704 ambi=1 { CD1:14.625 } ::sumAvg: 4.68 atom: 1129 97V-H N 7.749 ambi=1 { N:123.448 } atom: 913 77I-HD1 D1 0.704 ambi=1 { CD1:14.625 } ::sumAvg: 4.845 atom: 1140 98L-H N 8.163 ambi=1 { N:122.824 } atom: 913 77I-HD1 D1 0.704 ambi=1 { CD1:14.625 } ::sumAvg: 3.53 atom: 1154 99I-H N 9.085 ambi=1 { N:118.036 } atom: 913 77I-HD1 D1 0.704 ambi=1 { CD1:14.625 } ::sumAvg: 4.67 atom: 921 78S-H N 9.089 ambi=1 { N:119.79 } atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } ::sumAvg: 4.995 atom: 921 78S-H N 9.089 ambi=1 { N:119.79 } atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } :: atom: 921 78S-H N 9.089 ambi=1 { N:119.79 } atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } ::sumAvg: 4.605 atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } :: atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } ::sumAvg: 4.855 atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } atom: 958 81P-HD2 D 3.972 ambi=2 { CD:50.973 } :: atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } atom: 959 81P-HD3 D 3.879 ambi=2 { CD:50.973 } ::sumAvg: 4.805 atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } atom: 973 83F-H N 7.723 ambi=1 { N:120.396 } ::sumAvg: 4.88 atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } atom: 975 83F-HB2 B 3.329 ambi=2 { CB:40.269 } :: atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } atom: 976 83F-HB3 B 3.071 ambi=2 { CB:40.269 } ::sumAvg: 3.81 atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } atom: 977 83F-QD D 7.327 ambi=3 { CD1:132.153 } ::sumAvg: 4.775 atom: 965 82S-H N 7.82 ambi=1 { N:109.804 } atom: 942 80L-HB2 B 1.746 ambi=2 { CB:42.359 } :: atom: 965 82S-H N 7.82 ambi=1 { N:109.804 } atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } ::sumAvg: 4.33 atom: 973 83F-H N 7.723 ambi=1 { N:120.396 } atom: 945 80L-HD1 D1 0.892 ambi=2 { CD1:26.248 } :: atom: 973 83F-H N 7.723 ambi=1 { N:120.396 } atom: 946 80L-HD2 D2 0.971 ambi=2 { CD2:24.068 } ::sumAvg: 4.85 atom: 973 83F-H N 7.723 ambi=1 { N:120.396 } atom: 953 81P-HA A 4.441 ambi=1 { CA:64.472 } ::sumAvg: 4.08 atom: 965 82S-H N 7.82 ambi=1 { N:109.804 } atom: 954 81P-HB2 B 2.398 ambi=2 { CB:31.797 } :: atom: 965 82S-H N 7.82 ambi=1 { N:109.804 } atom: 955 81P-HB3 B 2.034 ambi=2 { CB:31.797 } ::sumAvg: 3.595 atom: 965 82S-H N 7.82 ambi=1 { N:109.804 } atom: 956 81P-QG G 2.116 ambi=2 { CG:27.414 } ::sumAvg: 3.63 atom: 965 82S-H N 7.82 ambi=1 { N:109.804 } atom: 958 81P-HD2 D 3.972 ambi=2 { CD:50.973 } :: atom: 965 82S-H N 7.82 ambi=1 { N:109.804 } atom: 959 81P-HD3 D 3.879 ambi=2 { CD:50.973 } ::sumAvg: 4.165 atom: 965 82S-H N 7.82 ambi=1 { N:109.804 } atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } ::sumAvg: 4.79 atom: 965 82S-H N 7.82 ambi=1 { N:109.804 } atom: 975 83F-HB2 B 3.329 ambi=2 { CB:40.269 } :: atom: 965 82S-H N 7.82 ambi=1 { N:109.804 } atom: 976 83F-HB3 B 3.071 ambi=2 { CB:40.269 } ::sumAvg: 4.71 atom: 965 82S-H N 7.82 ambi=1 { N:109.804 } atom: 977 83F-QD D 7.327 ambi=3 { CD1:132.153 } ::sumAvg: 4.08 atom: 973 83F-H N 7.723 ambi=1 { N:120.396 } atom: 967 82S-HB2 B 3.819 ambi=2 { CB:62.784 } :: atom: 973 83F-H N 7.723 ambi=1 { N:120.396 } atom: 968 82S-HB3 B 3.734 ambi=2 { CB:62.784 } ::sumAvg: 3.425 atom: 973 83F-H N 7.723 ambi=1 { N:120.396 } atom: 989 84P-HA A 4.553 ambi=1 { CA:63.843 } ::sumAvg: 4.875 atom: 1001 85G-H N 7.872 ambi=1 { N:106.263 } atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } ::sumAvg: 3.865 atom: 1001 85G-H N 7.872 ambi=1 { N:106.263 } atom: 994 84P-HD2 D 3.811 ambi=2 { CD:50.487 } :: atom: 1001 85G-H N 7.872 ambi=1 { N:106.263 } atom: 995 84P-HD3 D 3.648 ambi=2 { CD:50.487 } ::sumAvg: 3.565 atom: 1001 85G-H N 7.872 ambi=1 { N:106.263 } atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } :: atom: 1001 85G-H N 7.872 ambi=1 { N:106.263 } atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } ::sumAvg: 4.785 atom: 1007 86H-H N 7.598 ambi=1 { N:114.515 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.585 atom: 1007 86H-H N 7.598 ambi=1 { N:114.515 } atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } ::sumAvg: 4.385 atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } atom: 1007 86H-H N 7.598 ambi=1 { N:114.515 } ::sumAvg: 4.385 atom: 1007 86H-H N 7.598 ambi=1 { N:114.515 } atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } ::sumAvg: 4.475 atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.1 atom: 1062 91V-H N 7.812 ambi=1 { N:120.703 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.99 atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } atom: 1029 88I-H N 9.11 ambi=1 { N:120.338 } ::sumAvg: 4.485 atom: 1029 88I-H N 9.11 ambi=1 { N:120.338 } atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } ::sumAvg: 4.485 atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } atom: 1043 89E-H N 7.899 ambi=1 { N:121.84 } ::sumAvg: 4.69 atom: 1043 89E-H N 7.899 ambi=1 { N:121.84 } atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } ::sumAvg: 4.69 atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } atom: 1062 91V-H N 7.812 ambi=1 { N:120.703 } ::sumAvg: 4.725 atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } :: atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } ::sumAvg: 4.61 atom: 1054 90D-H N 7.697 ambi=1 { N:119.339 } atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } ::sumAvg: 4.59 atom: 1029 88I-H N 9.11 ambi=1 { N:120.338 } atom: 1045 89E-HB2 B 1.964 ambi=2 { CB:28.41 } :: atom: 1029 88I-H N 9.11 ambi=1 { N:120.338 } atom: 1046 89E-HB3 B 1.932 ambi=2 { CB:28.41 } ::sumAvg: 4.745 atom: 1029 88I-H N 9.11 ambi=1 { N:120.338 } atom: 1047 89E-HG2 G 2.389 ambi=2 { CG:36.457 } :: atom: 1029 88I-H N 9.11 ambi=1 { N:120.338 } atom: 1048 89E-HG3 G 2.315 ambi=2 { CG:36.457 } ::sumAvg: 4.475 atom: 1029 88I-H N 9.11 ambi=1 { N:120.338 } atom: 1054 90D-H N 7.697 ambi=1 { N:119.339 } ::sumAvg: 4.25 atom: 1029 88I-H N 9.11 ambi=1 { N:120.338 } atom: 1062 91V-H N 7.812 ambi=1 { N:120.703 } ::sumAvg: 4.98 atom: 1062 91V-H N 7.812 ambi=1 { N:120.703 } atom: 1029 88I-H N 9.11 ambi=1 { N:120.338 } ::sumAvg: 4.98 atom: 1054 90D-H N 7.697 ambi=1 { N:119.339 } atom: 1030 88I-HA A 3.896 ambi=1 { CA:64.241 } ::sumAvg: 4.17 atom: 1073 92K-H N 8.757 ambi=1 { N:119.714 } atom: 1030 88I-HA A 3.896 ambi=1 { CA:64.241 } ::sumAvg: 4.325 atom: 1073 92K-H N 8.757 ambi=1 { N:119.714 } atom: 1034 88I-HG2 G2 1.086 ambi=1 { CG2:16.815 } ::sumAvg: 4.96 atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } atom: 1035 88I-HD1 D1 1.279 ambi=1 { CD1:14.497 } ::sumAvg: 4.195 atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } atom: 1035 88I-HD1 D1 1.279 ambi=1 { CD1:14.497 } ::sumAvg: 4.965 atom: 1417 121G-H N 7.897 ambi=1 { N:109.129 } atom: 1035 88I-HD1 D1 1.279 ambi=1 { CD1:14.497 } ::sumAvg: 4.925 atom: 1043 89E-H N 7.899 ambi=1 { N:121.84 } atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } :: atom: 1043 89E-H N 7.899 ambi=1 { N:121.84 } atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } ::sumAvg: 4.815 atom: 1062 91V-H N 7.812 ambi=1 { N:120.703 } atom: 1044 89E-HA A 3.997 ambi=1 { CA:59.978 } ::sumAvg: 4.455 atom: 1073 92K-H N 8.757 ambi=1 { N:119.714 } atom: 1054 90D-H N 7.697 ambi=1 { N:119.339 } ::sumAvg: 4.23 atom: 1054 90D-H N 7.697 ambi=1 { N:119.339 } atom: 1090 93N-H N 8.367 ambi=1 { N:118.326 } ::sumAvg: 4.855 atom: 1090 93N-H N 8.367 ambi=1 { N:118.326 } atom: 1054 90D-H N 7.697 ambi=1 { N:119.339 } ::sumAvg: 4.855 atom: 1073 92K-H N 8.757 ambi=1 { N:119.714 } atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } ::sumAvg: 4.75 atom: 1062 91V-H N 7.812 ambi=1 { N:120.703 } atom: 1075 92K-HB2 B 1.962 ambi=2 { CB:32.22 } :: atom: 1062 91V-H N 7.812 ambi=1 { N:120.703 } atom: 1076 92K-HB3 B 1.833 ambi=2 { CB:32.22 } ::sumAvg: 4.93 atom: 1062 91V-H N 7.812 ambi=1 { N:120.703 } atom: 1090 93N-H N 8.367 ambi=1 { N:118.326 } ::sumAvg: 4.09 atom: 1062 91V-H N 7.812 ambi=1 { N:120.703 } atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } ::sumAvg: 4.47 atom: 1090 93N-H N 8.367 ambi=1 { N:118.326 } atom: 1063 91V-HA A 3.175 ambi=1 { CA:67.075 } ::sumAvg: 4.44 atom: 1109 95I-H N 8.716 ambi=1 { N:119.174 } atom: 1063 91V-HA A 3.175 ambi=1 { CA:67.075 } ::sumAvg: 4.07 atom: 1090 93N-H N 8.367 ambi=1 { N:118.326 } atom: 1064 91V-HB B 2.182 ambi=1 { CB:31.594 } ::sumAvg: 4.975 atom: 1090 93N-H N 8.367 ambi=1 { N:118.326 } atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } :: atom: 1090 93N-H N 8.367 ambi=1 { N:118.326 } atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } ::sumAvg: 4.86 atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } :: atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } ::sumAvg: 4.7 atom: 1073 92K-H N 8.757 ambi=1 { N:119.714 } atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } ::sumAvg: 4.655 atom: 1073 92K-H N 8.757 ambi=1 { N:119.714 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } ::sumAvg: 4.28 atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } atom: 1074 92K-HA A 3.754 ambi=1 { CA:61.14 } ::sumAvg: 4.505 atom: 1417 121G-H N 7.897 ambi=1 { N:109.129 } atom: 1079 92K-HD2 D 1.634 ambi=2 { CD:29.651 } :: atom: 1417 121G-H N 7.897 ambi=1 { N:109.129 } atom: 1080 92K-HD3 D 1.545 ambi=2 { CD:29.651 } ::sumAvg: 4.71 atom: 1109 95I-H N 8.716 ambi=1 { N:119.174 } atom: 1091 93N-HA A 4.484 ambi=1 { CA:56.153 } ::sumAvg: 4.505 atom: 1129 97V-H N 7.749 ambi=1 { N:123.448 } atom: 1091 93N-HA A 4.484 ambi=1 { CA:56.153 } ::sumAvg: 4.24 atom: 1129 97V-H N 7.749 ambi=1 { N:123.448 } atom: 1092 93N-HB2 B 2.942 ambi=2 { CB:38.122 } :: atom: 1129 97V-H N 7.749 ambi=1 { N:123.448 } atom: 1093 93N-HB3 B 2.845 ambi=2 { CB:38.122 } ::sumAvg: 4.735 atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } atom: 1111 95I-HB B 1.737 ambi=1 { CB:37.633 } ::sumAvg: 4.865 atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } :: atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } ::sumAvg: 4.565 atom: 1123 96G-H N 8.125 ambi=1 { N:106.409 } atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } ::sumAvg: 4.45 atom: 1123 96G-H N 8.125 ambi=1 { N:106.409 } atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } ::sumAvg: 4.46 atom: 1109 95I-H N 8.716 ambi=1 { N:119.174 } atom: 1140 98L-H N 8.163 ambi=1 { N:122.824 } ::sumAvg: 4.745 atom: 1140 98L-H N 8.163 ambi=1 { N:122.824 } atom: 1109 95I-H N 8.716 ambi=1 { N:119.174 } ::sumAvg: 4.745 atom: 1109 95I-H N 8.716 ambi=1 { N:119.174 } atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } ::sumAvg: 4.18 atom: 1123 96G-H N 8.125 ambi=1 { N:106.409 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } ::sumAvg: 3.54 atom: 1129 97V-H N 7.749 ambi=1 { N:123.448 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } ::sumAvg: 4.45 atom: 1154 99I-H N 9.085 ambi=1 { N:118.036 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } ::sumAvg: 3.975 atom: 1140 98L-H N 8.163 ambi=1 { N:122.824 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 4.66 atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } ::sumAvg: 4.27 atom: 1123 96G-H N 8.125 ambi=1 { N:106.409 } atom: 1131 97V-HB B 2.206 ambi=1 { CB:31.628 } ::sumAvg: 4.93 atom: 1123 96G-H N 8.125 ambi=1 { N:106.409 } atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } :: atom: 1123 96G-H N 8.125 ambi=1 { N:106.409 } atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } ::sumAvg: 4.99 atom: 1123 96G-H N 8.125 ambi=1 { N:106.409 } atom: 1154 99I-H N 9.085 ambi=1 { N:118.036 } ::sumAvg: 4.77 atom: 1123 96G-H N 8.125 ambi=1 { N:106.409 } atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } ::sumAvg: 4.795 atom: 1140 98L-H N 8.163 ambi=1 { N:122.824 } atom: 1124 96G-HA2 A 4.125 ambi=2 { CA:47.753 } :: atom: 1140 98L-H N 8.163 ambi=1 { N:122.824 } atom: 1125 96G-HA3 A 3.773 ambi=2 { CA:47.753 } ::sumAvg: 4.6 atom: 1154 99I-H N 9.085 ambi=1 { N:118.036 } atom: 1129 97V-H N 7.749 ambi=1 { N:123.448 } ::sumAvg: 4.295 atom: 1129 97V-H N 7.749 ambi=1 { N:123.448 } atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } ::sumAvg: 4.61 atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } atom: 1129 97V-H N 7.749 ambi=1 { N:123.448 } ::sumAvg: 4.61 atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } :: atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } ::sumAvg: 4.73 atom: 1174 101G-H N 8.143 ambi=1 { N:108.307 } atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } :: atom: 1174 101G-H N 8.143 ambi=1 { N:108.307 } atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } ::sumAvg: 4.05 atom: 1174 101G-H N 8.143 ambi=1 { N:108.307 } atom: 1141 98L-HA A 3.953 ambi=1 { CA:58.598 } ::sumAvg: 3.8 atom: 1180 102L-H N 8.153 ambi=1 { N:121.034 } atom: 1141 98L-HA A 3.953 ambi=1 { CA:58.598 } ::sumAvg: 4.465 atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } :: atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } ::sumAvg: 4.925 atom: 1180 102L-H N 8.153 ambi=1 { N:121.034 } atom: 1144 98L-HG G 1.368 ambi=1 { CG:27.152 } ::sumAvg: 4.905 atom: 1174 101G-H N 8.143 ambi=1 { N:108.307 } atom: 1154 99I-H N 9.085 ambi=1 { N:118.036 } ::sumAvg: 4.4 atom: 1180 102L-H N 8.153 ambi=1 { N:121.034 } atom: 1154 99I-H N 9.085 ambi=1 { N:118.036 } ::sumAvg: 4.81 atom: 1174 101G-H N 8.143 ambi=1 { N:108.307 } atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } ::sumAvg: 4.545 atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } ::sumAvg: 4.995 atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } :: atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } ::sumAvg: 4.915 atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } atom: 1194 103E-H N 9.319 ambi=1 { N:121.912 } ::sumAvg: 4.67 atom: 1194 103E-H N 9.319 ambi=1 { N:121.912 } atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } ::sumAvg: 4.67 atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } :: atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } atom: 1199 103E-HG3 G 2.341 ambi=2 { CG:37.93 } ::sumAvg: 4.995 atom: 1174 101G-H N 8.143 ambi=1 { N:108.307 } atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } ::sumAvg: 4.53 atom: 1174 101G-H N 8.143 ambi=1 { N:108.307 } atom: 1211 104R-QD D 3.256 ambi=2 { CD:43.399 } ::sumAvg: 4.795 atom: 1180 102L-H N 8.153 ambi=1 { N:121.034 } atom: 1196 103E-HB2 B 2.23 ambi=2 { CB:29.365 } :: atom: 1180 102L-H N 8.153 ambi=1 { N:121.034 } atom: 1197 103E-HB3 B 2.036 ambi=2 { CB:29.365 } ::sumAvg: 4.73 atom: 1180 102L-H N 8.153 ambi=1 { N:121.034 } atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } :: atom: 1180 102L-H N 8.153 ambi=1 { N:121.034 } atom: 1199 103E-HG3 G 2.341 ambi=2 { CG:37.93 } ::sumAvg: 4.73 atom: 1180 102L-H N 8.153 ambi=1 { N:121.034 } atom: 1219 105N-H N 6.941 ambi=1 { N:117.815 } ::sumAvg: 4.615 atom: 1219 105N-H N 6.941 ambi=1 { N:117.815 } atom: 1180 102L-H N 8.153 ambi=1 { N:121.034 } ::sumAvg: 4.615 atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } atom: 1181 102L-HA A 4.256 ambi=1 { CA:57.522 } :: atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } atom: 1181 102L-HA A 4.256 ambi=1 { CA:57.522 } ::sumAvg: 4.205 atom: 1239 107N-H N 7.116 ambi=1 { N:112.783 } atom: 1181 102L-HA A 4.256 ambi=1 { CA:57.522 } ::sumAvg: 4.63 atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } :: atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } ::sumAvg: 4.7 atom: 1194 103E-H N 9.319 ambi=1 { N:121.912 } atom: 1209 104R-HG2 G 1.834 ambi=2 { CG:27.423 } :: atom: 1194 103E-H N 9.319 ambi=1 { N:121.912 } atom: 1210 104R-HG3 G 1.786 ambi=2 { CG:27.423 } ::sumAvg: 4.74 atom: 1194 103E-H N 9.319 ambi=1 { N:121.912 } atom: 1219 105N-H N 6.941 ambi=1 { N:117.815 } ::sumAvg: 3.83 atom: 1219 105N-H N 6.941 ambi=1 { N:117.815 } atom: 1196 103E-HB2 B 2.23 ambi=2 { CB:29.365 } :: atom: 1219 105N-H N 6.941 ambi=1 { N:117.815 } atom: 1197 103E-HB3 B 2.036 ambi=2 { CB:29.365 } ::sumAvg: 4.89 atom: 1205 104R-H N 7.76 ambi=1 { N:120.077 } atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } :: atom: 1205 104R-H N 7.76 ambi=1 { N:120.077 } atom: 1199 103E-HG3 G 2.341 ambi=2 { CG:37.93 } ::sumAvg: 4.52 atom: 1259 109V-H N 9.398 ambi=1 { N:127.434 } atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } :: atom: 1259 109V-H N 9.398 ambi=1 { N:127.434 } atom: 1199 103E-HG3 G 2.341 ambi=2 { CG:37.93 } ::sumAvg: 4.81 atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } atom: 1219 105N-H N 6.941 ambi=1 { N:117.815 } :: atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } atom: 1219 105N-H N 6.941 ambi=1 { N:117.815 } ::sumAvg: 4.36 atom: 1219 105N-H N 6.941 ambi=1 { N:117.815 } atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } ::sumAvg: 4.535 atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } atom: 1219 105N-H N 6.941 ambi=1 { N:117.815 } ::sumAvg: 4.535 atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } atom: 1220 105N-HA A 5.115 ambi=1 { CA:51.8 } :: atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } atom: 1220 105N-HA A 5.115 ambi=1 { CA:51.8 } ::sumAvg: 3.11 atom: 1239 107N-H N 7.116 ambi=1 { N:112.783 } atom: 1220 105N-HA A 5.115 ambi=1 { CA:51.8 } ::sumAvg: 4.97 atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } :: atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } ::sumAvg: 4.095 atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } :: atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } ::sumAvg: 4.095 atom: 1250 108T-H N 8.774 ambi=1 { N:119.254 } atom: 1239 107N-H N 7.116 ambi=1 { N:112.783 } ::sumAvg: 4.45 atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } atom: 1240 107N-HA A 5.311 ambi=1 { CA:52.925 } :: atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } atom: 1240 107N-HA A 5.311 ambi=1 { CA:52.925 } ::sumAvg: 4.33 atom: 1250 108T-H N 8.774 ambi=1 { N:119.254 } atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } ::sumAvg: 4.905 atom: 1270 110R-H N 8.999 ambi=1 { N:127.83 } atom: 1253 108T-HG2 G2 1.167 ambi=1 { CG2:21.284 } ::sumAvg: 4.5 atom: 1270 110R-H N 8.999 ambi=1 { N:127.83 } atom: 1276 110R-QD D 3.181 ambi=2 { CD:43.442 } ::sumAvg: 4.835 atom: 1270 110R-H N 8.999 ambi=1 { N:127.83 } atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } ::sumAvg: 4.815 atom: 1270 110R-H N 8.999 ambi=1 { N:127.83 } atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } :: atom: 1270 110R-H N 8.999 ambi=1 { N:127.83 } atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } ::sumAvg: 4.485 atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } atom: 1275 110R-QG G 1.6305 ambi=2 { CG:27.929 } ::sumAvg: 4.735 atom: 1350 116Q-HE22 E2 6.943 ambi=1 { NE2:112.311 } atom: 1276 110R-QD D 3.181 ambi=2 { CD:43.442 } ::sumAvg: 4.8 atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } ::sumAvg: 4.44 atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } ::sumAvg: 4.44 atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } atom: 1347 116Q-HG2 G 2.476 ambi=2 { CG:34.184 } :: atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } atom: 1348 116Q-HG3 G 2.268 ambi=2 { CG:34.184 } ::sumAvg: 4.625 atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } atom: 1349 116Q-HE21 E2 7.383 ambi=1 { NE2:112.311 } :: atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } atom: 1350 116Q-HE22 E2 6.943 ambi=1 { NE2:112.311 } ::sumAvg: 2.865 atom: 1349 116Q-HE21 E2 7.383 ambi=1 { NE2:112.311 } atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } ::sumAvg: 4.6 atom: 1343 116Q-H N 8.685 ambi=1 { N:119.008 } atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } ::sumAvg: 4.68 atom: 1402 120W-HE1 E1 10.26 ambi=1 { NE1:129.059 } atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } ::sumAvg: 4.655 atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } :: atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } ::sumAvg: 4.625 atom: 1303 113K-H N 9.079 ambi=1 { N:120.87 } atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } ::sumAvg: 4.645 atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } :: atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } ::sumAvg: 3.25 atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } atom: 1333 115L-HG G 1.629 ambi=1 { CG:27.486 } ::sumAvg: 4.22 atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } atom: 1343 116Q-H N 8.685 ambi=1 { N:119.008 } ::sumAvg: 4.94 atom: 1343 116Q-H N 8.685 ambi=1 { N:119.008 } atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } ::sumAvg: 4.94 atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } atom: 1347 116Q-HG2 G 2.476 ambi=2 { CG:34.184 } :: atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } atom: 1348 116Q-HG3 G 2.268 ambi=2 { CG:34.184 } ::sumAvg: 4.665 atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } atom: 1349 116Q-HE21 E2 7.383 ambi=1 { NE2:112.311 } ::sumAvg: 4.935 atom: 1349 116Q-HE21 E2 7.383 ambi=1 { NE2:112.311 } atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } ::sumAvg: 4.935 atom: 1349 116Q-HE21 E2 7.383 ambi=1 { NE2:112.311 } atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } ::sumAvg: 4.71 atom: 1343 116Q-H N 8.685 ambi=1 { N:119.008 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } ::sumAvg: 4.605 atom: 1303 113K-H N 9.079 ambi=1 { N:120.87 } atom: 1323 114T-HG2 G2 1.487 ambi=1 { CG2:23.729 } ::sumAvg: 4.115 atom: 1303 113K-H N 9.079 ambi=1 { N:120.87 } atom: 1329 115L-H N 8.218 ambi=1 { N:126.091 } ::sumAvg: 4.33 atom: 1329 115L-H N 8.218 ambi=1 { N:126.091 } atom: 1303 113K-H N 9.079 ambi=1 { N:120.87 } ::sumAvg: 4.33 atom: 1303 113K-H N 9.079 ambi=1 { N:120.87 } atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } :: atom: 1303 113K-H N 9.079 ambi=1 { N:120.87 } atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } ::sumAvg: 4.915 atom: 1303 113K-H N 9.079 ambi=1 { N:120.87 } atom: 1347 116Q-HG2 G 2.476 ambi=2 { CG:34.184 } :: atom: 1303 113K-H N 9.079 ambi=1 { N:120.87 } atom: 1348 116Q-HG3 G 2.268 ambi=2 { CG:34.184 } ::sumAvg: 4.51 atom: 1329 115L-H N 8.218 ambi=1 { N:126.091 } atom: 1304 113K-HA A 4.06 ambi=1 { CA:59.548 } ::sumAvg: 4.555 atom: 1343 116Q-H N 8.685 ambi=1 { N:119.008 } atom: 1304 113K-HA A 4.06 ambi=1 { CA:59.548 } ::sumAvg: 3.39 atom: 1349 116Q-HE21 E2 7.383 ambi=1 { NE2:112.311 } atom: 1304 113K-HA A 4.06 ambi=1 { CA:59.548 } :: atom: 1350 116Q-HE22 E2 6.943 ambi=1 { NE2:112.311 } atom: 1304 113K-HA A 4.06 ambi=1 { CA:59.548 } ::sumAvg: 4.15 atom: 1358 117R-H N 7.714 ambi=1 { N:117.42 } atom: 1304 113K-HA A 4.06 ambi=1 { CA:59.548 } ::sumAvg: 4.26 atom: 1320 114T-H N 8.032 ambi=1 { N:110.723 } atom: 1309 113K-QD D 1.751 ambi=2 { CD:29.091 } ::sumAvg: 4.8 atom: 1343 116Q-H N 8.685 ambi=1 { N:119.008 } atom: 1320 114T-H N 8.032 ambi=1 { N:110.723 } ::sumAvg: 3.91 atom: 1329 115L-H N 8.218 ambi=1 { N:126.091 } atom: 1358 117R-H N 7.714 ambi=1 { N:117.42 } ::sumAvg: 4.17 atom: 1358 117R-H N 7.714 ambi=1 { N:117.42 } atom: 1329 115L-H N 8.218 ambi=1 { N:126.091 } ::sumAvg: 4.17 atom: 1329 115L-H N 8.218 ambi=1 { N:126.091 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } ::sumAvg: 4.7 atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } ::sumAvg: 3.615 atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } :: atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } ::sumAvg: 4.585 atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } :: atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } ::sumAvg: 3.615 atom: 1343 116Q-H N 8.685 ambi=1 { N:119.008 } atom: 1333 115L-HG G 1.629 ambi=1 { CG:27.486 } ::sumAvg: 4.495 atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } :: atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } ::sumAvg: 3.92 atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } :: atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } ::sumAvg: 4.19 atom: 1343 116Q-H N 8.685 ambi=1 { N:119.008 } atom: 1349 116Q-HE21 E2 7.383 ambi=1 { NE2:112.311 } ::sumAvg: 4.685 atom: 1343 116Q-H N 8.685 ambi=1 { N:119.008 } atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } ::sumAvg: 4.695 atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } atom: 1343 116Q-H N 8.685 ambi=1 { N:119.008 } ::sumAvg: 4.695 atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } atom: 1344 116Q-HA A 4.13 ambi=1 { CA:59.912 } ::sumAvg: 4.68 atom: 1417 121G-H N 7.897 ambi=1 { N:109.129 } atom: 1344 116Q-HA A 4.13 ambi=1 { CA:59.912 } ::sumAvg: 4.195 atom: 1402 120W-HE1 E1 10.26 ambi=1 { NE1:129.059 } atom: 1347 116Q-HG2 G 2.476 ambi=2 { CG:34.184 } :: atom: 1402 120W-HE1 E1 10.26 ambi=1 { NE1:129.059 } atom: 1348 116Q-HG3 G 2.268 ambi=2 { CG:34.184 } ::sumAvg: 4.52 atom: 1358 117R-H N 7.714 ambi=1 { N:117.42 } atom: 1364 117R-HD2 D 2.811 ambi=2 { CD:43.261 } :: atom: 1358 117R-H N 7.714 ambi=1 { N:117.42 } atom: 1365 117R-HD3 D 2.628 ambi=2 { CD:43.261 } ::sumAvg: 4.495 atom: 1358 117R-H N 7.714 ambi=1 { N:117.42 } atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } :: atom: 1358 117R-H N 7.714 ambi=1 { N:117.42 } atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } ::sumAvg: 4.635 atom: 1358 117R-H N 7.714 ambi=1 { N:117.42 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } ::sumAvg: 4.39 atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } atom: 1358 117R-H N 7.714 ambi=1 { N:117.42 } ::sumAvg: 4.39 atom: 1358 117R-H N 7.714 ambi=1 { N:117.42 } atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } :: atom: 1358 117R-H N 7.714 ambi=1 { N:117.42 } atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } ::sumAvg: 4.945 atom: 1372 118F-H N 8.401 ambi=1 { N:112.839 } atom: 1364 117R-HD2 D 2.811 ambi=2 { CD:43.261 } :: atom: 1372 118F-H N 8.401 ambi=1 { N:112.839 } atom: 1365 117R-HD3 D 2.628 ambi=2 { CD:43.261 } ::sumAvg: 4.11 atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } atom: 1372 118F-H N 8.401 ambi=1 { N:112.839 } ::sumAvg: 3.99 atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } ::sumAvg: 4.405 atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } atom: 1417 121G-H N 7.897 ambi=1 { N:109.129 } ::sumAvg: 4.265 atom: 1417 121G-H N 7.897 ambi=1 { N:109.129 } atom: 1391 119A-HA A 4.669 ambi=1 { CA:53.548 } ::sumAvg: 4.66 atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } atom: 1401 120W-HD1 D1 7.183 ambi=1 { CD1:126.839 } ::sumAvg: 4.995 atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } atom: 1418 121G-HA2 A 4.037 ambi=2 { CA:45.707 } :: atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } atom: 1419 121G-HA3 A 4.027 ambi=2 { CA:45.707 } ::sumAvg: 4.99 atom: 1417 121G-H N 7.897 ambi=1 { N:109.129 } atom: 1401 120W-HD1 D1 7.183 ambi=1 { CD1:126.839 } ::sumAvg: 4.73 atom: 1431 123S-H N 8.473 ambi=1 { N:117.632 } atom: 1418 121G-HA2 A 4.037 ambi=2 { CA:45.707 } :: atom: 1431 123S-H N 8.473 ambi=1 { N:117.632 } atom: 1419 121G-HA3 A 4.027 ambi=2 { CA:45.707 } ::sumAvg: 4.855 atom: 1451 125E-H N 8.516 ambi=1 { N:121.392 } atom: 1432 123S-HA A 4.492 ambi=1 { CA:58.277 } ::sumAvg: 4.83 atom: 1439 124N-H N 8.486 ambi=1 { N:120.328 } atom: 1433 123S-HB2 B 3.881 ambi=2 { CB:64.005 } :: atom: 1439 124N-H N 8.486 ambi=1 { N:120.328 } atom: 1434 123S-HB3 B 3.837 ambi=2 { CB:64.005 } ::sumAvg: 3.225 atom: 1439 124N-H N 8.486 ambi=1 { N:120.328 } atom: 1443 124N-HD21 D2 7.58 ambi=1 { ND2:112.846 } ::sumAvg: 4.315 atom: 1443 124N-HD21 D2 7.58 ambi=1 { ND2:112.846 } atom: 1439 124N-H N 8.486 ambi=1 { N:120.328 } ::sumAvg: 4.315 atom: 1439 124N-H N 8.486 ambi=1 { N:120.328 } atom: 1452 125E-HA A 4.237 ambi=1 { CA:57.26 } ::sumAvg: 4.98 atom: 1443 124N-HD21 D2 7.58 ambi=1 { ND2:112.846 } atom: 1440 124N-HA A 4.716 ambi=1 { CA:53.479 } :: atom: 1444 124N-HD22 D2 6.909 ambi=1 { ND2:112.846 } atom: 1440 124N-HA A 4.716 ambi=1 { CA:53.479 } ::sumAvg: 4.335 atom: 1451 125E-H N 8.516 ambi=1 { N:121.392 } atom: 1440 124N-HA A 4.716 ambi=1 { CA:53.479 } ::sumAvg: 2.7 atom: 1451 125E-H N 8.516 ambi=1 { N:121.392 } atom: 1441 124N-HB2 B 2.832 ambi=2 { CB:38.992 } :: atom: 1451 125E-H N 8.516 ambi=1 { N:121.392 } atom: 1442 124N-HB3 B 2.712 ambi=2 { CB:38.992 } ::sumAvg: 3.28 atom: 1451 125E-H N 8.516 ambi=1 { N:121.392 } atom: 1452 125E-HA A 4.237 ambi=1 { CA:57.26 } ::sumAvg: 2.87 atom: 1451 125E-H N 8.516 ambi=1 { N:121.392 } atom: 1453 125E-HB2 B 2.055 ambi=2 { CB:29.983 } :: atom: 1451 125E-H N 8.516 ambi=1 { N:121.392 } atom: 1454 125E-HB3 B 1.914 ambi=2 { CB:29.983 } ::sumAvg: 2.67 atom: 1451 125E-H N 8.516 ambi=1 { N:121.392 } atom: 1455 125E-QG G 2.233 ambi=2 { CG:36.257 } ::sumAvg: 3.225 atom: 1474 127G-H N 8.266 ambi=1 { N:108.671 } atom: 1453 125E-HB2 B 2.055 ambi=2 { CB:29.983 } :: atom: 1474 127G-H N 8.266 ambi=1 { N:108.671 } atom: 1454 125E-HB3 B 1.914 ambi=2 { CB:29.983 } ::sumAvg: 4.92 atom: 1462 126N-H N 8.419 ambi=1 { N:118.622 } atom: 1455 125E-QG G 2.233 ambi=2 { CG:36.257 } ::sumAvg: 3.515 atom: 1462 126N-H N 8.419 ambi=1 { N:118.622 } atom: 1466 126N-HD21 D2 7.592 ambi=1 { ND2:112.85 } ::sumAvg: 4.345 atom: 1466 126N-HD21 D2 7.592 ambi=1 { ND2:112.85 } atom: 1462 126N-H N 8.419 ambi=1 { N:118.622 } ::sumAvg: 4.345 atom: 1462 126N-H N 8.419 ambi=1 { N:118.622 } atom: 1475 127G-QA A 3.923 ambi=2 { CA:45.471 } ::sumAvg: 4.31 atom: 1466 126N-HD21 D2 7.592 ambi=1 { ND2:112.85 } atom: 1463 126N-HA A 4.687 ambi=1 { CA:53.469 } :: atom: 1467 126N-HD22 D2 6.912 ambi=1 { ND2:112.85 } atom: 1463 126N-HA A 4.687 ambi=1 { CA:53.469 } ::sumAvg: 4.35 atom: 1474 127G-H N 8.266 ambi=1 { N:108.671 } atom: 1463 126N-HA A 4.687 ambi=1 { CA:53.469 } ::sumAvg: 2.83 atom: 1480 128R-H N 8.214 ambi=1 { N:121.419 } atom: 1463 126N-HA A 4.687 ambi=1 { CA:53.469 } ::sumAvg: 4.85 atom: 1474 127G-H N 8.266 ambi=1 { N:108.671 } atom: 1464 126N-HB2 B 2.832 ambi=2 { CB:38.971 } :: atom: 1474 127G-H N 8.266 ambi=1 { N:108.671 } atom: 1465 126N-HB3 B 2.807 ambi=2 { CB:38.971 } ::sumAvg: 3.07 atom: 1474 127G-H N 8.266 ambi=1 { N:108.671 } atom: 1484 128R-QG G 1.622 ambi=2 { CG:26.833 } ::sumAvg: 4.44 atom: 1480 128R-H N 8.214 ambi=1 { N:121.419 } atom: 1486 128R-QD D 3.165 ambi=2 { CD:43.423 } ::sumAvg: 4.155 atom: 1480 128R-H N 8.214 ambi=1 { N:121.419 } atom: 1498 129P-HD2 D 3.735 ambi=2 { CD:50.45 } :: atom: 1480 128R-H N 8.214 ambi=1 { N:121.419 } atom: 1499 129P-HD3 D 3.518 ambi=2 { CD:50.45 } ::sumAvg: 3.9 # Missing interactons for c_aro.peaks atom: 1380 118F-HZ Z 7.079 ambi=1 { CZ:128.778 } atom: 35 5R-HB2 B 1.648 ambi=2 { CB:32.347 } :: atom: 1380 118F-HZ Z 7.079 ambi=1 { CZ:128.778 } atom: 36 5R-HB3 B 1.62 ambi=2 { CB:32.347 } ::sumAvg: 4.83 atom: 51 6Y-QD D 6.889 ambi=3 { CD1:132.638 } atom: 37 5R-QG G 1.379 ambi=2 { CG:26.943 } ::sumAvg: 4.685 atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } atom: 40 5R-HD3 D 3.02 ambi=2 { CD:43.576 } :: atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } atom: 39 5R-HD2 D 3.105 ambi=2 { CD:43.576 } ::sumAvg: 4.65 atom: 1380 118F-HZ Z 7.079 ambi=1 { CZ:128.778 } atom: 40 5R-HD3 D 3.02 ambi=2 { CD:43.576 } :: atom: 1380 118F-HZ Z 7.079 ambi=1 { CZ:128.778 } atom: 39 5R-HD2 D 3.105 ambi=2 { CD:43.576 } ::sumAvg: 3.815 atom: 53 6Y-QE E 6.729 ambi=3 { CE1:118.33 } atom: 47 6Y-H N 8.505 ambi=1 { N:120.186 } ::sumAvg: 4.975 atom: 51 6Y-QD D 6.889 ambi=3 { CD1:132.638 } atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } ::sumAvg: 4.635 atom: 51 6Y-QD D 6.889 ambi=3 { CD1:132.638 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } ::sumAvg: 4.755 atom: 51 6Y-QD D 6.889 ambi=3 { CD1:132.638 } atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } :: atom: 51 6Y-QD D 6.889 ambi=3 { CD1:132.638 } atom: 751 62I-HG13 G1 1.315 ambi=2 { CG1:28.64 } ::sumAvg: 4.755 atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } :: atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } ::sumAvg: 3.915 atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } :: atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } ::sumAvg: 3.375 atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } atom: 63 7I-H N 8.936 ambi=1 { N:127.428 } ::sumAvg: 4.285 atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } atom: 63 7I-H N 8.936 ambi=1 { N:127.428 } ::sumAvg: 4.87 atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 68 7I-HG2 G2 0.611 ambi=1 { CG2:18.146 } ::sumAvg: 3.8 atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } ::sumAvg: 4.985 atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } ::sumAvg: 3.97 atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } ::sumAvg: 4.3 atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } ::sumAvg: 4.145 atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } ::sumAvg: 2.57 atom: 1380 118F-HZ Z 7.079 ambi=1 { CZ:128.778 } atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } ::sumAvg: 3 atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } ::sumAvg: 4.13 atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 3.945 atom: 813 67F-HZ Z 6.967 ambi=1 { CZ:128.1 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 4.895 atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } atom: 100 10M-HE E 2 ambi=1 { CE:18.34 } ::sumAvg: 4.14 atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 143 14E-QB B 1.789 ambi=2 { CB:30.756 } ::sumAvg: 4.515 atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } atom: 143 14E-QB B 1.789 ambi=2 { CB:30.756 } ::sumAvg: 3.875 atom: 200 19W-HD1 D1 7.196 ambi=1 { CD1:126.687 } atom: 177 17R-HB3 B 1.63 ambi=2 { CB:31.263 } ::sumAvg: 3.95 atom: 200 19W-HD1 D1 7.196 ambi=1 { CD1:126.687 } atom: 178 17R-HG2 G 2.114 ambi=2 { CG:25.85 } :: atom: 200 19W-HD1 D1 7.196 ambi=1 { CD1:126.687 } atom: 179 17R-HG3 G 1.837 ambi=2 { CG:25.85 } ::sumAvg: 3.575 atom: 200 19W-HD1 D1 7.196 ambi=1 { CD1:126.687 } atom: 188 18D-H N 8.663 ambi=1 { N:124.729 } ::sumAvg: 4.66 atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } atom: 197 19W-HA A 4.785 ambi=1 { CA:55.969 } ::sumAvg: 4.625 atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } atom: 198 19W-HB2 B 3.28 ambi=2 { CB:31.034 } :: atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } ::sumAvg: 2.465 atom: 204 19W-HZ3 Z3 6.604 ambi=1 { CZ3:122.5 } atom: 198 19W-HB2 B 3.28 ambi=2 { CB:31.034 } :: atom: 204 19W-HZ3 Z3 6.604 ambi=1 { CZ3:122.5 } atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } ::sumAvg: 4.865 atom: 200 19W-HD1 D1 7.196 ambi=1 { CD1:126.687 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 3.93 atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } atom: 201 19W-HE1 E1 9.702 ambi=1 { NE1:129.351 } ::sumAvg: 4.955 atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } atom: 216 20F-H N 8.455 ambi=1 { N:120.864 } ::sumAvg: 3.21 atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } atom: 217 20F-HA A 4.391 ambi=1 { CA:56.208 } ::sumAvg: 4.295 atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } atom: 234 21M-H N 8.136 ambi=1 { N:120.839 } ::sumAvg: 4.86 atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } ::sumAvg: 3.91 atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } atom: 236 21M-HG2 G 2.136 ambi=2 { CG:33.813 } :: atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } atom: 237 21M-HG3 G 1.763 ambi=2 { CG:33.813 } ::sumAvg: 4.31 atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } :: atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } ::sumAvg: 4.595 atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } ::sumAvg: 3.825 atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 3.7 atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } ::sumAvg: 4 atom: 203 19W-HZ2 Z2 6.96 ambi=1 { CZ2:112.742 } atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } ::sumAvg: 4.705 atom: 203 19W-HZ2 Z2 6.96 ambi=1 { CZ2:112.742 } atom: 413 35R-HD2 D 3.202 ambi=2 { CD:43.904 } :: atom: 203 19W-HZ2 Z2 6.96 ambi=1 { CZ2:112.742 } atom: 414 35R-HD3 D 3.025 ambi=2 { CD:43.904 } ::sumAvg: 4.3 atom: 203 19W-HZ2 Z2 6.96 ambi=1 { CZ2:112.742 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 3.105 atom: 203 19W-HZ2 Z2 6.96 ambi=1 { CZ2:112.742 } atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } ::sumAvg: 4.925 atom: 203 19W-HZ2 Z2 6.96 ambi=1 { CZ2:112.742 } atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } ::sumAvg: 4.84 atom: 203 19W-HZ2 Z2 6.96 ambi=1 { CZ2:112.742 } atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } ::sumAvg: 4.85 atom: 203 19W-HZ2 Z2 6.96 ambi=1 { CZ2:112.742 } atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } :: atom: 203 19W-HZ2 Z2 6.96 ambi=1 { CZ2:112.742 } atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } ::sumAvg: 4.14 atom: 204 19W-HZ3 Z3 6.604 ambi=1 { CZ3:122.5 } atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } ::sumAvg: 3.47 atom: 204 19W-HZ3 Z3 6.604 ambi=1 { CZ3:122.5 } atom: 437 37D-H N 8.075 ambi=1 { N:122.281 } ::sumAvg: 4.28 atom: 204 19W-HZ3 Z3 6.604 ambi=1 { CZ3:122.5 } atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } :: atom: 204 19W-HZ3 Z3 6.604 ambi=1 { CZ3:122.5 } atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } ::sumAvg: 3.055 atom: 204 19W-HZ3 Z3 6.604 ambi=1 { CZ3:122.5 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 3.84 atom: 204 19W-HZ3 Z3 6.604 ambi=1 { CZ3:122.5 } atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } ::sumAvg: 3.34 atom: 204 19W-HZ3 Z3 6.604 ambi=1 { CZ3:122.5 } atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } :: atom: 204 19W-HZ3 Z3 6.604 ambi=1 { CZ3:122.5 } atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } ::sumAvg: 4.32 atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } atom: 409 35R-HB2 B 2.019 ambi=2 { CB:34.338 } :: atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } atom: 410 35R-HB3 B 1.794 ambi=2 { CB:34.338 } ::sumAvg: 3.435 atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } atom: 411 35R-HG2 G 1.831 ambi=2 { CG:28.786 } :: atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } atom: 412 35R-HG3 G 1.518 ambi=2 { CG:28.786 } ::sumAvg: 4.415 atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } atom: 413 35R-HD2 D 3.202 ambi=2 { CD:43.904 } :: atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } atom: 414 35R-HD3 D 3.025 ambi=2 { CD:43.904 } ::sumAvg: 4.37 atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } ::sumAvg: 4.855 atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } :: atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } ::sumAvg: 4.91 atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 3.545 atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } ::sumAvg: 4.935 atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } :: atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } ::sumAvg: 3.31 atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } ::sumAvg: 3.935 atom: 222 20F-QE E 7.265 ambi=3 { CE1:131.17 } atom: 218 20F-HB2 B 2.93 ambi=2 { CB:41.136 } :: atom: 222 20F-QE E 7.265 ambi=3 { CE1:131.17 } atom: 219 20F-HB3 B 2.832 ambi=2 { CB:41.136 } ::sumAvg: 4.375 atom: 220 20F-QD D 7.091 ambi=3 { CD1:132.173 } atom: 234 21M-H N 8.136 ambi=1 { N:120.839 } ::sumAvg: 3.49 atom: 220 20F-QD D 7.091 ambi=3 { CD1:132.173 } atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } ::sumAvg: 4.075 atom: 220 20F-QD D 7.091 ambi=3 { CD1:132.173 } atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } ::sumAvg: 3.83 atom: 220 20F-QD D 7.091 ambi=3 { CD1:132.173 } atom: 245 22L-HA A 4.169 ambi=1 { CA:57.317 } ::sumAvg: 3.645 atom: 220 20F-QD D 7.091 ambi=3 { CD1:132.173 } atom: 246 22L-HB2 B 1.933 ambi=2 { CB:42.06 } :: atom: 220 20F-QD D 7.091 ambi=3 { CD1:132.173 } atom: 247 22L-HB3 B 1.586 ambi=2 { CB:42.06 } ::sumAvg: 3.635 atom: 220 20F-QD D 7.091 ambi=3 { CD1:132.173 } atom: 249 22L-HD1 D1 0.966 ambi=2 { CD1:24.474 } :: atom: 220 20F-QD D 7.091 ambi=3 { CD1:132.173 } atom: 250 22L-HD2 D2 0.923 ambi=2 { CD2:23.933 } ::sumAvg: 3.825 atom: 222 20F-QE E 7.265 ambi=3 { CE1:131.17 } atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } ::sumAvg: 4.51 atom: 222 20F-QE E 7.265 ambi=3 { CE1:131.17 } atom: 245 22L-HA A 4.169 ambi=1 { CA:57.317 } ::sumAvg: 3.93 atom: 222 20F-QE E 7.265 ambi=3 { CE1:131.17 } atom: 246 22L-HB2 B 1.933 ambi=2 { CB:42.06 } :: atom: 222 20F-QE E 7.265 ambi=3 { CE1:131.17 } atom: 247 22L-HB3 B 1.586 ambi=2 { CB:42.06 } ::sumAvg: 3.05 atom: 979 83F-QE E 7.325 ambi=3 { CE1:131.4 } atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } ::sumAvg: 4.54 atom: 977 83F-QD D 7.327 ambi=3 { CD1:132.153 } atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } :: atom: 977 83F-QD D 7.327 ambi=3 { CD1:132.153 } atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } ::sumAvg: 3.505 atom: 979 83F-QE E 7.325 ambi=3 { CE1:131.4 } atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } :: atom: 979 83F-QE E 7.325 ambi=3 { CE1:131.4 } atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } ::sumAvg: 4.94 atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } ::sumAvg: 4.95 atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 545 46M-H N 9.337 ambi=1 { N:128.492 } ::sumAvg: 4.865 atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } ::sumAvg: 4.525 atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } ::sumAvg: 3.85 atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } ::sumAvg: 3.87 atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } :: atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } ::sumAvg: 3.4 atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } :: atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } ::sumAvg: 2.41 atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } ::sumAvg: 3.805 atom: 813 67F-HZ Z 6.967 ambi=1 { CZ:128.1 } atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } ::sumAvg: 4.47 atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 578 48K-HD2 D 1.379 ambi=2 { CD:29.84 } :: atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 579 48K-HD3 D 1.181 ambi=2 { CD:29.84 } ::sumAvg: 4.425 atom: 813 67F-HZ Z 6.967 ambi=1 { CZ:128.1 } atom: 578 48K-HD2 D 1.379 ambi=2 { CD:29.84 } :: atom: 813 67F-HZ Z 6.967 ambi=1 { CZ:128.1 } atom: 579 48K-HD3 D 1.181 ambi=2 { CD:29.84 } ::sumAvg: 4.4 atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 580 48K-HE2 E 2.558 ambi=2 { CE:41.767 } :: atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 581 48K-HE3 E 2.36 ambi=2 { CE:41.767 } ::sumAvg: 4.27 atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } atom: 580 48K-HE2 E 2.558 ambi=2 { CE:41.767 } :: atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } atom: 581 48K-HE3 E 2.36 ambi=2 { CE:41.767 } ::sumAvg: 3.365 atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } ::sumAvg: 4.735 atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } ::sumAvg: 4.065 atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } ::sumAvg: 4.41 atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } ::sumAvg: 4.24 atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } :: atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } ::sumAvg: 4.935 atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } ::sumAvg: 4.515 atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } :: atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } ::sumAvg: 4.38 atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } ::sumAvg: 3.925 atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } ::sumAvg: 3.125 atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } :: atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } ::sumAvg: 3.955 atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } ::sumAvg: 3.645 atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } ::sumAvg: 4.06 atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } :: atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } ::sumAvg: 4.955 atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } :: atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } ::sumAvg: 4.735 atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } ::sumAvg: 4.78 atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } :: atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } ::sumAvg: 3.685 atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } atom: 1329 115L-H N 8.218 ambi=1 { N:126.091 } ::sumAvg: 4.21 atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } ::sumAvg: 3.95 atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } ::sumAvg: 4.63 atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } :: atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } ::sumAvg: 4.99 atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } ::sumAvg: 4.17 atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } atom: 1329 115L-H N 8.218 ambi=1 { N:126.091 } ::sumAvg: 4.255 atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } ::sumAvg: 3.86 atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } atom: 1333 115L-HG G 1.629 ambi=1 { CG:27.486 } ::sumAvg: 4.32 atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } :: atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } ::sumAvg: 3.245 atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } ::sumAvg: 4.67 atom: 1380 118F-HZ Z 7.079 ambi=1 { CZ:128.778 } atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } ::sumAvg: 4.855 atom: 663 55F-QD D 7.263 ambi=3 { CD1:131.937 } atom: 647 54I-HB B 1.524 ambi=1 { CB:40.965 } ::sumAvg: 4.965 atom: 663 55F-QD D 7.263 ambi=3 { CD1:131.937 } atom: 659 55F-H N 8.856 ambi=1 { N:124.453 } ::sumAvg: 3.23 atom: 665 55F-QE E 7.384 ambi=3 { CE1:131.7 } atom: 659 55F-H N 8.856 ambi=1 { N:124.453 } ::sumAvg: 4.685 atom: 665 55F-QE E 7.384 ambi=3 { CE1:131.7 } atom: 661 55F-HB2 B 3.377 ambi=2 { CB:36.653 } :: atom: 665 55F-QE E 7.384 ambi=3 { CE1:131.7 } atom: 662 55F-HB3 B 3.197 ambi=2 { CB:36.653 } ::sumAvg: 4.37 atom: 663 55F-QD D 7.263 ambi=3 { CD1:131.937 } atom: 677 56D-H N 8.634 ambi=1 { N:114.814 } ::sumAvg: 4.355 atom: 663 55F-QD D 7.263 ambi=3 { CD1:131.937 } atom: 689 57R-HG2 G 1.886 ambi=2 { CG:26.218 } :: atom: 663 55F-QD D 7.263 ambi=3 { CD1:131.937 } atom: 690 57R-HG3 G 1.837 ambi=2 { CG:26.218 } ::sumAvg: 3.755 atom: 663 55F-QD D 7.263 ambi=3 { CD1:131.937 } atom: 691 57R-HD2 D 3.328 ambi=2 { CD:43.825 } :: atom: 663 55F-QD D 7.263 ambi=3 { CD1:131.937 } atom: 692 57R-HD3 D 3.309 ambi=2 { CD:43.825 } ::sumAvg: 4.945 atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } atom: 677 56D-H N 8.634 ambi=1 { N:114.814 } ::sumAvg: 4.98 atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 685 57R-H N 8.191 ambi=1 { N:117.052 } ::sumAvg: 4.03 atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } atom: 685 57R-H N 8.191 ambi=1 { N:117.052 } ::sumAvg: 4.51 atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } ::sumAvg: 4.19 atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } :: atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } ::sumAvg: 4.29 atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } ::sumAvg: 3.715 atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } ::sumAvg: 4.555 atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } :: atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } ::sumAvg: 4.34 atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } ::sumAvg: 4.565 atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } ::sumAvg: 4.385 atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } ::sumAvg: 3.025 atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } ::sumAvg: 4.77 atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } ::sumAvg: 4.985 atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } ::sumAvg: 4.435 atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } ::sumAvg: 4.465 atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } ::sumAvg: 3.65 atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } ::sumAvg: 4.94 atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } ::sumAvg: 4.81 atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } ::sumAvg: 4.51 atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } ::sumAvg: 3.295 atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 823 68T-H N 9.383 ambi=1 { N:112.406 } ::sumAvg: 3.69 atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 854 71G-H N 8.145 ambi=1 { N:108.093 } ::sumAvg: 4.43 atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 867 73I-HA A 3.957 ambi=1 { CA:61.244 } ::sumAvg: 4.055 atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } :: atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } ::sumAvg: 3.24 atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 3.97 atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } ::sumAvg: 4.195 atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } :: atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } ::sumAvg: 4.59 atom: 977 83F-QD D 7.327 ambi=3 { CD1:132.153 } atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } ::sumAvg: 4.775 atom: 979 83F-QE E 7.325 ambi=3 { CE1:131.4 } atom: 942 80L-HB2 B 1.746 ambi=2 { CB:42.359 } :: atom: 979 83F-QE E 7.325 ambi=3 { CE1:131.4 } atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } ::sumAvg: 3.915 atom: 977 83F-QD D 7.327 ambi=3 { CD1:132.153 } atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } ::sumAvg: 4.435 atom: 977 83F-QD D 7.327 ambi=3 { CD1:132.153 } atom: 965 82S-H N 7.82 ambi=1 { N:109.804 } ::sumAvg: 4.08 atom: 979 83F-QE E 7.325 ambi=3 { CE1:131.4 } atom: 967 82S-HB2 B 3.819 ambi=2 { CB:62.784 } :: atom: 979 83F-QE E 7.325 ambi=3 { CE1:131.4 } atom: 968 82S-HB3 B 3.734 ambi=2 { CB:62.784 } ::sumAvg: 4.205 atom: 979 83F-QE E 7.325 ambi=3 { CE1:131.4 } atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } ::sumAvg: 4.685 atom: 979 83F-QE E 7.325 ambi=3 { CE1:131.4 } atom: 975 83F-HB2 B 3.329 ambi=2 { CB:40.269 } :: atom: 979 83F-QE E 7.325 ambi=3 { CE1:131.4 } atom: 976 83F-HB3 B 3.071 ambi=2 { CB:40.269 } ::sumAvg: 4.395 atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } :: atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } ::sumAvg: 4.71 atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.22 atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } :: atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } ::sumAvg: 3.835 atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 1035 88I-HD1 D1 1.279 ambi=1 { CD1:14.497 } ::sumAvg: 4.835 atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } :: atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } ::sumAvg: 4.89 atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1074 92K-HA A 3.754 ambi=1 { CA:61.14 } ::sumAvg: 3.13 atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1075 92K-HB2 B 1.962 ambi=2 { CB:32.22 } :: atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1076 92K-HB3 B 1.833 ambi=2 { CB:32.22 } ::sumAvg: 3.895 atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } atom: 1075 92K-HB2 B 1.962 ambi=2 { CB:32.22 } :: atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } atom: 1076 92K-HB3 B 1.833 ambi=2 { CB:32.22 } ::sumAvg: 4.77 atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1077 92K-HG2 G 1.605 ambi=2 { CG:25.995 } :: atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1078 92K-HG3 G 0.988 ambi=2 { CG:25.995 } ::sumAvg: 3.95 atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } atom: 1077 92K-HG2 G 1.605 ambi=2 { CG:25.995 } :: atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } atom: 1078 92K-HG3 G 0.988 ambi=2 { CG:25.995 } ::sumAvg: 4.19 atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } atom: 1109 95I-H N 8.716 ambi=1 { N:119.174 } ::sumAvg: 4.18 atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } ::sumAvg: 4.73 atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1111 95I-HB B 1.737 ambi=1 { CB:37.633 } ::sumAvg: 2.915 atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } atom: 1111 95I-HB B 1.737 ambi=1 { CB:37.633 } ::sumAvg: 2.365 atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } :: atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } ::sumAvg: 4.925 atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } :: atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } ::sumAvg: 4.82 atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 2.855 atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 2.48 atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } ::sumAvg: 2.815 atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } ::sumAvg: 3.745 atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1123 96G-H N 8.125 ambi=1 { N:106.409 } ::sumAvg: 4.795 atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } atom: 1123 96G-H N 8.125 ambi=1 { N:106.409 } ::sumAvg: 2.765 atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } atom: 1159 99I-HG2 G2 0.779 ambi=1 { CG2:16.926 } ::sumAvg: 4.88 atom: 1406 120W-HH2 H2 7.003 ambi=1 { CH2:123.877 } atom: 1159 99I-HG2 G2 0.779 ambi=1 { CG2:16.926 } ::sumAvg: 3.215 atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } ::sumAvg: 4.95 atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } ::sumAvg: 3.945 atom: 1401 120W-HD1 D1 7.183 ambi=1 { CD1:126.839 } atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } ::sumAvg: 4.295 atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } :: atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } ::sumAvg: 3.875 atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } :: atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } ::sumAvg: 4.615 atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } ::sumAvg: 3.315 atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 1323 114T-HG2 G2 1.487 ambi=1 { CG2:23.729 } ::sumAvg: 4.155 atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 1329 115L-H N 8.218 ambi=1 { N:126.091 } ::sumAvg: 4.7 atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } ::sumAvg: 4.005 atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } :: atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } ::sumAvg: 4.875 atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 1360 117R-HB2 B 1.714 ambi=2 { CB:30.404 } :: atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 1361 117R-HB3 B 1.403 ambi=2 { CB:30.404 } ::sumAvg: 4.425 atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } atom: 1360 117R-HB2 B 1.714 ambi=2 { CB:30.404 } :: atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } atom: 1361 117R-HB3 B 1.403 ambi=2 { CB:30.404 } ::sumAvg: 4.97 atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 1362 117R-HG2 G 1.023 ambi=2 { CG:26.413 } :: atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 1363 117R-HG3 G 0.693 ambi=2 { CG:26.413 } ::sumAvg: 4.325 atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } atom: 1362 117R-HG2 G 1.023 ambi=2 { CG:26.413 } :: atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } atom: 1363 117R-HG3 G 0.693 ambi=2 { CG:26.413 } ::sumAvg: 4.55 atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } atom: 1364 117R-HD2 D 2.811 ambi=2 { CD:43.261 } :: atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } atom: 1365 117R-HD3 D 2.628 ambi=2 { CD:43.261 } ::sumAvg: 4.045 atom: 1380 118F-HZ Z 7.079 ambi=1 { CZ:128.778 } atom: 1364 117R-HD2 D 2.811 ambi=2 { CD:43.261 } :: atom: 1380 118F-HZ Z 7.079 ambi=1 { CZ:128.778 } atom: 1365 117R-HD3 D 2.628 ambi=2 { CD:43.261 } ::sumAvg: 4.67 atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } ::sumAvg: 4.405 atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } ::sumAvg: 4.925 atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } ::sumAvg: 4.305 atom: 1401 120W-HD1 D1 7.183 ambi=1 { CD1:126.839 } atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } ::sumAvg: 4.995 atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } ::sumAvg: 4.475 atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } ::sumAvg: 2.685 atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } ::sumAvg: 4.785 atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } :: atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } ::sumAvg: 2.83 atom: 1401 120W-HD1 D1 7.183 ambi=1 { CD1:126.839 } atom: 1417 121G-H N 7.897 ambi=1 { N:109.129 } ::sumAvg: 4.73 atom: 1401 120W-HD1 D1 7.183 ambi=1 { CD1:126.839 } atom: 1418 121G-HA2 A 4.037 ambi=2 { CA:45.707 } :: atom: 1401 120W-HD1 D1 7.183 ambi=1 { CD1:126.839 } atom: 1419 121G-HA3 A 4.027 ambi=2 { CA:45.707 } ::sumAvg: 4.565 atom: 1406 120W-HH2 H2 7.003 ambi=1 { CH2:123.877 } atom: 1402 120W-HE1 E1 10.26 ambi=1 { NE1:129.059 } ::sumAvg: 4.965 # Missing interactons for c_ali.peaks atom: 1 1M-HA A 4.296 ambi=1 { CA:56.55 } atom: 14 2P-QD D 3.386 ambi=2 { CD:49.426 } ::sumAvg: 2.77 atom: 14 2P-QD D 3.386 ambi=2 { CD:49.426 } atom: 1 1M-HA A 4.296 ambi=1 { CA:56.55 } ::sumAvg: 2.77 atom: 14 2P-QD D 3.386 ambi=2 { CD:49.426 } atom: 2 1M-HB2 B 2.075 ambi=2 {attached_atom is not_assigned} :: atom: 14 2P-QD D 3.386 ambi=2 { CD:49.426 } atom: 3 1M-HB3 B 1.883 ambi=2 {attached_atom is not_assigned} ::sumAvg: 3.135 atom: 20 3A-HA A 4.377 ambi=1 { CA:52.553 } atom: 10 2P-HB2 B 2.401 ambi=2 { CB:32.513 } :: atom: 20 3A-HA A 4.377 ambi=1 { CA:52.553 } atom: 11 2P-HB3 B 2.011 ambi=2 { CB:32.513 } ::sumAvg: 4.91 atom: 10 2P-HB2 B 2.401 ambi=2 { CB:32.513 } atom: 21 3A-HB B 1.373 ambi=1 { CB:19.445 } :: atom: 11 2P-HB3 B 2.011 ambi=2 { CB:32.513 } atom: 21 3A-HB B 1.373 ambi=1 { CB:19.445 } ::sumAvg: 4.46 atom: 21 3A-HB B 1.373 ambi=1 { CB:19.445 } atom: 10 2P-HB2 B 2.401 ambi=2 { CB:32.513 } :: atom: 21 3A-HB B 1.373 ambi=1 { CB:19.445 } atom: 11 2P-HB3 B 2.011 ambi=2 { CB:32.513 } ::sumAvg: 4.46 atom: 10 2P-HB2 B 2.401 ambi=2 { CB:32.513 } atom: 651 54I-HD1 D1 0.71 ambi=1 { CD1:13.526 } :: atom: 11 2P-HB3 B 2.011 ambi=2 { CB:32.513 } atom: 651 54I-HD1 D1 0.71 ambi=1 { CD1:13.526 } ::sumAvg: 3.355 atom: 14 2P-QD D 3.386 ambi=2 { CD:49.426 } atom: 4 1M-QG G 2.235 ambi=2 {attached_atom is not_assigned} ::sumAvg: 3.27 atom: 6 1M-HE E 2.064 ambi=1 { CE:17.18 } atom: 14 2P-QD D 3.386 ambi=2 { CD:49.426 } ::sumAvg: 3.935 atom: 14 2P-QD D 3.386 ambi=2 { CD:49.426 } atom: 6 1M-HE E 2.064 ambi=1 { CE:17.18 } ::sumAvg: 3.935 atom: 9 2P-HA A 4.393 ambi=1 { CA:62.384 } atom: 21 3A-HB B 1.373 ambi=1 { CB:19.445 } ::sumAvg: 4.465 atom: 9 2P-HA A 4.393 ambi=1 { CA:62.384 } atom: 651 54I-HD1 D1 0.71 ambi=1 { CD1:13.526 } ::sumAvg: 4.25 atom: 651 54I-HD1 D1 0.71 ambi=1 { CD1:13.526 } atom: 9 2P-HA A 4.393 ambi=1 { CA:62.384 } ::sumAvg: 4.25 atom: 14 2P-QD D 3.386 ambi=2 { CD:49.426 } atom: 21 3A-HB B 1.373 ambi=1 { CB:19.445 } ::sumAvg: 4.86 atom: 21 3A-HB B 1.373 ambi=1 { CB:19.445 } atom: 14 2P-QD D 3.386 ambi=2 { CD:49.426 } ::sumAvg: 4.86 atom: 651 54I-HD1 D1 0.71 ambi=1 { CD1:13.526 } atom: 14 2P-QD D 3.386 ambi=2 { CD:49.426 } ::sumAvg: 4.32 atom: 27 4S-HB2 B 3.665 ambi=2 { CB:64.178 } atom: 20 3A-HA A 4.377 ambi=1 { CA:52.553 } :: atom: 28 4S-HB3 B 3.654 ambi=2 { CB:64.178 } atom: 20 3A-HA A 4.377 ambi=1 { CA:52.553 } ::sumAvg: 4.865 atom: 651 54I-HD1 D1 0.71 ambi=1 { CD1:13.526 } atom: 20 3A-HA A 4.377 ambi=1 { CA:52.553 } ::sumAvg: 4.475 atom: 21 3A-HB B 1.373 ambi=1 { CB:19.445 } atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } ::sumAvg: 4.275 atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } atom: 21 3A-HB B 1.373 ambi=1 { CB:19.445 } ::sumAvg: 4.275 atom: 21 3A-HB B 1.373 ambi=1 { CB:19.445 } atom: 27 4S-HB2 B 3.665 ambi=2 { CB:64.178 } :: atom: 21 3A-HB B 1.373 ambi=1 { CB:19.445 } atom: 28 4S-HB3 B 3.654 ambi=2 { CB:64.178 } ::sumAvg: 4.54 atom: 27 4S-HB2 B 3.665 ambi=2 { CB:64.178 } atom: 21 3A-HB B 1.373 ambi=1 { CB:19.445 } :: atom: 28 4S-HB3 B 3.654 ambi=2 { CB:64.178 } atom: 21 3A-HB B 1.373 ambi=1 { CB:19.445 } ::sumAvg: 4.54 atom: 34 5R-HA A 4.466 ambi=1 { CA:54.848 } atom: 40 5R-HD3 D 3.02 ambi=2 { CD:43.576 } :: atom: 34 5R-HA A 4.466 ambi=1 { CA:54.848 } atom: 39 5R-HD2 D 3.105 ambi=2 { CD:43.576 } ::sumAvg: 4.385 atom: 34 5R-HA A 4.466 ambi=1 { CA:54.848 } atom: 51 6Y-QD D 6.889 ambi=3 { CD1:132.638 } ::sumAvg: 3.755 atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } atom: 34 5R-HA A 4.466 ambi=1 { CA:54.848 } ::sumAvg: 4.425 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 35 5R-HB2 B 1.648 ambi=2 { CB:32.347 } :: atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 36 5R-HB3 B 1.62 ambi=2 { CB:32.347 } ::sumAvg: 4.93 atom: 35 5R-HB2 B 1.648 ambi=2 { CB:32.347 } atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } :: atom: 35 5R-HB2 B 1.648 ambi=2 { CB:32.347 } atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } :: atom: 36 5R-HB3 B 1.62 ambi=2 { CB:32.347 } atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } :: atom: 36 5R-HB3 B 1.62 ambi=2 { CB:32.347 } atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } ::sumAvg: 4.465 atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } atom: 35 5R-HB2 B 1.648 ambi=2 { CB:32.347 } :: atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } atom: 35 5R-HB2 B 1.648 ambi=2 { CB:32.347 } :: atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } atom: 36 5R-HB3 B 1.62 ambi=2 { CB:32.347 } :: atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } atom: 36 5R-HB3 B 1.62 ambi=2 { CB:32.347 } ::sumAvg: 4.465 atom: 35 5R-HB2 B 1.648 ambi=2 { CB:32.347 } atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } :: atom: 36 5R-HB3 B 1.62 ambi=2 { CB:32.347 } atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } ::sumAvg: 3.775 atom: 35 5R-HB2 B 1.648 ambi=2 { CB:32.347 } atom: 634 53V-H N 8.67 ambi=1 { N:119.131 } :: atom: 36 5R-HB3 B 1.62 ambi=2 { CB:32.347 } atom: 634 53V-H N 8.67 ambi=1 { N:119.131 } ::sumAvg: 4.055 atom: 35 5R-HB2 B 1.648 ambi=2 { CB:32.347 } atom: 1380 118F-HZ Z 7.079 ambi=1 { CZ:128.778 } :: atom: 36 5R-HB3 B 1.62 ambi=2 { CB:32.347 } atom: 1380 118F-HZ Z 7.079 ambi=1 { CZ:128.778 } ::sumAvg: 4.83 atom: 651 54I-HD1 D1 0.71 ambi=1 { CD1:13.526 } atom: 25 4S-H N 8.319 ambi=1 { N:116.143 } ::sumAvg: 4.17 atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } atom: 35 5R-HB2 B 1.648 ambi=2 { CB:32.347 } :: atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } atom: 36 5R-HB3 B 1.62 ambi=2 { CB:32.347 } ::sumAvg: 4.53 atom: 35 5R-HB2 B 1.648 ambi=2 { CB:32.347 } atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } :: atom: 36 5R-HB3 B 1.62 ambi=2 { CB:32.347 } atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } ::sumAvg: 4.53 atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } atom: 634 53V-H N 8.67 ambi=1 { N:119.131 } ::sumAvg: 4.445 atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } ::sumAvg: 4.715 atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } ::sumAvg: 4.715 atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } ::sumAvg: 4.31 atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } ::sumAvg: 4.31 atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } atom: 647 54I-HB B 1.524 ambi=1 { CB:40.965 } ::sumAvg: 3.91 atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } atom: 648 54I-HG12 G1 1.164 ambi=2 { CG1:27.69 } :: atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } atom: 649 54I-HG13 G1 0.709 ambi=2 { CG1:27.69 } ::sumAvg: 4.545 atom: 648 54I-HG12 G1 1.164 ambi=2 { CG1:27.69 } atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } :: atom: 649 54I-HG13 G1 0.709 ambi=2 { CG1:27.69 } atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } ::sumAvg: 4.545 atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } atom: 651 54I-HD1 D1 0.71 ambi=1 { CD1:13.526 } ::sumAvg: 3.35 atom: 26 4S-HA A 4.592 ambi=1 { CA:58.208 } atom: 659 55F-H N 8.856 ambi=1 { N:124.453 } ::sumAvg: 4.875 atom: 27 4S-HB2 B 3.665 ambi=2 { CB:64.178 } atom: 34 5R-HA A 4.466 ambi=1 { CA:54.848 } :: atom: 28 4S-HB3 B 3.654 ambi=2 { CB:64.178 } atom: 34 5R-HA A 4.466 ambi=1 { CA:54.848 } ::sumAvg: 4.79 atom: 34 5R-HA A 4.466 ambi=1 { CA:54.848 } atom: 27 4S-HB2 B 3.665 ambi=2 { CB:64.178 } :: atom: 34 5R-HA A 4.466 ambi=1 { CA:54.848 } atom: 28 4S-HB3 B 3.654 ambi=2 { CB:64.178 } ::sumAvg: 4.79 atom: 27 4S-HB2 B 3.665 ambi=2 { CB:64.178 } atom: 634 53V-H N 8.67 ambi=1 { N:119.131 } :: atom: 28 4S-HB3 B 3.654 ambi=2 { CB:64.178 } atom: 634 53V-H N 8.67 ambi=1 { N:119.131 } ::sumAvg: 4.555 atom: 27 4S-HB2 B 3.665 ambi=2 { CB:64.178 } atom: 646 54I-HA A 4.256 ambi=1 { CA:60.076 } :: atom: 28 4S-HB3 B 3.654 ambi=2 { CB:64.178 } atom: 646 54I-HA A 4.256 ambi=1 { CA:60.076 } ::sumAvg: 4.82 atom: 646 54I-HA A 4.256 ambi=1 { CA:60.076 } atom: 27 4S-HB2 B 3.665 ambi=2 { CB:64.178 } :: atom: 646 54I-HA A 4.256 ambi=1 { CA:60.076 } atom: 28 4S-HB3 B 3.654 ambi=2 { CB:64.178 } ::sumAvg: 4.82 atom: 27 4S-HB2 B 3.665 ambi=2 { CB:64.178 } atom: 647 54I-HB B 1.524 ambi=1 { CB:40.965 } :: atom: 28 4S-HB3 B 3.654 ambi=2 { CB:64.178 } atom: 647 54I-HB B 1.524 ambi=1 { CB:40.965 } ::sumAvg: 4.425 atom: 648 54I-HG12 G1 1.164 ambi=2 { CG1:27.69 } atom: 27 4S-HB2 B 3.665 ambi=2 { CB:64.178 } :: atom: 649 54I-HG13 G1 0.709 ambi=2 { CG1:27.69 } atom: 27 4S-HB2 B 3.665 ambi=2 { CB:64.178 } :: atom: 648 54I-HG12 G1 1.164 ambi=2 { CG1:27.69 } atom: 28 4S-HB3 B 3.654 ambi=2 { CB:64.178 } :: atom: 649 54I-HG13 G1 0.709 ambi=2 { CG1:27.69 } atom: 28 4S-HB3 B 3.654 ambi=2 { CB:64.178 } ::sumAvg: 4.645 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 33 5R-H N 8.327 ambi=1 { N:121.761 } ::sumAvg: 4.925 atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } atom: 33 5R-H N 8.327 ambi=1 { N:121.761 } ::sumAvg: 4.865 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 33 5R-H N 8.327 ambi=1 { N:121.761 } ::sumAvg: 4.725 atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } atom: 33 5R-H N 8.327 ambi=1 { N:121.761 } ::sumAvg: 2.69 atom: 646 54I-HA A 4.256 ambi=1 { CA:60.076 } atom: 33 5R-H N 8.327 ambi=1 { N:121.761 } ::sumAvg: 4.05 atom: 647 54I-HB B 1.524 ambi=1 { CB:40.965 } atom: 33 5R-H N 8.327 ambi=1 { N:121.761 } ::sumAvg: 4.64 atom: 651 54I-HD1 D1 0.71 ambi=1 { CD1:13.526 } atom: 33 5R-H N 8.327 ambi=1 { N:121.761 } ::sumAvg: 4.87 atom: 37 5R-QG G 1.379 ambi=2 { CG:26.943 } atom: 49 6Y-QB B 2.701 ambi=2 { CB:39.766 } ::sumAvg: 4.035 atom: 49 6Y-QB B 2.701 ambi=2 { CB:39.766 } atom: 37 5R-QG G 1.379 ambi=2 { CG:26.943 } ::sumAvg: 4.035 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 37 5R-QG G 1.379 ambi=2 { CG:26.943 } ::sumAvg: 3.935 atom: 37 5R-QG G 1.379 ambi=2 { CG:26.943 } atom: 51 6Y-QD D 6.889 ambi=3 { CD1:132.638 } ::sumAvg: 4.685 atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } atom: 37 5R-QG G 1.379 ambi=2 { CG:26.943 } :: atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } atom: 37 5R-QG G 1.379 ambi=2 { CG:26.943 } ::sumAvg: 3.595 atom: 37 5R-QG G 1.379 ambi=2 { CG:26.943 } atom: 63 7I-H N 8.936 ambi=1 { N:127.428 } ::sumAvg: 4.485 atom: 37 5R-QG G 1.379 ambi=2 { CG:26.943 } atom: 64 7I-HA A 4.013 ambi=1 { CA:58.396 } ::sumAvg: 4.28 atom: 64 7I-HA A 4.013 ambi=1 { CA:58.396 } atom: 37 5R-QG G 1.379 ambi=2 { CG:26.943 } ::sumAvg: 4.28 atom: 37 5R-QG G 1.379 ambi=2 { CG:26.943 } atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } ::sumAvg: 2.705 atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } atom: 37 5R-QG G 1.379 ambi=2 { CG:26.943 } ::sumAvg: 2.705 atom: 40 5R-HD3 D 3.02 ambi=2 { CD:43.576 } atom: 47 6Y-H N 8.505 ambi=1 { N:120.186 } :: atom: 39 5R-HD2 D 3.105 ambi=2 { CD:43.576 } atom: 47 6Y-H N 8.505 ambi=1 { N:120.186 } ::sumAvg: 4.88 atom: 40 5R-HD3 D 3.02 ambi=2 { CD:43.576 } atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } :: atom: 40 5R-HD3 D 3.02 ambi=2 { CD:43.576 } atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } :: atom: 39 5R-HD2 D 3.105 ambi=2 { CD:43.576 } atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } :: atom: 39 5R-HD2 D 3.105 ambi=2 { CD:43.576 } atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } ::sumAvg: 4.795 atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } atom: 40 5R-HD3 D 3.02 ambi=2 { CD:43.576 } :: atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } atom: 40 5R-HD3 D 3.02 ambi=2 { CD:43.576 } :: atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } atom: 39 5R-HD2 D 3.105 ambi=2 { CD:43.576 } :: atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } atom: 39 5R-HD2 D 3.105 ambi=2 { CD:43.576 } ::sumAvg: 4.795 atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } atom: 40 5R-HD3 D 3.02 ambi=2 { CD:43.576 } :: atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } atom: 39 5R-HD2 D 3.105 ambi=2 { CD:43.576 } ::sumAvg: 4.105 atom: 40 5R-HD3 D 3.02 ambi=2 { CD:43.576 } atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } :: atom: 39 5R-HD2 D 3.105 ambi=2 { CD:43.576 } atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } ::sumAvg: 4.65 atom: 49 6Y-QB B 2.701 ambi=2 { CB:39.766 } atom: 53 6Y-QE E 6.729 ambi=3 { CE1:118.33 } ::sumAvg: 3.955 atom: 49 6Y-QB B 2.701 ambi=2 { CB:39.766 } atom: 64 7I-HA A 4.013 ambi=1 { CA:58.396 } ::sumAvg: 4.26 atom: 64 7I-HA A 4.013 ambi=1 { CA:58.396 } atom: 49 6Y-QB B 2.701 ambi=2 { CB:39.766 } ::sumAvg: 4.26 atom: 49 6Y-QB B 2.701 ambi=2 { CB:39.766 } atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } ::sumAvg: 4.725 atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } atom: 49 6Y-QB B 2.701 ambi=2 { CB:39.766 } ::sumAvg: 4.725 atom: 49 6Y-QB B 2.701 ambi=2 { CB:39.766 } atom: 77 8T-H N 8.717 ambi=1 { N:117.2 } ::sumAvg: 4.885 atom: 49 6Y-QB B 2.701 ambi=2 { CB:39.766 } atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } ::sumAvg: 4.875 atom: 49 6Y-QB B 2.701 ambi=2 { CB:39.766 } atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } ::sumAvg: 4.125 atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } atom: 49 6Y-QB B 2.701 ambi=2 { CB:39.766 } ::sumAvg: 4.125 atom: 753 62I-HD1 D1 0.887 ambi=1 { CD1:12.828 } atom: 49 6Y-QB B 2.701 ambi=2 { CB:39.766 } ::sumAvg: 4.095 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 47 6Y-H N 8.505 ambi=1 { N:120.186 } ::sumAvg: 2.955 atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } atom: 47 6Y-H N 8.505 ambi=1 { N:120.186 } ::sumAvg: 4.445 atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } atom: 47 6Y-H N 8.505 ambi=1 { N:120.186 } ::sumAvg: 4.825 atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 47 6Y-H N 8.505 ambi=1 { N:120.186 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 47 6Y-H N 8.505 ambi=1 { N:120.186 } ::sumAvg: 4.97 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 49 6Y-QB B 2.701 ambi=2 { CB:39.766 } ::sumAvg: 2.41 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 51 6Y-QD D 6.889 ambi=3 { CD1:132.638 } ::sumAvg: 2.895 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 53 6Y-QE E 6.729 ambi=3 { CE1:118.33 } ::sumAvg: 4.56 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } :: atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } ::sumAvg: 3.785 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 63 7I-H N 8.936 ambi=1 { N:127.428 } ::sumAvg: 2.155 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 64 7I-HA A 4.013 ambi=1 { CA:58.396 } ::sumAvg: 4.435 atom: 64 7I-HA A 4.013 ambi=1 { CA:58.396 } atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } ::sumAvg: 4.435 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 65 7I-HB B 0.301 ambi=1 { CB:36.031 } ::sumAvg: 4.635 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } ::sumAvg: 4.385 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 80 8T-HG2 G2 0.879 ambi=1 { CG2:20.715 } ::sumAvg: 4.92 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } ::sumAvg: 4.695 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } ::sumAvg: 4.925 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } ::sumAvg: 2.295 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } :: atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } ::sumAvg: 4.08 atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } :: atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } ::sumAvg: 4.08 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 634 53V-H N 8.67 ambi=1 { N:119.131 } ::sumAvg: 3.545 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } ::sumAvg: 4.775 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } ::sumAvg: 3.75 atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } atom: 753 62I-HD1 D1 0.887 ambi=1 { CD1:12.828 } ::sumAvg: 4.67 atom: 753 62I-HD1 D1 0.887 ambi=1 { CD1:12.828 } atom: 48 6Y-HA A 4.787 ambi=1 { CA:57.521 } ::sumAvg: 4.67 atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } atom: 51 6Y-QD D 6.889 ambi=3 { CD1:132.638 } :: atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } atom: 51 6Y-QD D 6.889 ambi=3 { CD1:132.638 } ::sumAvg: 3.335 atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } atom: 51 6Y-QD D 6.889 ambi=3 { CD1:132.638 } :: atom: 751 62I-HG13 G1 1.315 ambi=2 { CG1:28.64 } atom: 51 6Y-QD D 6.889 ambi=3 { CD1:132.638 } ::sumAvg: 4.755 atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } atom: 53 6Y-QE E 6.729 ambi=3 { CE1:118.33 } ::sumAvg: 4.38 atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } atom: 53 6Y-QE E 6.729 ambi=3 { CE1:118.33 } :: atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } atom: 53 6Y-QE E 6.729 ambi=3 { CE1:118.33 } ::sumAvg: 2.835 atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } atom: 53 6Y-QE E 6.729 ambi=3 { CE1:118.33 } :: atom: 751 62I-HG13 G1 1.315 ambi=2 { CG1:28.64 } atom: 53 6Y-QE E 6.729 ambi=3 { CE1:118.33 } ::sumAvg: 4.565 atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } :: atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } ::sumAvg: 4.745 atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } :: atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } ::sumAvg: 3.915 atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } :: atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } ::sumAvg: 2.53 atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } :: atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } ::sumAvg: 2.93 atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } :: atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } ::sumAvg: 4.375 atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } :: atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } ::sumAvg: 4.375 atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } atom: 634 53V-H N 8.67 ambi=1 { N:119.131 } :: atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } atom: 634 53V-H N 8.67 ambi=1 { N:119.131 } ::sumAvg: 4.715 atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } :: atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } ::sumAvg: 3.93 atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } :: atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } ::sumAvg: 3.93 atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } atom: 1322 114T-HB B 4.554 ambi=1 { CB:66.973 } :: atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } atom: 1322 114T-HB B 4.554 ambi=1 { CB:66.973 } ::sumAvg: 3.47 atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } atom: 1323 114T-HG2 G2 1.487 ambi=1 { CG2:23.729 } :: atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } atom: 1323 114T-HG2 G2 1.487 ambi=1 { CG2:23.729 } ::sumAvg: 4.275 atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } :: atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } ::sumAvg: 3.375 atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } :: atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } ::sumAvg: 2.675 atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } atom: 1380 118F-HZ Z 7.079 ambi=1 { CZ:128.778 } :: atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } atom: 1380 118F-HZ Z 7.079 ambi=1 { CZ:128.778 } ::sumAvg: 4.005 atom: 80 8T-HG2 G2 0.879 ambi=1 { CG2:20.715 } atom: 63 7I-H N 8.936 ambi=1 { N:127.428 } ::sumAvg: 4.23 atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } atom: 63 7I-H N 8.936 ambi=1 { N:127.428 } ::sumAvg: 4.805 atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 63 7I-H N 8.936 ambi=1 { N:127.428 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 63 7I-H N 8.936 ambi=1 { N:127.428 } ::sumAvg: 3.495 atom: 753 62I-HD1 D1 0.887 ambi=1 { CD1:12.828 } atom: 63 7I-H N 8.936 ambi=1 { N:127.428 } ::sumAvg: 4.545 atom: 66 7I-HG12 G1 0.771 ambi=2 { CG1:27.307 } atom: 64 7I-HA A 4.013 ambi=1 { CA:58.396 } :: atom: 67 7I-HG13 G1 0.587 ambi=2 { CG1:27.307 } atom: 64 7I-HA A 4.013 ambi=1 { CA:58.396 } ::sumAvg: 3.105 atom: 64 7I-HA A 4.013 ambi=1 { CA:58.396 } atom: 78 8T-HA A 4.598 ambi=1 { CA:56.129 } ::sumAvg: 4.45 atom: 78 8T-HA A 4.598 ambi=1 { CA:56.129 } atom: 64 7I-HA A 4.013 ambi=1 { CA:58.396 } ::sumAvg: 4.45 atom: 64 7I-HA A 4.013 ambi=1 { CA:58.396 } atom: 80 8T-HG2 G2 0.879 ambi=1 { CG2:20.715 } ::sumAvg: 3.755 atom: 64 7I-HA A 4.013 ambi=1 { CA:58.396 } atom: 86 9D-H N 8.34 ambi=1 { N:124.413 } ::sumAvg: 4.99 atom: 64 7I-HA A 4.013 ambi=1 { CA:58.396 } atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } ::sumAvg: 4.935 atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 64 7I-HA A 4.013 ambi=1 { CA:58.396 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 64 7I-HA A 4.013 ambi=1 { CA:58.396 } ::sumAvg: 4.715 atom: 65 7I-HB B 0.301 ambi=1 { CB:36.031 } atom: 78 8T-HA A 4.598 ambi=1 { CA:56.129 } ::sumAvg: 4.895 atom: 78 8T-HA A 4.598 ambi=1 { CA:56.129 } atom: 65 7I-HB B 0.301 ambi=1 { CB:36.031 } ::sumAvg: 4.895 atom: 65 7I-HB B 0.301 ambi=1 { CB:36.031 } atom: 86 9D-H N 8.34 ambi=1 { N:124.413 } ::sumAvg: 4.625 atom: 65 7I-HB B 0.301 ambi=1 { CB:36.031 } atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } ::sumAvg: 3.81 atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } atom: 65 7I-HB B 0.301 ambi=1 { CB:36.031 } ::sumAvg: 3.81 atom: 65 7I-HB B 0.301 ambi=1 { CB:36.031 } atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } ::sumAvg: 2.945 atom: 65 7I-HB B 0.301 ambi=1 { CB:36.031 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } ::sumAvg: 3.515 atom: 65 7I-HB B 0.301 ambi=1 { CB:36.031 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } ::sumAvg: 3.32 atom: 65 7I-HB B 0.301 ambi=1 { CB:36.031 } atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } ::sumAvg: 3.605 atom: 65 7I-HB B 0.301 ambi=1 { CB:36.031 } atom: 1322 114T-HB B 4.554 ambi=1 { CB:66.973 } ::sumAvg: 4.475 atom: 1322 114T-HB B 4.554 ambi=1 { CB:66.973 } atom: 65 7I-HB B 0.301 ambi=1 { CB:36.031 } ::sumAvg: 4.475 atom: 65 7I-HB B 0.301 ambi=1 { CB:36.031 } atom: 1323 114T-HG2 G2 1.487 ambi=1 { CG2:23.729 } ::sumAvg: 4.895 atom: 65 7I-HB B 0.301 ambi=1 { CB:36.031 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } ::sumAvg: 4.97 atom: 65 7I-HB B 0.301 ambi=1 { CB:36.031 } atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } ::sumAvg: 4.82 atom: 78 8T-HA A 4.598 ambi=1 { CA:56.129 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 78 8T-HA A 4.598 ambi=1 { CA:56.129 } atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } ::sumAvg: 4.65 atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 78 8T-HA A 4.598 ambi=1 { CA:56.129 } :: atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } atom: 78 8T-HA A 4.598 ambi=1 { CA:56.129 } ::sumAvg: 4.65 atom: 78 8T-HA A 4.598 ambi=1 { CA:56.129 } atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } :: atom: 78 8T-HA A 4.598 ambi=1 { CA:56.129 } atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } ::sumAvg: 3.355 atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } atom: 78 8T-HA A 4.598 ambi=1 { CA:56.129 } :: atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } atom: 78 8T-HA A 4.598 ambi=1 { CA:56.129 } ::sumAvg: 3.355 atom: 78 8T-HA A 4.598 ambi=1 { CA:56.129 } atom: 600 50N-HD21 D2 7.862 ambi=1 { ND2:110.553 } :: atom: 78 8T-HA A 4.598 ambi=1 { CA:56.129 } atom: 601 50N-HD22 D2 6.511 ambi=1 { ND2:110.553 } ::sumAvg: 3.1 atom: 78 8T-HA A 4.598 ambi=1 { CA:56.129 } atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } ::sumAvg: 4.23 atom: 78 8T-HA A 4.598 ambi=1 { CA:56.129 } atom: 68 7I-HG2 G2 0.611 ambi=1 { CG2:18.146 } ::sumAvg: 3.73 atom: 68 7I-HG2 G2 0.611 ambi=1 { CG2:18.146 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 68 7I-HG2 G2 0.611 ambi=1 { CG2:18.146 } atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } ::sumAvg: 3.51 atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 68 7I-HG2 G2 0.611 ambi=1 { CG2:18.146 } :: atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } atom: 68 7I-HG2 G2 0.611 ambi=1 { CG2:18.146 } ::sumAvg: 3.51 atom: 68 7I-HG2 G2 0.611 ambi=1 { CG2:18.146 } atom: 87 9D-HA A 4.481 ambi=1 { CA:56.433 } ::sumAvg: 3.76 atom: 87 9D-HA A 4.481 ambi=1 { CA:56.433 } atom: 68 7I-HG2 G2 0.611 ambi=1 { CG2:18.146 } ::sumAvg: 3.76 atom: 68 7I-HG2 G2 0.611 ambi=1 { CG2:18.146 } atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } ::sumAvg: 3.635 atom: 68 7I-HG2 G2 0.611 ambi=1 { CG2:18.146 } atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } ::sumAvg: 4.03 atom: 68 7I-HG2 G2 0.611 ambi=1 { CG2:18.146 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } ::sumAvg: 4.115 atom: 68 7I-HG2 G2 0.611 ambi=1 { CG2:18.146 } atom: 1320 114T-H N 8.032 ambi=1 { N:110.723 } ::sumAvg: 4.94 atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } atom: 80 8T-HG2 G2 0.879 ambi=1 { CG2:20.715 } ::sumAvg: 4.985 atom: 80 8T-HG2 G2 0.879 ambi=1 { CG2:20.715 } atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } ::sumAvg: 4.985 atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } ::sumAvg: 4.985 atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } ::sumAvg: 4.05 atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } ::sumAvg: 4.05 atom: 1322 114T-HB B 4.554 ambi=1 { CB:66.973 } atom: 69 7I-HD1 D1 0.455 ambi=1 { CD1:9.828 } ::sumAvg: 3.755 atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 95 10M-HA A 4.648 ambi=1 { CA:55.151 } :: atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } atom: 95 10M-HA A 4.648 ambi=1 { CA:55.151 } ::sumAvg: 4.57 atom: 95 10M-HA A 4.648 ambi=1 { CA:55.151 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 95 10M-HA A 4.648 ambi=1 { CA:55.151 } atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } ::sumAvg: 4.57 atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } :: atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } ::sumAvg: 3.965 atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } ::sumAvg: 3.965 atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 4.17 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } ::sumAvg: 4.17 atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 100 10M-HE E 2 ambi=1 { CE:18.34 } :: atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } atom: 100 10M-HE E 2 ambi=1 { CE:18.34 } ::sumAvg: 4.385 atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } :: atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } ::sumAvg: 3.805 atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } ::sumAvg: 3.805 atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } :: atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } ::sumAvg: 2.89 atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } :: atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } ::sumAvg: 4.2 atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } ::sumAvg: 4.2 atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 578 48K-HD2 D 1.379 ambi=2 { CD:29.84 } :: atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 579 48K-HD3 D 1.181 ambi=2 { CD:29.84 } :: atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } atom: 578 48K-HD2 D 1.379 ambi=2 { CD:29.84 } :: atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } atom: 579 48K-HD3 D 1.181 ambi=2 { CD:29.84 } ::sumAvg: 4.16 atom: 578 48K-HD2 D 1.379 ambi=2 { CD:29.84 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 579 48K-HD3 D 1.181 ambi=2 { CD:29.84 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 578 48K-HD2 D 1.379 ambi=2 { CD:29.84 } atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } :: atom: 579 48K-HD3 D 1.181 ambi=2 { CD:29.84 } atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } ::sumAvg: 4.16 atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 580 48K-HE2 E 2.558 ambi=2 { CE:41.767 } :: atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 581 48K-HE3 E 2.36 ambi=2 { CE:41.767 } ::sumAvg: 4.8 atom: 580 48K-HE2 E 2.558 ambi=2 { CE:41.767 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 581 48K-HE3 E 2.36 ambi=2 { CE:41.767 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } ::sumAvg: 4.8 atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } :: atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } ::sumAvg: 4.185 atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } ::sumAvg: 4.185 atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } :: atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } ::sumAvg: 4.315 atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } ::sumAvg: 4.315 atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } :: atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } ::sumAvg: 4.11 atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } ::sumAvg: 4.11 atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } :: atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } ::sumAvg: 4.13 atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } :: atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } ::sumAvg: 4.48 atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } ::sumAvg: 4.48 atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 1323 114T-HG2 G2 1.487 ambi=1 { CG2:23.729 } :: atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } atom: 1323 114T-HG2 G2 1.487 ambi=1 { CG2:23.729 } ::sumAvg: 4.5 atom: 1323 114T-HG2 G2 1.487 ambi=1 { CG2:23.729 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 1323 114T-HG2 G2 1.487 ambi=1 { CG2:23.729 } atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } ::sumAvg: 4.5 atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } :: atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } :: atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } :: atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } ::sumAvg: 4.955 atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } atom: 88 9D-HB2 B 3.059 ambi=2 { CB:42.666 } :: atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } :: atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } atom: 89 9D-HB3 B 2.72 ambi=2 { CB:42.666 } ::sumAvg: 4.955 atom: 80 8T-HG2 G2 0.879 ambi=1 { CG2:20.715 } atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } :: atom: 80 8T-HG2 G2 0.879 ambi=1 { CG2:20.715 } atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } ::sumAvg: 3.725 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 86 9D-H N 8.34 ambi=1 { N:124.413 } ::sumAvg: 4.945 atom: 1323 114T-HG2 G2 1.487 ambi=1 { CG2:23.729 } atom: 86 9D-H N 8.34 ambi=1 { N:124.413 } ::sumAvg: 4.955 atom: 87 9D-HA A 4.481 ambi=1 { CA:56.433 } atom: 1323 114T-HG2 G2 1.487 ambi=1 { CG2:23.729 } ::sumAvg: 4.08 atom: 1323 114T-HG2 G2 1.487 ambi=1 { CG2:23.729 } atom: 87 9D-HA A 4.481 ambi=1 { CA:56.433 } ::sumAvg: 4.08 atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } atom: 94 10M-H N 8.715 ambi=1 { N:115.48 } ::sumAvg: 2.685 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 94 10M-H N 8.715 ambi=1 { N:115.48 } ::sumAvg: 3.11 atom: 95 10M-HA A 4.648 ambi=1 { CA:55.151 } atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } ::sumAvg: 2.27 atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } atom: 95 10M-HA A 4.648 ambi=1 { CA:55.151 } ::sumAvg: 2.27 atom: 95 10M-HA A 4.648 ambi=1 { CA:55.151 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 2.905 atom: 100 10M-HE E 2 ambi=1 { CE:18.34 } atom: 95 10M-HA A 4.648 ambi=1 { CA:55.151 } ::sumAvg: 4.955 atom: 95 10M-HA A 4.648 ambi=1 { CA:55.151 } atom: 110 11T-HG2 G2 1.286 ambi=1 { CG2:21.938 } ::sumAvg: 3.555 atom: 110 11T-HG2 G2 1.286 ambi=1 { CG2:21.938 } atom: 95 10M-HA A 4.648 ambi=1 { CA:55.151 } ::sumAvg: 3.555 atom: 143 14E-QB B 1.789 ambi=2 { CB:30.756 } atom: 95 10M-HA A 4.648 ambi=1 { CA:55.151 } ::sumAvg: 4.52 atom: 145 14E-HG2 G 2.327 ambi=2 { CG:37.828 } atom: 95 10M-HA A 4.648 ambi=1 { CA:55.151 } :: atom: 146 14E-HG3 G 2.019 ambi=2 { CG:37.828 } atom: 95 10M-HA A 4.648 ambi=1 { CA:55.151 } ::sumAvg: 4.365 atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } atom: 95 10M-HA A 4.648 ambi=1 { CA:55.151 } :: atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } atom: 95 10M-HA A 4.648 ambi=1 { CA:55.151 } ::sumAvg: 4.335 atom: 578 48K-HD2 D 1.379 ambi=2 { CD:29.84 } atom: 95 10M-HA A 4.648 ambi=1 { CA:55.151 } :: atom: 579 48K-HD3 D 1.181 ambi=2 { CD:29.84 } atom: 95 10M-HA A 4.648 ambi=1 { CA:55.151 } ::sumAvg: 4.59 atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } atom: 107 11T-H N 8.816 ambi=1 { N:113.52 } ::sumAvg: 2.985 atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } atom: 108 11T-HA A 4.35 ambi=1 { CA:60.557 } ::sumAvg: 4.64 atom: 108 11T-HA A 4.35 ambi=1 { CA:60.557 } atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } ::sumAvg: 4.64 atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } atom: 110 11T-HG2 G2 1.286 ambi=1 { CG2:21.938 } ::sumAvg: 4.53 atom: 110 11T-HG2 G2 1.286 ambi=1 { CG2:21.938 } atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } ::sumAvg: 4.53 atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } ::sumAvg: 4.14 atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } atom: 153 15L-HA A 4.06 ambi=1 { CA:57.4 } ::sumAvg: 4.15 atom: 157 15L-HD1 D1 0.863 ambi=2 { CD1:25.427 } atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } :: atom: 158 15L-HD2 D2 0.849 ambi=2 { CD2:25.527 } atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } ::sumAvg: 3.925 atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } ::sumAvg: 4.835 atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } ::sumAvg: 4.835 atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } atom: 578 48K-HD2 D 1.379 ambi=2 { CD:29.84 } :: atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } atom: 579 48K-HD3 D 1.181 ambi=2 { CD:29.84 } ::sumAvg: 4.43 atom: 578 48K-HD2 D 1.379 ambi=2 { CD:29.84 } atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } :: atom: 579 48K-HD3 D 1.181 ambi=2 { CD:29.84 } atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } ::sumAvg: 4.43 atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } ::sumAvg: 4.705 atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } ::sumAvg: 4.325 atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } ::sumAvg: 4.325 atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } ::sumAvg: 4.78 atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } ::sumAvg: 3.825 atom: 96 10M-QB B 2.081 ambi=2 { CB:36.605 } atom: 813 67F-HZ Z 6.967 ambi=1 { CZ:128.1 } ::sumAvg: 4.16 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 107 11T-H N 8.816 ambi=1 { N:113.52 } ::sumAvg: 3.35 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 110 11T-HG2 G2 1.286 ambi=1 { CG2:21.938 } ::sumAvg: 4.805 atom: 110 11T-HG2 G2 1.286 ambi=1 { CG2:21.938 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 4.805 atom: 143 14E-QB B 1.789 ambi=2 { CB:30.756 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 3.79 atom: 146 14E-HG3 G 2.019 ambi=2 { CG:37.828 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 4.17 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } ::sumAvg: 4.315 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 153 15L-HA A 4.06 ambi=1 { CA:57.4 } ::sumAvg: 4.51 atom: 153 15L-HA A 4.06 ambi=1 { CA:57.4 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 4.51 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } ::sumAvg: 4.37 atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 4.37 atom: 156 15L-HG G 1.757 ambi=1 { CG:25.963 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 4.985 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 157 15L-HD1 D1 0.863 ambi=2 { CD1:25.427 } :: atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 158 15L-HD2 D2 0.849 ambi=2 { CD2:25.527 } ::sumAvg: 3.965 atom: 157 15L-HD1 D1 0.863 ambi=2 { CD1:25.427 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } :: atom: 158 15L-HD2 D2 0.849 ambi=2 { CD2:25.527 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 3.965 atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } :: atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 3.53 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } ::sumAvg: 4.975 atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 4.975 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 578 48K-HD2 D 1.379 ambi=2 { CD:29.84 } :: atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 579 48K-HD3 D 1.181 ambi=2 { CD:29.84 } ::sumAvg: 4.07 atom: 578 48K-HD2 D 1.379 ambi=2 { CD:29.84 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } :: atom: 579 48K-HD3 D 1.181 ambi=2 { CD:29.84 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 4.07 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } ::sumAvg: 4.7 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } ::sumAvg: 4.185 atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 4.185 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } ::sumAvg: 4.55 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } ::sumAvg: 4.695 atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } ::sumAvg: 4.695 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 600 50N-HD21 D2 7.862 ambi=1 { ND2:110.553 } :: atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 601 50N-HD22 D2 6.511 ambi=1 { ND2:110.553 } ::sumAvg: 3.585 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } ::sumAvg: 4.775 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 792 65R-HB3 B 0.986 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.75 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } ::sumAvg: 4.995 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } ::sumAvg: 3.945 atom: 98 10M-QG G 2.425 ambi=2 { CG:34.771 } atom: 813 67F-HZ Z 6.967 ambi=1 { CZ:128.1 } ::sumAvg: 4.895 atom: 100 10M-HE E 2 ambi=1 { CE:18.34 } atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } ::sumAvg: 4.825 atom: 100 10M-HE E 2 ambi=1 { CE:18.34 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } ::sumAvg: 4.915 atom: 100 10M-HE E 2 ambi=1 { CE:18.34 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } ::sumAvg: 4.34 atom: 100 10M-HE E 2 ambi=1 { CE:18.34 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } ::sumAvg: 3.765 atom: 100 10M-HE E 2 ambi=1 { CE:18.34 } atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } ::sumAvg: 4.48 atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } atom: 100 10M-HE E 2 ambi=1 { CE:18.34 } ::sumAvg: 4.48 atom: 100 10M-HE E 2 ambi=1 { CE:18.34 } atom: 762 63L-HA A 4.523 ambi=1 { CA:55.779 } ::sumAvg: 4.515 atom: 100 10M-HE E 2 ambi=1 { CE:18.34 } atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } :: atom: 100 10M-HE E 2 ambi=1 { CE:18.34 } atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } ::sumAvg: 4.69 atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } atom: 100 10M-HE E 2 ambi=1 { CE:18.34 } :: atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } atom: 100 10M-HE E 2 ambi=1 { CE:18.34 } ::sumAvg: 4.69 atom: 100 10M-HE E 2 ambi=1 { CE:18.34 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } ::sumAvg: 4.65 atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 100 10M-HE E 2 ambi=1 { CE:18.34 } ::sumAvg: 4.65 atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } atom: 107 11T-H N 8.816 ambi=1 { N:113.52 } ::sumAvg: 3.68 atom: 143 14E-QB B 1.789 ambi=2 { CB:30.756 } atom: 107 11T-H N 8.816 ambi=1 { N:113.52 } ::sumAvg: 3.44 atom: 145 14E-HG2 G 2.327 ambi=2 { CG:37.828 } atom: 107 11T-H N 8.816 ambi=1 { N:113.52 } :: atom: 146 14E-HG3 G 2.019 ambi=2 { CG:37.828 } atom: 107 11T-H N 8.816 ambi=1 { N:113.52 } ::sumAvg: 3.09 atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } atom: 108 11T-HA A 4.35 ambi=1 { CA:60.557 } ::sumAvg: 2.47 atom: 108 11T-HA A 4.35 ambi=1 { CA:60.557 } atom: 117 12I-HA A 3.852 ambi=1 { CA:64.19 } ::sumAvg: 4.395 atom: 117 12I-HA A 3.852 ambi=1 { CA:64.19 } atom: 108 11T-HA A 4.35 ambi=1 { CA:60.557 } ::sumAvg: 4.395 atom: 108 11T-HA A 4.35 ambi=1 { CA:60.557 } atom: 118 12I-HB B 1.873 ambi=1 { CB:37.391 } ::sumAvg: 4.825 atom: 119 12I-HG12 G1 1.555 ambi=2 { CG1:28.756 } atom: 108 11T-HA A 4.35 ambi=1 { CA:60.557 } :: atom: 120 12I-HG13 G1 1.326 ambi=2 { CG1:28.756 } atom: 108 11T-HA A 4.35 ambi=1 { CA:60.557 } ::sumAvg: 3.995 atom: 108 11T-HA A 4.35 ambi=1 { CA:60.557 } atom: 130 13E-H N 8.312 ambi=1 { N:122.63 } ::sumAvg: 4.285 atom: 108 11T-HA A 4.35 ambi=1 { CA:60.557 } atom: 141 14E-H N 7.596 ambi=1 { N:119.718 } ::sumAvg: 4.99 atom: 108 11T-HA A 4.35 ambi=1 { CA:60.557 } atom: 157 15L-HD1 D1 0.863 ambi=2 { CD1:25.427 } :: atom: 108 11T-HA A 4.35 ambi=1 { CA:60.557 } atom: 158 15L-HD2 D2 0.849 ambi=2 { CD2:25.527 } ::sumAvg: 4.445 atom: 108 11T-HA A 4.35 ambi=1 { CA:60.557 } atom: 601 50N-HD22 D2 6.511 ambi=1 { ND2:110.553 } ::sumAvg: 4.455 atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } atom: 110 11T-HG2 G2 1.286 ambi=1 { CG2:21.938 } ::sumAvg: 2.15 atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } atom: 116 12I-H N 8.671 ambi=1 { N:120.247 } ::sumAvg: 2.385 atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } atom: 117 12I-HA A 3.852 ambi=1 { CA:64.19 } ::sumAvg: 4.8 atom: 117 12I-HA A 3.852 ambi=1 { CA:64.19 } atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } ::sumAvg: 4.8 atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } atom: 118 12I-HB B 1.873 ambi=1 { CB:37.391 } ::sumAvg: 4.125 atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } atom: 119 12I-HG12 G1 1.555 ambi=2 { CG1:28.756 } :: atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } atom: 120 12I-HG13 G1 1.326 ambi=2 { CG1:28.756 } ::sumAvg: 4.5 atom: 119 12I-HG12 G1 1.555 ambi=2 { CG1:28.756 } atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } :: atom: 120 12I-HG13 G1 1.326 ambi=2 { CG1:28.756 } atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } ::sumAvg: 4.5 atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } atom: 130 13E-H N 8.312 ambi=1 { N:122.63 } ::sumAvg: 2.905 atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } atom: 132 13E-QB B 2.002 ambi=2 { CB:28.658 } ::sumAvg: 3.685 atom: 132 13E-QB B 2.002 ambi=2 { CB:28.658 } atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } ::sumAvg: 3.685 atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } atom: 134 13E-HG2 G 2.388 ambi=2 { CG:36.537 } :: atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } atom: 135 13E-HG3 G 2.314 ambi=2 { CG:36.537 } ::sumAvg: 3.66 atom: 134 13E-HG2 G 2.388 ambi=2 { CG:36.537 } atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } :: atom: 135 13E-HG3 G 2.314 ambi=2 { CG:36.537 } atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } ::sumAvg: 3.66 atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } atom: 141 14E-H N 7.596 ambi=1 { N:119.718 } ::sumAvg: 4.275 atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } atom: 145 14E-HG2 G 2.327 ambi=2 { CG:37.828 } :: atom: 109 11T-HB B 4.752 ambi=1 { CB:71.158 } atom: 146 14E-HG3 G 2.019 ambi=2 { CG:37.828 } ::sumAvg: 4.975 atom: 110 11T-HG2 G2 1.286 ambi=1 { CG2:21.938 } atom: 132 13E-QB B 2.002 ambi=2 { CB:28.658 } ::sumAvg: 4.165 atom: 132 13E-QB B 2.002 ambi=2 { CB:28.658 } atom: 110 11T-HG2 G2 1.286 ambi=1 { CG2:21.938 } ::sumAvg: 4.165 atom: 110 11T-HG2 G2 1.286 ambi=1 { CG2:21.938 } atom: 143 14E-QB B 1.789 ambi=2 { CB:30.756 } ::sumAvg: 4.75 atom: 143 14E-QB B 1.789 ambi=2 { CB:30.756 } atom: 110 11T-HG2 G2 1.286 ambi=1 { CG2:21.938 } ::sumAvg: 4.75 atom: 145 14E-HG2 G 2.327 ambi=2 { CG:37.828 } atom: 110 11T-HG2 G2 1.286 ambi=1 { CG2:21.938 } :: atom: 146 14E-HG3 G 2.019 ambi=2 { CG:37.828 } atom: 110 11T-HG2 G2 1.286 ambi=1 { CG2:21.938 } ::sumAvg: 4.31 atom: 132 13E-QB B 2.002 ambi=2 { CB:28.658 } atom: 116 12I-H N 8.671 ambi=1 { N:120.247 } ::sumAvg: 4.665 atom: 134 13E-HG2 G 2.388 ambi=2 { CG:36.537 } atom: 116 12I-H N 8.671 ambi=1 { N:120.247 } :: atom: 135 13E-HG3 G 2.314 ambi=2 { CG:36.537 } atom: 116 12I-H N 8.671 ambi=1 { N:120.247 } ::sumAvg: 4.365 atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } atom: 116 12I-H N 8.671 ambi=1 { N:120.247 } ::sumAvg: 4.355 atom: 117 12I-HA A 3.852 ambi=1 { CA:64.19 } atom: 156 15L-HG G 1.757 ambi=1 { CG:25.963 } ::sumAvg: 4.325 atom: 118 12I-HB B 1.873 ambi=1 { CB:37.391 } atom: 131 13E-HA A 3.974 ambi=1 { CA:60.196 } ::sumAvg: 4.525 atom: 131 13E-HA A 3.974 ambi=1 { CA:60.196 } atom: 118 12I-HB B 1.873 ambi=1 { CB:37.391 } ::sumAvg: 4.525 atom: 134 13E-HG2 G 2.388 ambi=2 { CG:36.537 } atom: 118 12I-HB B 1.873 ambi=1 { CB:37.391 } :: atom: 135 13E-HG3 G 2.314 ambi=2 { CG:36.537 } atom: 118 12I-HB B 1.873 ambi=1 { CB:37.391 } ::sumAvg: 3.765 atom: 119 12I-HG12 G1 1.555 ambi=2 { CG1:28.756 } atom: 130 13E-H N 8.312 ambi=1 { N:122.63 } :: atom: 120 12I-HG13 G1 1.326 ambi=2 { CG1:28.756 } atom: 130 13E-H N 8.312 ambi=1 { N:122.63 } ::sumAvg: 4.415 atom: 121 12I-HG2 G2 0.929 ambi=1 { CG2:17.478 } atom: 132 13E-QB B 2.002 ambi=2 { CB:28.658 } ::sumAvg: 4.69 atom: 132 13E-QB B 2.002 ambi=2 { CB:28.658 } atom: 121 12I-HG2 G2 0.929 ambi=1 { CG2:17.478 } ::sumAvg: 4.69 atom: 121 12I-HG2 G2 0.929 ambi=1 { CG2:17.478 } atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } ::sumAvg: 4.62 atom: 121 12I-HG2 G2 0.929 ambi=1 { CG2:17.478 } atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } ::sumAvg: 3.365 atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } atom: 121 12I-HG2 G2 0.929 ambi=1 { CG2:17.478 } ::sumAvg: 3.365 atom: 121 12I-HG2 G2 0.929 ambi=1 { CG2:17.478 } atom: 166 16S-H N 7.54 ambi=1 { N:108.757 } ::sumAvg: 3.94 atom: 122 12I-HD1 D1 0.887 ambi=1 { CD1:12.584 } atom: 130 13E-H N 8.312 ambi=1 { N:122.63 } ::sumAvg: 4.68 atom: 145 14E-HG2 G 2.327 ambi=2 { CG:37.828 } atom: 130 13E-H N 8.312 ambi=1 { N:122.63 } :: atom: 146 14E-HG3 G 2.019 ambi=2 { CG:37.828 } atom: 130 13E-H N 8.312 ambi=1 { N:122.63 } ::sumAvg: 4.58 atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } atom: 130 13E-H N 8.312 ambi=1 { N:122.63 } ::sumAvg: 4.495 atom: 131 13E-HA A 3.974 ambi=1 { CA:60.196 } atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } ::sumAvg: 4.45 atom: 132 13E-QB B 2.002 ambi=2 { CB:28.658 } atom: 142 14E-HA A 3.716 ambi=1 { CA:59.594 } ::sumAvg: 3.955 atom: 132 13E-QB B 2.002 ambi=2 { CB:28.658 } atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } ::sumAvg: 4.41 atom: 132 13E-QB B 2.002 ambi=2 { CB:28.658 } atom: 166 16S-H N 7.54 ambi=1 { N:108.757 } ::sumAvg: 4.92 atom: 143 14E-QB B 1.789 ambi=2 { CB:30.756 } atom: 141 14E-H N 7.596 ambi=1 { N:119.718 } ::sumAvg: 2.545 atom: 176 17R-HB2 B 2.279 ambi=1 { CB:31.263 } atom: 141 14E-H N 7.596 ambi=1 { N:119.718 } :: atom: 177 17R-HB3 B 1.63 ambi=2 { CB:31.263 } atom: 141 14E-H N 7.596 ambi=1 { N:119.718 } ::sumAvg: 4.71 atom: 142 14E-HA A 3.716 ambi=1 { CA:59.594 } atom: 174 17R-H N 7.36 ambi=1 { N:124.591 } ::sumAvg: 3.595 atom: 176 17R-HB2 B 2.279 ambi=1 { CB:31.263 } atom: 142 14E-HA A 3.716 ambi=1 { CA:59.594 } :: atom: 177 17R-HB3 B 1.63 ambi=2 { CB:31.263 } atom: 142 14E-HA A 3.716 ambi=1 { CA:59.594 } ::sumAvg: 2.34 atom: 178 17R-HG2 G 2.114 ambi=2 { CG:25.85 } atom: 142 14E-HA A 3.716 ambi=1 { CA:59.594 } :: atom: 179 17R-HG3 G 1.837 ambi=2 { CG:25.85 } atom: 142 14E-HA A 3.716 ambi=1 { CA:59.594 } ::sumAvg: 4.54 atom: 142 14E-HA A 3.716 ambi=1 { CA:59.594 } atom: 181 17R-HD3 D 3.189 ambi=2 { CD:44.455 } ::sumAvg: 3.315 atom: 181 17R-HD3 D 3.189 ambi=2 { CD:44.455 } atom: 142 14E-HA A 3.716 ambi=1 { CA:59.594 } ::sumAvg: 3.315 atom: 142 14E-HA A 3.716 ambi=1 { CA:59.594 } atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } ::sumAvg: 3.765 atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } atom: 142 14E-HA A 3.716 ambi=1 { CA:59.594 } ::sumAvg: 3.765 atom: 143 14E-QB B 1.789 ambi=2 { CB:30.756 } atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } ::sumAvg: 3.15 atom: 143 14E-QB B 1.789 ambi=2 { CB:30.756 } atom: 153 15L-HA A 4.06 ambi=1 { CA:57.4 } ::sumAvg: 4.24 atom: 143 14E-QB B 1.789 ambi=2 { CB:30.756 } atom: 166 16S-H N 7.54 ambi=1 { N:108.757 } ::sumAvg: 4.88 atom: 143 14E-QB B 1.789 ambi=2 { CB:30.756 } atom: 174 17R-H N 7.36 ambi=1 { N:124.591 } ::sumAvg: 4.7 atom: 143 14E-QB B 1.789 ambi=2 { CB:30.756 } atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } ::sumAvg: 4.265 atom: 143 14E-QB B 1.789 ambi=2 { CB:30.756 } atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } ::sumAvg: 4.515 atom: 143 14E-QB B 1.789 ambi=2 { CB:30.756 } atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } ::sumAvg: 3.875 atom: 143 14E-QB B 1.789 ambi=2 { CB:30.756 } atom: 813 67F-HZ Z 6.967 ambi=1 { CZ:128.1 } ::sumAvg: 4.405 atom: 143 14E-QB B 1.789 ambi=2 { CB:30.756 } atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } ::sumAvg: 4.925 atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } atom: 143 14E-QB B 1.789 ambi=2 { CB:30.756 } ::sumAvg: 4.925 atom: 145 14E-HG2 G 2.327 ambi=2 { CG:37.828 } atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } :: atom: 146 14E-HG3 G 2.019 ambi=2 { CG:37.828 } atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } ::sumAvg: 3.495 atom: 145 14E-HG2 G 2.327 ambi=2 { CG:37.828 } atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } ::sumAvg: 4.875 atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } atom: 145 14E-HG2 G 2.327 ambi=2 { CG:37.828 } ::sumAvg: 4.875 atom: 145 14E-HG2 G 2.327 ambi=2 { CG:37.828 } atom: 177 17R-HB3 B 1.63 ambi=2 { CB:31.263 } ::sumAvg: 4.92 atom: 145 14E-HG2 G 2.327 ambi=2 { CG:37.828 } atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } :: atom: 146 14E-HG3 G 2.019 ambi=2 { CG:37.828 } atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } ::sumAvg: 4.33 atom: 145 14E-HG2 G 2.327 ambi=2 { CG:37.828 } atom: 813 67F-HZ Z 6.967 ambi=1 { CZ:128.1 } :: atom: 146 14E-HG3 G 2.019 ambi=2 { CG:37.828 } atom: 813 67F-HZ Z 6.967 ambi=1 { CZ:128.1 } ::sumAvg: 4.66 atom: 168 16S-HB2 B 3.979 ambi=2 { CB:64.715 } atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } :: atom: 169 16S-HB3 B 3.897 ambi=2 { CB:64.715 } atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } ::sumAvg: 4.99 atom: 176 17R-HB2 B 2.279 ambi=1 { CB:31.263 } atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } :: atom: 177 17R-HB3 B 1.63 ambi=2 { CB:31.263 } atom: 152 15L-H N 8.124 ambi=1 { N:117.156 } ::sumAvg: 4.85 atom: 153 15L-HA A 4.06 ambi=1 { CA:57.4 } atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } ::sumAvg: 2.715 atom: 153 15L-HA A 4.06 ambi=1 { CA:57.4 } atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } ::sumAvg: 4.995 atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } atom: 153 15L-HA A 4.06 ambi=1 { CA:57.4 } ::sumAvg: 4.995 atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } atom: 167 16S-HA A 4.4 ambi=1 { CA:58.64 } ::sumAvg: 4.2 atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } atom: 174 17R-H N 7.36 ambi=1 { N:124.591 } ::sumAvg: 4.47 atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } atom: 600 50N-HD21 D2 7.862 ambi=1 { ND2:110.553 } :: atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } atom: 601 50N-HD22 D2 6.511 ambi=1 { ND2:110.553 } ::sumAvg: 4.35 atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } atom: 766 63L-HD1 D1 1.215 ambi=2 { CD1:22.894 } :: atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } atom: 767 63L-HD2 D2 1.011 ambi=2 { CD2:26.163 } ::sumAvg: 3.54 atom: 154 15L-QB B 1.687 ambi=2 { CB:43.259 } atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } ::sumAvg: 4.65 atom: 156 15L-HG G 1.757 ambi=1 { CG:25.963 } atom: 166 16S-H N 7.54 ambi=1 { N:108.757 } ::sumAvg: 4.5 atom: 156 15L-HG G 1.757 ambi=1 { CG:25.963 } atom: 600 50N-HD21 D2 7.862 ambi=1 { ND2:110.553 } :: atom: 156 15L-HG G 1.757 ambi=1 { CG:25.963 } atom: 601 50N-HD22 D2 6.511 ambi=1 { ND2:110.553 } ::sumAvg: 4.665 atom: 156 15L-HG G 1.757 ambi=1 { CG:25.963 } atom: 752 62I-HG2 G2 0.987 ambi=1 { CG2:17.17 } ::sumAvg: 4.99 atom: 156 15L-HG G 1.757 ambi=1 { CG:25.963 } atom: 766 63L-HD1 D1 1.215 ambi=2 { CD1:22.894 } :: atom: 156 15L-HG G 1.757 ambi=1 { CG:25.963 } atom: 767 63L-HD2 D2 1.011 ambi=2 { CD2:26.163 } ::sumAvg: 2.96 atom: 156 15L-HG G 1.757 ambi=1 { CG:25.963 } atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } ::sumAvg: 4.575 atom: 157 15L-HD1 D1 0.863 ambi=2 { CD1:25.427 } atom: 166 16S-H N 7.54 ambi=1 { N:108.757 } :: atom: 158 15L-HD2 D2 0.849 ambi=2 { CD2:25.527 } atom: 166 16S-H N 7.54 ambi=1 { N:108.757 } ::sumAvg: 3.93 atom: 157 15L-HD1 D1 0.863 ambi=2 { CD1:25.427 } atom: 167 16S-HA A 4.4 ambi=1 { CA:58.64 } :: atom: 158 15L-HD2 D2 0.849 ambi=2 { CD2:25.527 } atom: 167 16S-HA A 4.4 ambi=1 { CA:58.64 } ::sumAvg: 4.27 atom: 157 15L-HD1 D1 0.863 ambi=2 { CD1:25.427 } atom: 174 17R-H N 7.36 ambi=1 { N:124.591 } :: atom: 158 15L-HD2 D2 0.849 ambi=2 { CD2:25.527 } atom: 174 17R-H N 7.36 ambi=1 { N:124.591 } ::sumAvg: 4.94 atom: 157 15L-HD1 D1 0.863 ambi=2 { CD1:25.427 } atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } :: atom: 158 15L-HD2 D2 0.849 ambi=2 { CD2:25.527 } atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } ::sumAvg: 4.855 atom: 765 63L-HG G 1.537 ambi=1 { CG:28.163 } atom: 157 15L-HD1 D1 0.863 ambi=2 { CD1:25.427 } :: atom: 765 63L-HG G 1.537 ambi=1 { CG:28.163 } atom: 158 15L-HD2 D2 0.849 ambi=2 { CD2:25.527 } ::sumAvg: 4.055 atom: 176 17R-HB2 B 2.279 ambi=1 { CB:31.263 } atom: 166 16S-H N 7.54 ambi=1 { N:108.757 } :: atom: 177 17R-HB3 B 1.63 ambi=2 { CB:31.263 } atom: 166 16S-H N 7.54 ambi=1 { N:108.757 } ::sumAvg: 4.345 atom: 175 17R-HA A 4.096 ambi=1 { CA:57.499 } atom: 180 17R-HD2 D 3.442 ambi=2 { CD:44.455 } :: atom: 175 17R-HA A 4.096 ambi=1 { CA:57.499 } atom: 181 17R-HD3 D 3.189 ambi=2 { CD:44.455 } ::sumAvg: 4.245 atom: 175 17R-HA A 4.096 ambi=1 { CA:57.499 } atom: 189 18D-HA A 4.908 ambi=1 { CA:54.179 } ::sumAvg: 4.41 atom: 189 18D-HA A 4.908 ambi=1 { CA:54.179 } atom: 175 17R-HA A 4.096 ambi=1 { CA:57.499 } ::sumAvg: 4.41 atom: 175 17R-HA A 4.096 ambi=1 { CA:57.499 } atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } ::sumAvg: 4.82 atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } atom: 175 17R-HA A 4.096 ambi=1 { CA:57.499 } ::sumAvg: 4.82 atom: 177 17R-HB3 B 1.63 ambi=2 { CB:31.263 } atom: 200 19W-HD1 D1 7.196 ambi=1 { CD1:126.687 } ::sumAvg: 3.95 atom: 177 17R-HB3 B 1.63 ambi=2 { CB:31.263 } atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } ::sumAvg: 4.185 atom: 177 17R-HB3 B 1.63 ambi=2 { CB:31.263 } atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } ::sumAvg: 4.77 atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } atom: 177 17R-HB3 B 1.63 ambi=2 { CB:31.263 } ::sumAvg: 4.77 atom: 178 17R-HG2 G 2.114 ambi=2 { CG:25.85 } atom: 189 18D-HA A 4.908 ambi=1 { CA:54.179 } :: atom: 179 17R-HG3 G 1.837 ambi=2 { CG:25.85 } atom: 189 18D-HA A 4.908 ambi=1 { CA:54.179 } ::sumAvg: 4.285 atom: 189 18D-HA A 4.908 ambi=1 { CA:54.179 } atom: 178 17R-HG2 G 2.114 ambi=2 { CG:25.85 } :: atom: 189 18D-HA A 4.908 ambi=1 { CA:54.179 } atom: 179 17R-HG3 G 1.837 ambi=2 { CG:25.85 } ::sumAvg: 4.285 atom: 178 17R-HG2 G 2.114 ambi=2 { CG:25.85 } atom: 190 18D-QB B 2.621 ambi=2 { CB:41.914 } :: atom: 179 17R-HG3 G 1.837 ambi=2 { CG:25.85 } atom: 190 18D-QB B 2.621 ambi=2 { CB:41.914 } ::sumAvg: 4.425 atom: 178 17R-HG2 G 2.114 ambi=2 { CG:25.85 } atom: 196 19W-H N 8.298 ambi=1 { N:120.059 } :: atom: 179 17R-HG3 G 1.837 ambi=2 { CG:25.85 } atom: 196 19W-H N 8.298 ambi=1 { N:120.059 } ::sumAvg: 4.73 atom: 178 17R-HG2 G 2.114 ambi=2 { CG:25.85 } atom: 197 19W-HA A 4.785 ambi=1 { CA:55.969 } :: atom: 179 17R-HG3 G 1.837 ambi=2 { CG:25.85 } atom: 197 19W-HA A 4.785 ambi=1 { CA:55.969 } ::sumAvg: 4.82 atom: 197 19W-HA A 4.785 ambi=1 { CA:55.969 } atom: 178 17R-HG2 G 2.114 ambi=2 { CG:25.85 } :: atom: 197 19W-HA A 4.785 ambi=1 { CA:55.969 } atom: 179 17R-HG3 G 1.837 ambi=2 { CG:25.85 } ::sumAvg: 4.82 atom: 198 19W-HB2 B 3.28 ambi=2 { CB:31.034 } atom: 178 17R-HG2 G 2.114 ambi=2 { CG:25.85 } :: atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } atom: 178 17R-HG2 G 2.114 ambi=2 { CG:25.85 } :: atom: 198 19W-HB2 B 3.28 ambi=2 { CB:31.034 } atom: 179 17R-HG3 G 1.837 ambi=2 { CG:25.85 } :: atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } atom: 179 17R-HG3 G 1.837 ambi=2 { CG:25.85 } ::sumAvg: 3.52 atom: 178 17R-HG2 G 2.114 ambi=2 { CG:25.85 } atom: 200 19W-HD1 D1 7.196 ambi=1 { CD1:126.687 } :: atom: 179 17R-HG3 G 1.837 ambi=2 { CG:25.85 } atom: 200 19W-HD1 D1 7.196 ambi=1 { CD1:126.687 } ::sumAvg: 3.575 atom: 178 17R-HG2 G 2.114 ambi=2 { CG:25.85 } atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } :: atom: 179 17R-HG3 G 1.837 ambi=2 { CG:25.85 } atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } ::sumAvg: 4.84 atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } atom: 178 17R-HG2 G 2.114 ambi=2 { CG:25.85 } :: atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } atom: 179 17R-HG3 G 1.837 ambi=2 { CG:25.85 } ::sumAvg: 4.84 atom: 178 17R-HG2 G 2.114 ambi=2 { CG:25.85 } atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } :: atom: 178 17R-HG2 G 2.114 ambi=2 { CG:25.85 } atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } :: atom: 179 17R-HG3 G 1.837 ambi=2 { CG:25.85 } atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } :: atom: 179 17R-HG3 G 1.837 ambi=2 { CG:25.85 } atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } ::sumAvg: 4.99 atom: 180 17R-HD2 D 3.442 ambi=2 { CD:44.455 } atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } ::sumAvg: 4.585 atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } atom: 180 17R-HD2 D 3.442 ambi=2 { CD:44.455 } ::sumAvg: 4.585 atom: 180 17R-HD2 D 3.442 ambi=2 { CD:44.455 } atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } :: atom: 181 17R-HD3 D 3.189 ambi=2 { CD:44.455 } atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } ::sumAvg: 4.96 atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } atom: 180 17R-HD2 D 3.442 ambi=2 { CD:44.455 } :: atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } atom: 181 17R-HD3 D 3.189 ambi=2 { CD:44.455 } ::sumAvg: 4.96 atom: 180 17R-HD2 D 3.442 ambi=2 { CD:44.455 } atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } :: atom: 181 17R-HD3 D 3.189 ambi=2 { CD:44.455 } atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } ::sumAvg: 4.52 atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } atom: 180 17R-HD2 D 3.442 ambi=2 { CD:44.455 } :: atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } atom: 181 17R-HD3 D 3.189 ambi=2 { CD:44.455 } ::sumAvg: 4.52 atom: 180 17R-HD2 D 3.442 ambi=2 { CD:44.455 } atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } :: atom: 180 17R-HD2 D 3.442 ambi=2 { CD:44.455 } atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } :: atom: 181 17R-HD3 D 3.189 ambi=2 { CD:44.455 } atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } :: atom: 181 17R-HD3 D 3.189 ambi=2 { CD:44.455 } atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } ::sumAvg: 3.525 atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } atom: 180 17R-HD2 D 3.442 ambi=2 { CD:44.455 } :: atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } atom: 180 17R-HD2 D 3.442 ambi=2 { CD:44.455 } :: atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } atom: 181 17R-HD3 D 3.189 ambi=2 { CD:44.455 } :: atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } atom: 181 17R-HD3 D 3.189 ambi=2 { CD:44.455 } ::sumAvg: 3.525 atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } atom: 188 18D-H N 8.663 ambi=1 { N:124.729 } ::sumAvg: 4.84 atom: 189 18D-HA A 4.908 ambi=1 { CA:54.179 } atom: 198 19W-HB2 B 3.28 ambi=2 { CB:31.034 } :: atom: 189 18D-HA A 4.908 ambi=1 { CA:54.179 } atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } ::sumAvg: 4.625 atom: 198 19W-HB2 B 3.28 ambi=2 { CB:31.034 } atom: 189 18D-HA A 4.908 ambi=1 { CA:54.179 } :: atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } atom: 189 18D-HA A 4.908 ambi=1 { CA:54.179 } ::sumAvg: 4.625 atom: 189 18D-HA A 4.908 ambi=1 { CA:54.179 } atom: 200 19W-HD1 D1 7.196 ambi=1 { CD1:126.687 } ::sumAvg: 3.135 atom: 190 18D-QB B 2.621 ambi=2 { CB:41.914 } atom: 197 19W-HA A 4.785 ambi=1 { CA:55.969 } ::sumAvg: 4.225 atom: 197 19W-HA A 4.785 ambi=1 { CA:55.969 } atom: 190 18D-QB B 2.621 ambi=2 { CB:41.914 } ::sumAvg: 4.225 atom: 190 18D-QB B 2.621 ambi=2 { CB:41.914 } atom: 200 19W-HD1 D1 7.196 ambi=1 { CD1:126.687 } ::sumAvg: 4.815 atom: 197 19W-HA A 4.785 ambi=1 { CA:55.969 } atom: 196 19W-H N 8.298 ambi=1 { N:120.059 } ::sumAvg: 2.91 atom: 217 20F-HA A 4.391 ambi=1 { CA:56.208 } atom: 196 19W-H N 8.298 ambi=1 { N:120.059 } ::sumAvg: 4.775 atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } atom: 196 19W-H N 8.298 ambi=1 { N:120.059 } ::sumAvg: 4.735 atom: 197 19W-HA A 4.785 ambi=1 { CA:55.969 } atom: 198 19W-HB2 B 3.28 ambi=2 { CB:31.034 } :: atom: 197 19W-HA A 4.785 ambi=1 { CA:55.969 } atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } ::sumAvg: 2.455 atom: 197 19W-HA A 4.785 ambi=1 { CA:55.969 } atom: 200 19W-HD1 D1 7.196 ambi=1 { CD1:126.687 } ::sumAvg: 4.215 atom: 197 19W-HA A 4.785 ambi=1 { CA:55.969 } atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } ::sumAvg: 4.625 atom: 197 19W-HA A 4.785 ambi=1 { CA:55.969 } atom: 216 20F-H N 8.455 ambi=1 { N:120.864 } ::sumAvg: 2.445 atom: 197 19W-HA A 4.785 ambi=1 { CA:55.969 } atom: 218 20F-HB2 B 2.93 ambi=2 { CB:41.136 } :: atom: 197 19W-HA A 4.785 ambi=1 { CA:55.969 } atom: 219 20F-HB3 B 2.832 ambi=2 { CB:41.136 } ::sumAvg: 4.275 atom: 218 20F-HB2 B 2.93 ambi=2 { CB:41.136 } atom: 197 19W-HA A 4.785 ambi=1 { CA:55.969 } :: atom: 219 20F-HB3 B 2.832 ambi=2 { CB:41.136 } atom: 197 19W-HA A 4.785 ambi=1 { CA:55.969 } ::sumAvg: 4.275 atom: 197 19W-HA A 4.785 ambi=1 { CA:55.969 } atom: 220 20F-QD D 7.091 ambi=3 { CD1:132.173 } ::sumAvg: 4.475 atom: 197 19W-HA A 4.785 ambi=1 { CA:55.969 } atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } ::sumAvg: 4.95 atom: 198 19W-HB2 B 3.28 ambi=2 { CB:31.034 } atom: 201 19W-HE1 E1 9.702 ambi=1 { NE1:129.351 } :: atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } atom: 201 19W-HE1 E1 9.702 ambi=1 { NE1:129.351 } ::sumAvg: 4.85 atom: 198 19W-HB2 B 3.28 ambi=2 { CB:31.034 } atom: 204 19W-HZ3 Z3 6.604 ambi=1 { CZ3:122.5 } :: atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } atom: 204 19W-HZ3 Z3 6.604 ambi=1 { CZ3:122.5 } ::sumAvg: 4.865 atom: 198 19W-HB2 B 3.28 ambi=2 { CB:31.034 } atom: 217 20F-HA A 4.391 ambi=1 { CA:56.208 } :: atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } atom: 217 20F-HA A 4.391 ambi=1 { CA:56.208 } ::sumAvg: 4.58 atom: 217 20F-HA A 4.391 ambi=1 { CA:56.208 } atom: 198 19W-HB2 B 3.28 ambi=2 { CB:31.034 } :: atom: 217 20F-HA A 4.391 ambi=1 { CA:56.208 } atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } ::sumAvg: 4.58 atom: 198 19W-HB2 B 3.28 ambi=2 { CB:31.034 } atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } :: atom: 198 19W-HB2 B 3.28 ambi=2 { CB:31.034 } atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } :: atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } :: atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } ::sumAvg: 4.68 atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } atom: 198 19W-HB2 B 3.28 ambi=2 { CB:31.034 } :: atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } atom: 198 19W-HB2 B 3.28 ambi=2 { CB:31.034 } :: atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } :: atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } ::sumAvg: 4.68 atom: 198 19W-HB2 B 3.28 ambi=2 { CB:31.034 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } :: atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 4.185 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 198 19W-HB2 B 3.28 ambi=2 { CB:31.034 } :: atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } ::sumAvg: 4.185 atom: 198 19W-HB2 B 3.28 ambi=2 { CB:31.034 } atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } :: atom: 199 19W-HB3 B 3.038 ambi=2 { CB:31.034 } atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } ::sumAvg: 2.8 atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } atom: 200 19W-HD1 D1 7.196 ambi=1 { CD1:126.687 } ::sumAvg: 3.74 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 200 19W-HD1 D1 7.196 ambi=1 { CD1:126.687 } ::sumAvg: 3.93 atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } atom: 201 19W-HE1 E1 9.702 ambi=1 { NE1:129.351 } ::sumAvg: 4.27 atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } atom: 201 19W-HE1 E1 9.702 ambi=1 { NE1:129.351 } :: atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } atom: 201 19W-HE1 E1 9.702 ambi=1 { NE1:129.351 } ::sumAvg: 4.915 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 201 19W-HE1 E1 9.702 ambi=1 { NE1:129.351 } ::sumAvg: 3.065 atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } atom: 201 19W-HE1 E1 9.702 ambi=1 { NE1:129.351 } ::sumAvg: 3.43 atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } atom: 201 19W-HE1 E1 9.702 ambi=1 { NE1:129.351 } :: atom: 899 76E-HB3 B 2.076 ambi=2 { CB:36.835 } atom: 201 19W-HE1 E1 9.702 ambi=1 { NE1:129.351 } ::sumAvg: 4.26 atom: 217 20F-HA A 4.391 ambi=1 { CA:56.208 } atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } ::sumAvg: 4.295 atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } ::sumAvg: 3.91 atom: 236 21M-HG2 G 2.136 ambi=2 { CG:33.813 } atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } :: atom: 237 21M-HG3 G 1.763 ambi=2 { CG:33.813 } atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } ::sumAvg: 4.31 atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } :: atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } ::sumAvg: 4.595 atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } ::sumAvg: 3.825 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } ::sumAvg: 3.7 atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 202 19W-HE3 E3 7.332 ambi=1 { CE3:121.4 } ::sumAvg: 4 atom: 413 35R-HD2 D 3.202 ambi=2 { CD:43.904 } atom: 203 19W-HZ2 Z2 6.96 ambi=1 { CZ2:112.742 } :: atom: 414 35R-HD3 D 3.025 ambi=2 { CD:43.904 } atom: 203 19W-HZ2 Z2 6.96 ambi=1 { CZ2:112.742 } ::sumAvg: 4.3 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 203 19W-HZ2 Z2 6.96 ambi=1 { CZ2:112.742 } ::sumAvg: 3.105 atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } atom: 203 19W-HZ2 Z2 6.96 ambi=1 { CZ2:112.742 } ::sumAvg: 4.85 atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } atom: 203 19W-HZ2 Z2 6.96 ambi=1 { CZ2:112.742 } :: atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } atom: 203 19W-HZ2 Z2 6.96 ambi=1 { CZ2:112.742 } ::sumAvg: 4.14 atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } atom: 204 19W-HZ3 Z3 6.604 ambi=1 { CZ3:122.5 } ::sumAvg: 3.47 atom: 236 21M-HG2 G 2.136 ambi=2 { CG:33.813 } atom: 204 19W-HZ3 Z3 6.604 ambi=1 { CZ3:122.5 } :: atom: 237 21M-HG3 G 1.763 ambi=2 { CG:33.813 } atom: 204 19W-HZ3 Z3 6.604 ambi=1 { CZ3:122.5 } ::sumAvg: 3.505 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 204 19W-HZ3 Z3 6.604 ambi=1 { CZ3:122.5 } ::sumAvg: 3.84 atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 204 19W-HZ3 Z3 6.604 ambi=1 { CZ3:122.5 } ::sumAvg: 3.34 atom: 236 21M-HG2 G 2.136 ambi=2 { CG:33.813 } atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } :: atom: 237 21M-HG3 G 1.763 ambi=2 { CG:33.813 } atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } ::sumAvg: 4.235 atom: 409 35R-HB2 B 2.019 ambi=2 { CB:34.338 } atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } :: atom: 410 35R-HB3 B 1.794 ambi=2 { CB:34.338 } atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } ::sumAvg: 3.435 atom: 411 35R-HG2 G 1.831 ambi=2 { CG:28.786 } atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } :: atom: 412 35R-HG3 G 1.518 ambi=2 { CG:28.786 } atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } ::sumAvg: 4.415 atom: 413 35R-HD2 D 3.202 ambi=2 { CD:43.904 } atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } :: atom: 414 35R-HD3 D 3.025 ambi=2 { CD:43.904 } atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } ::sumAvg: 4.37 atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } ::sumAvg: 4.855 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } ::sumAvg: 3.545 atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } ::sumAvg: 4.935 atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } :: atom: 899 76E-HB3 B 2.076 ambi=2 { CB:36.835 } atom: 205 19W-HH2 H2 6.586 ambi=1 { CH2:122.5 } ::sumAvg: 3.255 atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } atom: 216 20F-H N 8.455 ambi=1 { N:120.864 } ::sumAvg: 4.93 atom: 218 20F-HB2 B 2.93 ambi=2 { CB:41.136 } atom: 222 20F-QE E 7.265 ambi=3 { CE1:131.17 } :: atom: 219 20F-HB3 B 2.832 ambi=2 { CB:41.136 } atom: 222 20F-QE E 7.265 ambi=3 { CE1:131.17 } ::sumAvg: 4.375 atom: 218 20F-HB2 B 2.93 ambi=2 { CB:41.136 } atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } :: atom: 219 20F-HB3 B 2.832 ambi=2 { CB:41.136 } atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } ::sumAvg: 4.785 atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } atom: 218 20F-HB2 B 2.93 ambi=2 { CB:41.136 } :: atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } atom: 219 20F-HB3 B 2.832 ambi=2 { CB:41.136 } ::sumAvg: 4.785 atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } atom: 220 20F-QD D 7.091 ambi=3 { CD1:132.173 } ::sumAvg: 4.075 atom: 245 22L-HA A 4.169 ambi=1 { CA:57.317 } atom: 220 20F-QD D 7.091 ambi=3 { CD1:132.173 } ::sumAvg: 3.645 atom: 246 22L-HB2 B 1.933 ambi=2 { CB:42.06 } atom: 220 20F-QD D 7.091 ambi=3 { CD1:132.173 } :: atom: 247 22L-HB3 B 1.586 ambi=2 { CB:42.06 } atom: 220 20F-QD D 7.091 ambi=3 { CD1:132.173 } ::sumAvg: 3.635 atom: 249 22L-HD1 D1 0.966 ambi=2 { CD1:24.474 } atom: 220 20F-QD D 7.091 ambi=3 { CD1:132.173 } :: atom: 250 22L-HD2 D2 0.923 ambi=2 { CD2:23.933 } atom: 220 20F-QD D 7.091 ambi=3 { CD1:132.173 } ::sumAvg: 3.825 atom: 245 22L-HA A 4.169 ambi=1 { CA:57.317 } atom: 222 20F-QE E 7.265 ambi=3 { CE1:131.17 } ::sumAvg: 3.93 atom: 246 22L-HB2 B 1.933 ambi=2 { CB:42.06 } atom: 222 20F-QE E 7.265 ambi=3 { CE1:131.17 } :: atom: 247 22L-HB3 B 1.586 ambi=2 { CB:42.06 } atom: 222 20F-QE E 7.265 ambi=3 { CE1:131.17 } ::sumAvg: 3.05 atom: 236 21M-HG2 G 2.136 ambi=2 { CG:33.813 } atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } :: atom: 237 21M-HG3 G 1.763 ambi=2 { CG:33.813 } atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } ::sumAvg: 3.095 atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } ::sumAvg: 3.73 atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } atom: 246 22L-HB2 B 1.933 ambi=2 { CB:42.06 } :: atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } atom: 247 22L-HB3 B 1.586 ambi=2 { CB:42.06 } ::sumAvg: 4.49 atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } atom: 249 22L-HD1 D1 0.966 ambi=2 { CD1:24.474 } :: atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } atom: 250 22L-HD2 D2 0.923 ambi=2 { CD2:23.933 } ::sumAvg: 4.445 atom: 249 22L-HD1 D1 0.966 ambi=2 { CD1:24.474 } atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } :: atom: 250 22L-HD2 D2 0.923 ambi=2 { CD2:23.933 } atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } ::sumAvg: 4.445 atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } ::sumAvg: 3.965 atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } atom: 276 24P-HD2 D 3.636 ambi=2 { CD:50.47 } :: atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } atom: 277 24P-HD3 D 3.215 ambi=2 { CD:50.47 } ::sumAvg: 4.61 atom: 276 24P-HD2 D 3.636 ambi=2 { CD:50.47 } atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } :: atom: 277 24P-HD3 D 3.215 ambi=2 { CD:50.47 } atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } ::sumAvg: 4.61 atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } ::sumAvg: 4.79 atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } ::sumAvg: 4.79 atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } :: atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } ::sumAvg: 3.01 atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } :: atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } ::sumAvg: 3.01 atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } ::sumAvg: 4.855 atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } atom: 235 21M-HA A 4.324 ambi=1 { CA:54.51 } ::sumAvg: 4.855 atom: 236 21M-HG2 G 2.136 ambi=2 { CG:33.813 } atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } :: atom: 237 21M-HG3 G 1.763 ambi=2 { CG:33.813 } atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } ::sumAvg: 4.185 atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 236 21M-HG2 G 2.136 ambi=2 { CG:33.813 } :: atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 237 21M-HG3 G 1.763 ambi=2 { CG:33.813 } ::sumAvg: 3.17 atom: 276 24P-HD2 D 3.636 ambi=2 { CD:50.47 } atom: 236 21M-HG2 G 2.136 ambi=2 { CG:33.813 } :: atom: 277 24P-HD3 D 3.215 ambi=2 { CD:50.47 } atom: 236 21M-HG2 G 2.136 ambi=2 { CG:33.813 } :: atom: 276 24P-HD2 D 3.636 ambi=2 { CD:50.47 } atom: 237 21M-HG3 G 1.763 ambi=2 { CG:33.813 } :: atom: 277 24P-HD3 D 3.215 ambi=2 { CD:50.47 } atom: 237 21M-HG3 G 1.763 ambi=2 { CG:33.813 } ::sumAvg: 4.465 atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 236 21M-HG2 G 2.136 ambi=2 { CG:33.813 } :: atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 237 21M-HG3 G 1.763 ambi=2 { CG:33.813 } ::sumAvg: 4.41 atom: 236 21M-HG2 G 2.136 ambi=2 { CG:33.813 } atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } :: atom: 237 21M-HG3 G 1.763 ambi=2 { CG:33.813 } atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } :: atom: 237 21M-HG3 G 1.763 ambi=2 { CG:33.813 } atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } ::sumAvg: 3.575 atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } ::sumAvg: 2.765 atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } atom: 274 24P-HG2 G 2.031 ambi=2 { CG:26.9 } ::sumAvg: 3.885 atom: 274 24P-HG2 G 2.031 ambi=2 { CG:26.9 } atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } ::sumAvg: 3.885 atom: 276 24P-HD2 D 3.636 ambi=2 { CD:50.47 } atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } :: atom: 277 24P-HD3 D 3.215 ambi=2 { CD:50.47 } atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } ::sumAvg: 4.445 atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } ::sumAvg: 4.73 atom: 408 35R-HA A 5.378 ambi=1 { CA:54.992 } atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } ::sumAvg: 3.545 atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } atom: 409 35R-HB2 B 2.019 ambi=2 { CB:34.338 } ::sumAvg: 3.21 atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } atom: 415 35R-HE E 7.077 ambi=1 { NE:84.81 } ::sumAvg: 3.795 atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } ::sumAvg: 4.59 atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } atom: 437 37D-H N 8.075 ambi=1 { N:122.281 } ::sumAvg: 4.455 atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } ::sumAvg: 4.005 atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } :: atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } ::sumAvg: 3.635 atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } :: atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } ::sumAvg: 3.635 atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } :: atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 238 21M-HE E 1.616 ambi=1 { CE:17.55 } ::sumAvg: 4.675 atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } ::sumAvg: 4.93 atom: 260 23M-HB2 B 2.074 ambi=2 { CB:34.536 } atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } :: atom: 261 23M-HB3 B 1.754 ambi=2 { CB:34.536 } atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } ::sumAvg: 4.775 atom: 262 23M-HG2 G 2.507 ambi=2 { CG:32.139 } atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } :: atom: 263 23M-HG3 G 2.357 ambi=2 { CG:32.139 } atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } ::sumAvg: 4.92 atom: 276 24P-HD2 D 3.636 ambi=2 { CD:50.47 } atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } :: atom: 277 24P-HD3 D 3.215 ambi=2 { CD:50.47 } atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } ::sumAvg: 4.065 atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } ::sumAvg: 4.71 atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } :: atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } ::sumAvg: 3.8 atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } atom: 244 22L-H N 9.608 ambi=1 { N:127.106 } ::sumAvg: 4.255 atom: 245 22L-HA A 4.169 ambi=1 { CA:57.317 } atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } ::sumAvg: 4.505 atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 245 22L-HA A 4.169 ambi=1 { CA:57.317 } ::sumAvg: 4.505 atom: 245 22L-HA A 4.169 ambi=1 { CA:57.317 } atom: 262 23M-HG2 G 2.507 ambi=2 { CG:32.139 } :: atom: 245 22L-HA A 4.169 ambi=1 { CA:57.317 } atom: 263 23M-HG3 G 2.357 ambi=2 { CG:32.139 } ::sumAvg: 4.84 atom: 262 23M-HG2 G 2.507 ambi=2 { CG:32.139 } atom: 245 22L-HA A 4.169 ambi=1 { CA:57.317 } :: atom: 263 23M-HG3 G 2.357 ambi=2 { CG:32.139 } atom: 245 22L-HA A 4.169 ambi=1 { CA:57.317 } ::sumAvg: 4.84 atom: 245 22L-HA A 4.169 ambi=1 { CA:57.317 } atom: 276 24P-HD2 D 3.636 ambi=2 { CD:50.47 } :: atom: 245 22L-HA A 4.169 ambi=1 { CA:57.317 } atom: 277 24P-HD3 D 3.215 ambi=2 { CD:50.47 } ::sumAvg: 3.49 atom: 276 24P-HD2 D 3.636 ambi=2 { CD:50.47 } atom: 245 22L-HA A 4.169 ambi=1 { CA:57.317 } :: atom: 277 24P-HD3 D 3.215 ambi=2 { CD:50.47 } atom: 245 22L-HA A 4.169 ambi=1 { CA:57.317 } ::sumAvg: 3.49 atom: 245 22L-HA A 4.169 ambi=1 { CA:57.317 } atom: 462 39A-HB B 1.441 ambi=1 { CB:20.63 } ::sumAvg: 4.85 atom: 246 22L-HB2 B 1.933 ambi=2 { CB:42.06 } atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } :: atom: 247 22L-HB3 B 1.586 ambi=2 { CB:42.06 } atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } ::sumAvg: 4.845 atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 246 22L-HB2 B 1.933 ambi=2 { CB:42.06 } :: atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 247 22L-HB3 B 1.586 ambi=2 { CB:42.06 } ::sumAvg: 4.845 atom: 247 22L-HB3 B 1.586 ambi=2 { CB:42.06 } atom: 260 23M-HB2 B 2.074 ambi=2 { CB:34.536 } ::sumAvg: 4.855 atom: 260 23M-HB2 B 2.074 ambi=2 { CB:34.536 } atom: 247 22L-HB3 B 1.586 ambi=2 { CB:42.06 } ::sumAvg: 4.855 atom: 246 22L-HB2 B 1.933 ambi=2 { CB:42.06 } atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } :: atom: 247 22L-HB3 B 1.586 ambi=2 { CB:42.06 } atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } ::sumAvg: 4.835 atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } atom: 246 22L-HB2 B 1.933 ambi=2 { CB:42.06 } :: atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } atom: 247 22L-HB3 B 1.586 ambi=2 { CB:42.06 } ::sumAvg: 4.835 atom: 248 22L-HG G 1.707 ambi=1 { CG:27.441 } atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } ::sumAvg: 4.9 atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 248 22L-HG G 1.707 ambi=1 { CG:27.441 } ::sumAvg: 4.9 atom: 249 22L-HD1 D1 0.966 ambi=2 { CD1:24.474 } atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } :: atom: 250 22L-HD2 D2 0.923 ambi=2 { CD2:23.933 } atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } ::sumAvg: 3.81 atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 249 22L-HD1 D1 0.966 ambi=2 { CD1:24.474 } :: atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 250 22L-HD2 D2 0.923 ambi=2 { CD2:23.933 } ::sumAvg: 4.62 atom: 264 23M-HE E 1.956 ambi=1 { CE:16.53 } atom: 249 22L-HD1 D1 0.966 ambi=2 { CD1:24.474 } :: atom: 264 23M-HE E 1.956 ambi=1 { CE:16.53 } atom: 250 22L-HD2 D2 0.923 ambi=2 { CD2:23.933 } ::sumAvg: 3.425 atom: 249 22L-HD1 D1 0.966 ambi=2 { CD1:24.474 } atom: 460 39A-H N 8.497 ambi=1 { N:119.974 } :: atom: 250 22L-HD2 D2 0.923 ambi=2 { CD2:23.933 } atom: 460 39A-H N 8.497 ambi=1 { N:119.974 } ::sumAvg: 4.475 atom: 249 22L-HD1 D1 0.966 ambi=2 { CD1:24.474 } atom: 461 39A-HA A 4.296 ambi=1 { CA:52.873 } :: atom: 250 22L-HD2 D2 0.923 ambi=2 { CD2:23.933 } atom: 461 39A-HA A 4.296 ambi=1 { CA:52.873 } ::sumAvg: 4.02 atom: 461 39A-HA A 4.296 ambi=1 { CA:52.873 } atom: 249 22L-HD1 D1 0.966 ambi=2 { CD1:24.474 } :: atom: 461 39A-HA A 4.296 ambi=1 { CA:52.873 } atom: 250 22L-HD2 D2 0.923 ambi=2 { CD2:23.933 } ::sumAvg: 4.02 atom: 249 22L-HD1 D1 0.966 ambi=2 { CD1:24.474 } atom: 467 40I-H N 6.805 ambi=1 { N:117.228 } :: atom: 250 22L-HD2 D2 0.923 ambi=2 { CD2:23.933 } atom: 467 40I-H N 6.805 ambi=1 { N:117.228 } ::sumAvg: 4.98 atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } ::sumAvg: 2.96 atom: 264 23M-HE E 1.956 ambi=1 { CE:16.53 } atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } ::sumAvg: 4.775 atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } ::sumAvg: 4.415 atom: 276 24P-HD2 D 3.636 ambi=2 { CD:50.47 } atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } :: atom: 277 24P-HD3 D 3.215 ambi=2 { CD:50.47 } atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } ::sumAvg: 3.255 atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } ::sumAvg: 3.595 atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } :: atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } ::sumAvg: 4.145 atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } atom: 258 23M-H N 8.712 ambi=1 { N:119.14 } ::sumAvg: 4.92 atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 260 23M-HB2 B 2.074 ambi=2 { CB:34.536 } :: atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 261 23M-HB3 B 1.754 ambi=2 { CB:34.536 } ::sumAvg: 2.48 atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 262 23M-HG2 G 2.507 ambi=2 { CG:32.139 } :: atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 263 23M-HG3 G 2.357 ambi=2 { CG:32.139 } ::sumAvg: 3.105 atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 264 23M-HE E 1.956 ambi=1 { CE:16.53 } ::sumAvg: 3.57 atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 274 24P-HG2 G 2.031 ambi=2 { CG:26.9 } :: atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 275 24P-HG3 G 1.896 ambi=2 { CG:26.9 } ::sumAvg: 4.51 atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 276 24P-HD2 D 3.636 ambi=2 { CD:50.47 } :: atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 277 24P-HD3 D 3.215 ambi=2 { CD:50.47 } ::sumAvg: 2.335 atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } ::sumAvg: 4.52 atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 447 38Q-HB2 B 2.291 ambi=2 { CB:29.331 } :: atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 448 38Q-HB3 B 2.266 ambi=2 { CB:29.331 } ::sumAvg: 4.6 atom: 447 38Q-HB2 B 2.291 ambi=2 { CB:29.331 } atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } :: atom: 448 38Q-HB3 B 2.266 ambi=2 { CB:29.331 } atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } ::sumAvg: 4.6 atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } atom: 462 39A-HB B 1.441 ambi=1 { CB:20.63 } ::sumAvg: 4.465 atom: 462 39A-HB B 1.441 ambi=1 { CB:20.63 } atom: 259 23M-HA A 4.863 ambi=1 { CA:52.516 } ::sumAvg: 4.465 atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 260 23M-HB2 B 2.074 ambi=2 { CB:34.536 } :: atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 261 23M-HB3 B 1.754 ambi=2 { CB:34.536 } ::sumAvg: 3.71 atom: 260 23M-HB2 B 2.074 ambi=2 { CB:34.536 } atom: 446 38Q-HA A 4.107 ambi=1 { CA:57.015 } :: atom: 261 23M-HB3 B 1.754 ambi=2 { CB:34.536 } atom: 446 38Q-HA A 4.107 ambi=1 { CA:57.015 } ::sumAvg: 4.32 atom: 260 23M-HB2 B 2.074 ambi=2 { CB:34.536 } atom: 451 38Q-HE21 E2 7.111 ambi=1 { NE2:111.718 } :: atom: 261 23M-HB3 B 1.754 ambi=2 { CB:34.536 } atom: 451 38Q-HE21 E2 7.111 ambi=1 { NE2:111.718 } ::sumAvg: 4.85 atom: 260 23M-HB2 B 2.074 ambi=2 { CB:34.536 } atom: 467 40I-H N 6.805 ambi=1 { N:117.228 } :: atom: 261 23M-HB3 B 1.754 ambi=2 { CB:34.536 } atom: 467 40I-H N 6.805 ambi=1 { N:117.228 } ::sumAvg: 4.73 atom: 262 23M-HG2 G 2.507 ambi=2 { CG:32.139 } atom: 461 39A-HA A 4.296 ambi=1 { CA:52.873 } :: atom: 263 23M-HG3 G 2.357 ambi=2 { CG:32.139 } atom: 461 39A-HA A 4.296 ambi=1 { CA:52.873 } ::sumAvg: 3.285 atom: 276 24P-HD2 D 3.636 ambi=2 { CD:50.47 } atom: 264 23M-HE E 1.956 ambi=1 { CE:16.53 } :: atom: 277 24P-HD3 D 3.215 ambi=2 { CD:50.47 } atom: 264 23M-HE E 1.956 ambi=1 { CE:16.53 } ::sumAvg: 4.96 atom: 264 23M-HE E 1.956 ambi=1 { CE:16.53 } atom: 461 39A-HA A 4.296 ambi=1 { CA:52.873 } ::sumAvg: 4.645 atom: 461 39A-HA A 4.296 ambi=1 { CA:52.873 } atom: 264 23M-HE E 1.956 ambi=1 { CE:16.53 } ::sumAvg: 4.645 atom: 264 23M-HE E 1.956 ambi=1 { CE:16.53 } atom: 462 39A-HB B 1.441 ambi=1 { CB:20.63 } ::sumAvg: 4.03 atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 272 24P-HB2 B 2.167 ambi=2 { CB:33.63 } :: atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 273 24P-HB3 B 1.845 ambi=2 { CB:33.63 } ::sumAvg: 2.32 atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 274 24P-HG2 G 2.031 ambi=2 { CG:26.9 } :: atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 275 24P-HG3 G 1.896 ambi=2 { CG:26.9 } ::sumAvg: 3.39 atom: 274 24P-HG2 G 2.031 ambi=2 { CG:26.9 } atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } :: atom: 275 24P-HG3 G 1.896 ambi=2 { CG:26.9 } atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } ::sumAvg: 3.39 atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 276 24P-HD2 D 3.636 ambi=2 { CD:50.47 } :: atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 277 24P-HD3 D 3.215 ambi=2 { CD:50.47 } ::sumAvg: 3.61 atom: 276 24P-HD2 D 3.636 ambi=2 { CD:50.47 } atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } :: atom: 277 24P-HD3 D 3.215 ambi=2 { CD:50.47 } atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } ::sumAvg: 3.61 atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } ::sumAvg: 2.16 atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 285 25K-HB2 B 2.021 ambi=2 { CB:34.505 } :: atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 286 25K-HB3 B 1.721 ambi=2 { CB:34.505 } ::sumAvg: 4.615 atom: 285 25K-HB2 B 2.021 ambi=2 { CB:34.505 } atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } :: atom: 286 25K-HB3 B 1.721 ambi=2 { CB:34.505 } atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } ::sumAvg: 4.615 atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 423 36I-H N 8.734 ambi=1 { N:119.897 } ::sumAvg: 4.355 atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 428 36I-HG2 G2 0.78 ambi=1 { CG2:17.095 } ::sumAvg: 4.995 atom: 428 36I-HG2 G2 0.78 ambi=1 { CG2:17.095 } atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } ::sumAvg: 4.995 atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } :: atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } ::sumAvg: 4.34 atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } :: atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } ::sumAvg: 4.34 atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } ::sumAvg: 4.18 atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 449 38Q-HG2 G 2.514 ambi=2 { CG:35.394 } :: atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } atom: 450 38Q-HG3 G 2.271 ambi=2 { CG:35.394 } ::sumAvg: 4.9 atom: 449 38Q-HG2 G 2.514 ambi=2 { CG:35.394 } atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } :: atom: 450 38Q-HG3 G 2.271 ambi=2 { CG:35.394 } atom: 271 24P-HA A 4.695 ambi=1 { CA:64.07 } ::sumAvg: 4.9 atom: 272 24P-HB2 B 2.167 ambi=2 { CB:33.63 } atom: 284 25K-HA A 4.5 ambi=1 { CA:55.877 } :: atom: 273 24P-HB3 B 1.845 ambi=2 { CB:33.63 } atom: 284 25K-HA A 4.5 ambi=1 { CA:55.877 } ::sumAvg: 4.36 atom: 284 25K-HA A 4.5 ambi=1 { CA:55.877 } atom: 272 24P-HB2 B 2.167 ambi=2 { CB:33.63 } :: atom: 284 25K-HA A 4.5 ambi=1 { CA:55.877 } atom: 273 24P-HB3 B 1.845 ambi=2 { CB:33.63 } ::sumAvg: 4.36 atom: 287 25K-HG2 G 1.332 ambi=2 { CG:24.799 } atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } :: atom: 288 25K-HG3 G 1.27 ambi=2 { CG:24.799 } atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } ::sumAvg: 4.495 atom: 289 25K-QD D 1.668 ambi=2 { CD:29.054 } atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } ::sumAvg: 4.655 atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } ::sumAvg: 4.875 atom: 408 35R-HA A 5.378 ambi=1 { CA:54.992 } atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } ::sumAvg: 4.465 atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } ::sumAvg: 4.89 atom: 425 36I-HB B 1.6 ambi=1 { CB:43.52 } atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } ::sumAvg: 4.485 atom: 428 36I-HG2 G2 0.78 ambi=1 { CG2:17.095 } atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } ::sumAvg: 3.72 atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } ::sumAvg: 3.44 atom: 449 38Q-HG2 G 2.514 ambi=2 { CG:35.394 } atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } :: atom: 450 38Q-HG3 G 2.271 ambi=2 { CG:35.394 } atom: 283 25K-H N 8.322 ambi=1 { N:123.17 } ::sumAvg: 4.26 atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } atom: 284 25K-HA A 4.5 ambi=1 { CA:55.877 } ::sumAvg: 4.47 atom: 284 25K-HA A 4.5 ambi=1 { CA:55.877 } atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } ::sumAvg: 4.445 atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } atom: 284 25K-HA A 4.5 ambi=1 { CA:55.877 } ::sumAvg: 4.445 atom: 284 25K-HA A 4.5 ambi=1 { CA:55.877 } atom: 302 26Q-QB B 1.927 ambi=2 { CB:32.296 } ::sumAvg: 4.08 atom: 302 26Q-QB B 1.927 ambi=2 { CB:32.296 } atom: 284 25K-HA A 4.5 ambi=1 { CA:55.877 } ::sumAvg: 4.08 atom: 284 25K-HA A 4.5 ambi=1 { CA:55.877 } atom: 449 38Q-HG2 G 2.514 ambi=2 { CG:35.394 } :: atom: 284 25K-HA A 4.5 ambi=1 { CA:55.877 } atom: 450 38Q-HG3 G 2.271 ambi=2 { CG:35.394 } ::sumAvg: 4.675 atom: 284 25K-HA A 4.5 ambi=1 { CA:55.877 } atom: 451 38Q-HE21 E2 7.111 ambi=1 { NE2:111.718 } ::sumAvg: 4.36 atom: 285 25K-HB2 B 2.021 ambi=2 { CB:34.505 } atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } :: atom: 286 25K-HB3 B 1.721 ambi=2 { CB:34.505 } atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } ::sumAvg: 3.115 atom: 285 25K-HB2 B 2.021 ambi=2 { CB:34.505 } atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } :: atom: 286 25K-HB3 B 1.721 ambi=2 { CB:34.505 } atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } ::sumAvg: 4.86 atom: 285 25K-HB2 B 2.021 ambi=2 { CB:34.505 } atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } :: atom: 286 25K-HB3 B 1.721 ambi=2 { CB:34.505 } atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } ::sumAvg: 4.8 atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 285 25K-HB2 B 2.021 ambi=2 { CB:34.505 } :: atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 286 25K-HB3 B 1.721 ambi=2 { CB:34.505 } ::sumAvg: 4.8 atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } atom: 285 25K-HB2 B 2.021 ambi=2 { CB:34.505 } :: atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } atom: 285 25K-HB2 B 2.021 ambi=2 { CB:34.505 } :: atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } atom: 286 25K-HB3 B 1.721 ambi=2 { CB:34.505 } ::sumAvg: 4.415 atom: 429 36I-HD1 D1 0.786 ambi=1 { CD1:14.393 } atom: 285 25K-HB2 B 2.021 ambi=2 { CB:34.505 } :: atom: 429 36I-HD1 D1 0.786 ambi=1 { CD1:14.393 } atom: 286 25K-HB3 B 1.721 ambi=2 { CB:34.505 } ::sumAvg: 4.205 atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 285 25K-HB2 B 2.021 ambi=2 { CB:34.505 } :: atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 286 25K-HB3 B 1.721 ambi=2 { CB:34.505 } ::sumAvg: 4.685 atom: 287 25K-HG2 G 1.332 ambi=2 { CG:24.799 } atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } :: atom: 288 25K-HG3 G 1.27 ambi=2 { CG:24.799 } atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } ::sumAvg: 4.52 atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } atom: 287 25K-HG2 G 1.332 ambi=2 { CG:24.799 } :: atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } atom: 288 25K-HG3 G 1.27 ambi=2 { CG:24.799 } ::sumAvg: 4.52 atom: 287 25K-HG2 G 1.332 ambi=2 { CG:24.799 } atom: 302 26Q-QB B 1.927 ambi=2 { CB:32.296 } :: atom: 288 25K-HG3 G 1.27 ambi=2 { CG:24.799 } atom: 302 26Q-QB B 1.927 ambi=2 { CB:32.296 } ::sumAvg: 4.92 atom: 302 26Q-QB B 1.927 ambi=2 { CB:32.296 } atom: 287 25K-HG2 G 1.332 ambi=2 { CG:24.799 } :: atom: 302 26Q-QB B 1.927 ambi=2 { CB:32.296 } atom: 288 25K-HG3 G 1.27 ambi=2 { CG:24.799 } ::sumAvg: 4.92 atom: 429 36I-HD1 D1 0.786 ambi=1 { CD1:14.393 } atom: 287 25K-HG2 G 1.332 ambi=2 { CG:24.799 } :: atom: 429 36I-HD1 D1 0.786 ambi=1 { CD1:14.393 } atom: 288 25K-HG3 G 1.27 ambi=2 { CG:24.799 } ::sumAvg: 4.675 atom: 287 25K-HG2 G 1.332 ambi=2 { CG:24.799 } atom: 449 38Q-HG2 G 2.514 ambi=2 { CG:35.394 } :: atom: 287 25K-HG2 G 1.332 ambi=2 { CG:24.799 } atom: 450 38Q-HG3 G 2.271 ambi=2 { CG:35.394 } :: atom: 288 25K-HG3 G 1.27 ambi=2 { CG:24.799 } atom: 449 38Q-HG2 G 2.514 ambi=2 { CG:35.394 } :: atom: 288 25K-HG3 G 1.27 ambi=2 { CG:24.799 } atom: 450 38Q-HG3 G 2.271 ambi=2 { CG:35.394 } ::sumAvg: 4.655 atom: 287 25K-HG2 G 1.332 ambi=2 { CG:24.799 } atom: 451 38Q-HE21 E2 7.111 ambi=1 { NE2:111.718 } :: atom: 287 25K-HG2 G 1.332 ambi=2 { CG:24.799 } atom: 452 38Q-HE22 E2 6.99 ambi=1 { NE2:111.718 } :: atom: 288 25K-HG3 G 1.27 ambi=2 { CG:24.799 } atom: 451 38Q-HE21 E2 7.111 ambi=1 { NE2:111.718 } :: atom: 288 25K-HG3 G 1.27 ambi=2 { CG:24.799 } atom: 452 38Q-HE22 E2 6.99 ambi=1 { NE2:111.718 } ::sumAvg: 3.06 atom: 289 25K-QD D 1.668 ambi=2 { CD:29.054 } atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } ::sumAvg: 4.645 atom: 289 25K-QD D 1.668 ambi=2 { CD:29.054 } atom: 315 27K-H N 9.388 ambi=1 { N:125.825 } ::sumAvg: 4.725 atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } atom: 289 25K-QD D 1.668 ambi=2 { CD:29.054 } ::sumAvg: 4.845 atom: 289 25K-QD D 1.668 ambi=2 { CD:29.054 } atom: 428 36I-HG2 G2 0.78 ambi=1 { CG2:17.095 } ::sumAvg: 3.6 atom: 289 25K-QD D 1.668 ambi=2 { CD:29.054 } atom: 429 36I-HD1 D1 0.786 ambi=1 { CD1:14.393 } ::sumAvg: 4.24 atom: 429 36I-HD1 D1 0.786 ambi=1 { CD1:14.393 } atom: 289 25K-QD D 1.668 ambi=2 { CD:29.054 } ::sumAvg: 4.24 atom: 289 25K-QD D 1.668 ambi=2 { CD:29.054 } atom: 451 38Q-HE21 E2 7.111 ambi=1 { NE2:111.718 } :: atom: 289 25K-QD D 1.668 ambi=2 { CD:29.054 } atom: 452 38Q-HE22 E2 6.99 ambi=1 { NE2:111.718 } ::sumAvg: 2.805 atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } atom: 300 26Q-H N 8.731 ambi=1 { N:125.568 } ::sumAvg: 4.735 atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } atom: 315 27K-H N 9.388 ambi=1 { N:125.825 } ::sumAvg: 4.84 atom: 317 27K-HB2 B 1.837 ambi=2 { CB:36.516 } atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } :: atom: 318 27K-HB3 B 1.637 ambi=2 { CB:36.516 } atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } ::sumAvg: 3.035 atom: 319 27K-HG2 G 1.404 ambi=2 { CG:24.78 } atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } :: atom: 320 27K-HG3 G 1.345 ambi=2 { CG:24.78 } atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } ::sumAvg: 4.775 atom: 398 34I-HG2 G2 0.816 ambi=1 { CG2:19.869 } atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } ::sumAvg: 4.99 atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } atom: 425 36I-HB B 1.6 ambi=1 { CB:43.52 } ::sumAvg: 4.43 atom: 425 36I-HB B 1.6 ambi=1 { CB:43.52 } atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } ::sumAvg: 4.43 atom: 428 36I-HG2 G2 0.78 ambi=1 { CG2:17.095 } atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } ::sumAvg: 3.875 atom: 429 36I-HD1 D1 0.786 ambi=1 { CD1:14.393 } atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } ::sumAvg: 4.205 atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } atom: 450 38Q-HG3 G 2.271 ambi=2 { CG:35.394 } ::sumAvg: 4.525 atom: 450 38Q-HG3 G 2.271 ambi=2 { CG:35.394 } atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } ::sumAvg: 4.525 atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } atom: 451 38Q-HE21 E2 7.111 ambi=1 { NE2:111.718 } :: atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } atom: 452 38Q-HE22 E2 6.99 ambi=1 { NE2:111.718 } ::sumAvg: 3.845 atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } :: atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } ::sumAvg: 4.7 atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } :: atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } ::sumAvg: 4.7 atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } :: atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } ::sumAvg: 4.82 atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } :: atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } atom: 291 25K-QE E 2.906 ambi=2 { CE:42.13 } ::sumAvg: 4.82 atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } atom: 306 26Q-HE21 E2 7.351 ambi=1 { NE2:112.062 } :: atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } atom: 307 26Q-HE22 E2 6.872 ambi=1 { NE2:112.062 } ::sumAvg: 4.32 atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } atom: 316 27K-HA A 4.662 ambi=1 { CA:54.935 } ::sumAvg: 4.435 atom: 316 27K-HA A 4.662 ambi=1 { CA:54.935 } atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } ::sumAvg: 4.435 atom: 317 27K-HB2 B 1.837 ambi=2 { CB:36.516 } atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } :: atom: 318 27K-HB3 B 1.637 ambi=2 { CB:36.516 } atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } ::sumAvg: 4.575 atom: 411 35R-HG2 G 1.831 ambi=2 { CG:28.786 } atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } :: atom: 412 35R-HG3 G 1.518 ambi=2 { CG:28.786 } atom: 301 26Q-HA A 5.472 ambi=1 { CA:54.193 } ::sumAvg: 3.85 atom: 302 26Q-QB B 1.927 ambi=2 { CB:32.296 } atom: 316 27K-HA A 4.662 ambi=1 { CA:54.935 } ::sumAvg: 4.61 atom: 316 27K-HA A 4.662 ambi=1 { CA:54.935 } atom: 302 26Q-QB B 1.927 ambi=2 { CB:32.296 } ::sumAvg: 4.61 atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } atom: 302 26Q-QB B 1.927 ambi=2 { CB:32.296 } :: atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } atom: 302 26Q-QB B 1.927 ambi=2 { CB:32.296 } ::sumAvg: 4.73 atom: 302 26Q-QB B 1.927 ambi=2 { CB:32.296 } atom: 408 35R-HA A 5.378 ambi=1 { CA:54.992 } ::sumAvg: 4.965 atom: 412 35R-HG3 G 1.518 ambi=2 { CG:28.786 } atom: 302 26Q-QB B 1.927 ambi=2 { CB:32.296 } ::sumAvg: 4.4 atom: 304 26Q-HG2 G 2.102 ambi=2 { CG:34.686 } atom: 316 27K-HA A 4.662 ambi=1 { CA:54.935 } :: atom: 305 26Q-HG3 G 2.089 ambi=2 { CG:34.686 } atom: 316 27K-HA A 4.662 ambi=1 { CA:54.935 } ::sumAvg: 3.92 atom: 316 27K-HA A 4.662 ambi=1 { CA:54.935 } atom: 304 26Q-HG2 G 2.102 ambi=2 { CG:34.686 } :: atom: 316 27K-HA A 4.662 ambi=1 { CA:54.935 } atom: 305 26Q-HG3 G 2.089 ambi=2 { CG:34.686 } ::sumAvg: 3.92 atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } atom: 304 26Q-HG2 G 2.102 ambi=2 { CG:34.686 } :: atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } atom: 304 26Q-HG2 G 2.102 ambi=2 { CG:34.686 } :: atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } atom: 305 26Q-HG3 G 2.089 ambi=2 { CG:34.686 } :: atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } atom: 305 26Q-HG3 G 2.089 ambi=2 { CG:34.686 } ::sumAvg: 3.135 atom: 304 26Q-HG2 G 2.102 ambi=2 { CG:34.686 } atom: 412 35R-HG3 G 1.518 ambi=2 { CG:28.786 } :: atom: 305 26Q-HG3 G 2.089 ambi=2 { CG:34.686 } atom: 412 35R-HG3 G 1.518 ambi=2 { CG:28.786 } ::sumAvg: 4.755 atom: 412 35R-HG3 G 1.518 ambi=2 { CG:28.786 } atom: 304 26Q-HG2 G 2.102 ambi=2 { CG:34.686 } :: atom: 412 35R-HG3 G 1.518 ambi=2 { CG:28.786 } atom: 305 26Q-HG3 G 2.089 ambi=2 { CG:34.686 } ::sumAvg: 4.755 atom: 387 33C-HB2 B 2.986 ambi=2 { CB:28.535 } atom: 306 26Q-HE21 E2 7.351 ambi=1 { NE2:112.062 } :: atom: 388 33C-HB3 B 2.636 ambi=2 { CB:28.535 } atom: 306 26Q-HE21 E2 7.351 ambi=1 { NE2:112.062 } ::sumAvg: 4.93 atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } atom: 315 27K-H N 9.388 ambi=1 { N:125.825 } :: atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } atom: 315 27K-H N 9.388 ambi=1 { N:125.825 } ::sumAvg: 4.21 atom: 395 34I-HB B 1.837 ambi=1 { CB:40.88 } atom: 315 27K-H N 9.388 ambi=1 { N:125.825 } ::sumAvg: 3.385 atom: 398 34I-HG2 G2 0.816 ambi=1 { CG2:19.869 } atom: 315 27K-H N 9.388 ambi=1 { N:125.825 } ::sumAvg: 4.295 atom: 321 27K-HD2 D 1.691 ambi=2 { CD:29.135 } atom: 316 27K-HA A 4.662 ambi=1 { CA:54.935 } :: atom: 322 27K-HD3 D 1.656 ambi=2 { CD:29.135 } atom: 316 27K-HA A 4.662 ambi=1 { CA:54.935 } ::sumAvg: 3.265 atom: 316 27K-HA A 4.662 ambi=1 { CA:54.935 } atom: 323 27K-QE E 2.999 ambi=2 { CE:42.076 } ::sumAvg: 4.54 atom: 323 27K-QE E 2.999 ambi=2 { CE:42.076 } atom: 316 27K-HA A 4.662 ambi=1 { CA:54.935 } ::sumAvg: 4.54 atom: 334 28V-HB B 2.017 ambi=1 { CB:32.651 } atom: 316 27K-HA A 4.662 ambi=1 { CA:54.935 } ::sumAvg: 4.61 atom: 316 27K-HA A 4.662 ambi=1 { CA:54.935 } atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } :: atom: 316 27K-HA A 4.662 ambi=1 { CA:54.935 } atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } ::sumAvg: 3.65 atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } atom: 316 27K-HA A 4.662 ambi=1 { CA:54.935 } :: atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } atom: 316 27K-HA A 4.662 ambi=1 { CA:54.935 } ::sumAvg: 3.65 atom: 395 34I-HB B 1.837 ambi=1 { CB:40.88 } atom: 316 27K-HA A 4.662 ambi=1 { CA:54.935 } ::sumAvg: 4.705 atom: 317 27K-HB2 B 1.837 ambi=2 { CB:36.516 } atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } :: atom: 318 27K-HB3 B 1.637 ambi=2 { CB:36.516 } atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } ::sumAvg: 4.99 atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } atom: 317 27K-HB2 B 1.837 ambi=2 { CB:36.516 } :: atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } atom: 318 27K-HB3 B 1.637 ambi=2 { CB:36.516 } ::sumAvg: 4.99 atom: 317 27K-HB2 B 1.837 ambi=2 { CB:36.516 } atom: 393 34I-H N 9.284 ambi=1 { N:128.931 } :: atom: 318 27K-HB3 B 1.637 ambi=2 { CB:36.516 } atom: 393 34I-H N 9.284 ambi=1 { N:128.931 } ::sumAvg: 4.13 atom: 317 27K-HB2 B 1.837 ambi=2 { CB:36.516 } atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } :: atom: 318 27K-HB3 B 1.637 ambi=2 { CB:36.516 } atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } ::sumAvg: 4.105 atom: 317 27K-HB2 B 1.837 ambi=2 { CB:36.516 } atom: 398 34I-HG2 G2 0.816 ambi=1 { CG2:19.869 } :: atom: 318 27K-HB3 B 1.637 ambi=2 { CB:36.516 } atom: 398 34I-HG2 G2 0.816 ambi=1 { CG2:19.869 } ::sumAvg: 3.45 atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } atom: 319 27K-HG2 G 1.404 ambi=2 { CG:24.78 } :: atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } atom: 320 27K-HG3 G 1.345 ambi=2 { CG:24.78 } ::sumAvg: 4.245 atom: 319 27K-HG2 G 1.404 ambi=2 { CG:24.78 } atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } :: atom: 320 27K-HG3 G 1.345 ambi=2 { CG:24.78 } atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } ::sumAvg: 4.47 atom: 319 27K-HG2 G 1.404 ambi=2 { CG:24.78 } atom: 344 29E-HA A 4.596 ambi=1 { CA:54.055 } :: atom: 320 27K-HG3 G 1.345 ambi=2 { CG:24.78 } atom: 344 29E-HA A 4.596 ambi=1 { CA:54.055 } ::sumAvg: 4.62 atom: 344 29E-HA A 4.596 ambi=1 { CA:54.055 } atom: 319 27K-HG2 G 1.404 ambi=2 { CG:24.78 } :: atom: 344 29E-HA A 4.596 ambi=1 { CA:54.055 } atom: 320 27K-HG3 G 1.345 ambi=2 { CG:24.78 } ::sumAvg: 4.62 atom: 319 27K-HG2 G 1.404 ambi=2 { CG:24.78 } atom: 393 34I-H N 9.284 ambi=1 { N:128.931 } :: atom: 320 27K-HG3 G 1.345 ambi=2 { CG:24.78 } atom: 393 34I-H N 9.284 ambi=1 { N:128.931 } ::sumAvg: 4.565 atom: 323 27K-QE E 2.999 ambi=2 { CE:42.076 } atom: 332 28V-H N 8.692 ambi=1 { N:124.76 } ::sumAvg: 4.45 atom: 323 27K-QE E 2.999 ambi=2 { CE:42.076 } atom: 344 29E-HA A 4.596 ambi=1 { CA:54.055 } ::sumAvg: 4.44 atom: 344 29E-HA A 4.596 ambi=1 { CA:54.055 } atom: 323 27K-QE E 2.999 ambi=2 { CE:42.076 } ::sumAvg: 4.44 atom: 345 29E-HB2 B 1.835 ambi=2 { CB:31.126 } atom: 323 27K-QE E 2.999 ambi=2 { CE:42.076 } :: atom: 346 29E-HB3 B 1.65 ambi=2 { CB:31.126 } atom: 323 27K-QE E 2.999 ambi=2 { CE:42.076 } ::sumAvg: 3.705 atom: 323 27K-QE E 2.999 ambi=2 { CE:42.076 } atom: 347 29E-QG G 1.987 ambi=2 { CG:35.711 } ::sumAvg: 4.99 atom: 323 27K-QE E 2.999 ambi=2 { CE:42.076 } atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } :: atom: 323 27K-QE E 2.999 ambi=2 { CE:42.076 } atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } ::sumAvg: 4.875 atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } atom: 323 27K-QE E 2.999 ambi=2 { CE:42.076 } :: atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } atom: 323 27K-QE E 2.999 ambi=2 { CE:42.076 } ::sumAvg: 4.875 atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } atom: 323 27K-QE E 2.999 ambi=2 { CE:42.076 } :: atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } atom: 323 27K-QE E 2.999 ambi=2 { CE:42.076 } ::sumAvg: 2.74 atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } atom: 332 28V-H N 8.692 ambi=1 { N:124.76 } ::sumAvg: 2.955 atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 332 28V-H N 8.692 ambi=1 { N:124.76 } ::sumAvg: 4.99 atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } atom: 345 29E-HB2 B 1.835 ambi=2 { CB:31.126 } :: atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } atom: 346 29E-HB3 B 1.65 ambi=2 { CB:31.126 } ::sumAvg: 4.58 atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } atom: 385 33C-H N 9.093 ambi=1 { N:120.683 } ::sumAvg: 4.99 atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } atom: 387 33C-HB2 B 2.986 ambi=2 { CB:28.535 } :: atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } atom: 388 33C-HB3 B 2.636 ambi=2 { CB:28.535 } ::sumAvg: 4.215 atom: 387 33C-HB2 B 2.986 ambi=2 { CB:28.535 } atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } :: atom: 388 33C-HB3 B 2.636 ambi=2 { CB:28.535 } atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } ::sumAvg: 4.215 atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } atom: 393 34I-H N 9.284 ambi=1 { N:128.931 } ::sumAvg: 2.69 atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } atom: 395 34I-HB B 1.837 ambi=1 { CB:40.88 } ::sumAvg: 4.385 atom: 395 34I-HB B 1.837 ambi=1 { CB:40.88 } atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } ::sumAvg: 4.385 atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } :: atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } ::sumAvg: 3.465 atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } :: atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } ::sumAvg: 3.465 atom: 945 80L-HD1 D1 0.892 ambi=2 { CD1:26.248 } atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } :: atom: 946 80L-HD2 D2 0.971 ambi=2 { CD2:24.068 } atom: 333 28V-HA A 4.54 ambi=1 { CA:62.001 } ::sumAvg: 4.245 atom: 334 28V-HB B 2.017 ambi=1 { CB:32.651 } atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } ::sumAvg: 4.825 atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 334 28V-HB B 2.017 ambi=1 { CB:32.651 } ::sumAvg: 4.825 atom: 945 80L-HD1 D1 0.892 ambi=2 { CD1:26.248 } atom: 334 28V-HB B 2.017 ambi=1 { CB:32.651 } :: atom: 946 80L-HD2 D2 0.971 ambi=2 { CD2:24.068 } atom: 334 28V-HB B 2.017 ambi=1 { CB:32.651 } ::sumAvg: 4.265 atom: 344 29E-HA A 4.596 ambi=1 { CA:54.055 } atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } :: atom: 344 29E-HA A 4.596 ambi=1 { CA:54.055 } atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } ::sumAvg: 3.695 atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } atom: 345 29E-HB2 B 1.835 ambi=2 { CB:31.126 } :: atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } atom: 346 29E-HB3 B 1.65 ambi=2 { CB:31.126 } :: atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } atom: 345 29E-HB2 B 1.835 ambi=2 { CB:31.126 } :: atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } atom: 346 29E-HB3 B 1.65 ambi=2 { CB:31.126 } ::sumAvg: 4.78 atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } :: atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } :: atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } :: atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } ::sumAvg: 4.115 atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } :: atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } :: atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } :: atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } ::sumAvg: 4.115 atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } :: atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } ::sumAvg: 4.53 atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } :: atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } ::sumAvg: 4.64 atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } atom: 385 33C-H N 9.093 ambi=1 { N:120.683 } :: atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } atom: 385 33C-H N 9.093 ambi=1 { N:120.683 } ::sumAvg: 4.39 atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } :: atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } ::sumAvg: 2.76 atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } :: atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } ::sumAvg: 4.885 atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } atom: 942 80L-HB2 B 1.746 ambi=2 { CB:42.359 } :: atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } :: atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } atom: 942 80L-HB2 B 1.746 ambi=2 { CB:42.359 } :: atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } ::sumAvg: 4.625 atom: 335 28V-HG1 G1 0.944 ambi=2 { CG1:22.169 } atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } :: atom: 336 28V-HG2 G2 0.978 ambi=2 { CG2:21.539 } atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } ::sumAvg: 3.555 atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } :: atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } ::sumAvg: 4.135 atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } ::sumAvg: 3.165 atom: 395 34I-HB B 1.837 ambi=1 { CB:40.88 } atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } ::sumAvg: 4.775 atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } :: atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } ::sumAvg: 2.895 atom: 945 80L-HD1 D1 0.892 ambi=2 { CD1:26.248 } atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } :: atom: 946 80L-HD2 D2 0.971 ambi=2 { CD2:24.068 } atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } ::sumAvg: 4.69 atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } ::sumAvg: 4.855 atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } :: atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } atom: 343 29E-H N 8.599 ambi=1 { N:129.972 } ::sumAvg: 4.915 atom: 344 29E-HA A 4.596 ambi=1 { CA:54.055 } atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } :: atom: 344 29E-HA A 4.596 ambi=1 { CA:54.055 } atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } ::sumAvg: 4.375 atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } atom: 344 29E-HA A 4.596 ambi=1 { CA:54.055 } :: atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } atom: 344 29E-HA A 4.596 ambi=1 { CA:54.055 } ::sumAvg: 4.375 atom: 344 29E-HA A 4.596 ambi=1 { CA:54.055 } atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } :: atom: 344 29E-HA A 4.596 ambi=1 { CA:54.055 } atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } ::sumAvg: 4.295 atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } atom: 344 29E-HA A 4.596 ambi=1 { CA:54.055 } :: atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } atom: 344 29E-HA A 4.596 ambi=1 { CA:54.055 } ::sumAvg: 4.295 atom: 345 29E-HB2 B 1.835 ambi=2 { CB:31.126 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } :: atom: 346 29E-HB3 B 1.65 ambi=2 { CB:31.126 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } ::sumAvg: 4.54 atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } atom: 345 29E-HB2 B 1.835 ambi=2 { CB:31.126 } :: atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } atom: 346 29E-HB3 B 1.65 ambi=2 { CB:31.126 } ::sumAvg: 3.845 atom: 345 29E-HB2 B 1.835 ambi=2 { CB:31.126 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 345 29E-HB2 B 1.835 ambi=2 { CB:31.126 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } :: atom: 346 29E-HB3 B 1.65 ambi=2 { CB:31.126 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 346 29E-HB3 B 1.65 ambi=2 { CB:31.126 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 4.81 atom: 345 29E-HB2 B 1.835 ambi=2 { CB:31.126 } atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } :: atom: 346 29E-HB3 B 1.65 ambi=2 { CB:31.126 } atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } ::sumAvg: 3.3 atom: 345 29E-HB2 B 1.835 ambi=2 { CB:31.126 } atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } :: atom: 346 29E-HB3 B 1.65 ambi=2 { CB:31.126 } atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } ::sumAvg: 4.95 atom: 345 29E-HB2 B 1.835 ambi=2 { CB:31.126 } atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } :: atom: 346 29E-HB3 B 1.65 ambi=2 { CB:31.126 } atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } ::sumAvg: 3.12 atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } atom: 345 29E-HB2 B 1.835 ambi=2 { CB:31.126 } :: atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } atom: 346 29E-HB3 B 1.65 ambi=2 { CB:31.126 } ::sumAvg: 3.12 atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } atom: 345 29E-HB2 B 1.835 ambi=2 { CB:31.126 } ::sumAvg: 3.31 atom: 346 29E-HB3 B 1.65 ambi=2 { CB:31.126 } atom: 1131 97V-HB B 2.206 ambi=1 { CB:31.628 } ::sumAvg: 3.865 atom: 1131 97V-HB B 2.206 ambi=1 { CB:31.628 } atom: 346 29E-HB3 B 1.65 ambi=2 { CB:31.126 } ::sumAvg: 3.865 atom: 347 29E-QG G 1.987 ambi=2 { CG:35.711 } atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } :: atom: 347 29E-QG G 1.987 ambi=2 { CG:35.711 } atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } ::sumAvg: 3.89 atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } atom: 347 29E-QG G 1.987 ambi=2 { CG:35.711 } :: atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } atom: 347 29E-QG G 1.987 ambi=2 { CG:35.711 } ::sumAvg: 3.89 atom: 347 29E-QG G 1.987 ambi=2 { CG:35.711 } atom: 364 31P-HD2 D 3.688 ambi=2 { CD:49.876 } :: atom: 347 29E-QG G 1.987 ambi=2 { CG:35.711 } atom: 365 31P-HD3 D 3.607 ambi=2 { CD:49.876 } ::sumAvg: 4.445 atom: 347 29E-QG G 1.987 ambi=2 { CG:35.711 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } ::sumAvg: 4.995 atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } atom: 347 29E-QG G 1.987 ambi=2 { CG:35.711 } ::sumAvg: 4.805 atom: 347 29E-QG G 1.987 ambi=2 { CG:35.711 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 347 29E-QG G 1.987 ambi=2 { CG:35.711 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 4.94 atom: 347 29E-QG G 1.987 ambi=2 { CG:35.711 } atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } :: atom: 347 29E-QG G 1.987 ambi=2 { CG:35.711 } atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } ::sumAvg: 4.525 atom: 347 29E-QG G 1.987 ambi=2 { CG:35.711 } atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } ::sumAvg: 4.505 atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } atom: 347 29E-QG G 1.987 ambi=2 { CG:35.711 } ::sumAvg: 4.505 atom: 347 29E-QG G 1.987 ambi=2 { CG:35.711 } atom: 1091 93N-HA A 4.484 ambi=1 { CA:56.153 } ::sumAvg: 4.66 atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } atom: 347 29E-QG G 1.987 ambi=2 { CG:35.711 } ::sumAvg: 3.625 atom: 364 31P-HD2 D 3.688 ambi=2 { CD:49.876 } atom: 354 30G-H N 8.878 ambi=1 { N:118.387 } :: atom: 365 31P-HD3 D 3.607 ambi=2 { CD:49.876 } atom: 354 30G-H N 8.878 ambi=1 { N:118.387 } ::sumAvg: 4.725 atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } ::sumAvg: 4.53 atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } ::sumAvg: 4.53 atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } :: atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } :: atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } :: atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } ::sumAvg: 4.875 atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } :: atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } :: atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } :: atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } ::sumAvg: 4.875 atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } :: atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } atom: 363 31P-HG3 G 1.685 ambi=2 { CG:27.35 } :: atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } :: atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } atom: 363 31P-HG3 G 1.685 ambi=2 { CG:27.35 } ::sumAvg: 4.42 atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } :: atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } ::sumAvg: 3.68 atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } :: atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } :: atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } ::sumAvg: 4.695 atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } :: atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } atom: 355 30G-HA2 A 4.147 ambi=2 { CA:44.781 } :: atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } atom: 356 30G-HA3 A 3.447 ambi=2 { CA:44.781 } ::sumAvg: 4.695 atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } :: atom: 363 31P-HG3 G 1.685 ambi=2 { CG:27.35 } atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } ::sumAvg: 3.85 atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } ::sumAvg: 4.62 atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } ::sumAvg: 4.62 atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 4.54 atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } ::sumAvg: 4.26 atom: 942 80L-HB2 B 1.746 ambi=2 { CB:42.359 } atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } :: atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } ::sumAvg: 3.465 atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } ::sumAvg: 4.275 atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } ::sumAvg: 4.275 atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } atom: 975 83F-HB2 B 3.329 ambi=2 { CB:40.269 } :: atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } atom: 976 83F-HB3 B 3.071 ambi=2 { CB:40.269 } ::sumAvg: 2.99 atom: 975 83F-HB2 B 3.329 ambi=2 { CB:40.269 } atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } :: atom: 976 83F-HB3 B 3.071 ambi=2 { CB:40.269 } atom: 359 31P-HA A 3.997 ambi=1 { CA:63.082 } ::sumAvg: 2.99 atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } :: atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } ::sumAvg: 4.095 atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } :: atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } ::sumAvg: 4.665 atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } :: atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } ::sumAvg: 4.195 atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } :: atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } ::sumAvg: 4.195 atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } :: atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 3.31 atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } :: atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } ::sumAvg: 4.81 atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } :: atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } ::sumAvg: 4.81 atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } atom: 929 79P-HB2 B 2.438 ambi=2 { CB:32.409 } ::sumAvg: 4.925 atom: 929 79P-HB2 B 2.438 ambi=2 { CB:32.409 } atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } ::sumAvg: 4.925 atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } :: atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } ::sumAvg: 4.055 atom: 942 80L-HB2 B 1.746 ambi=2 { CB:42.359 } atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } :: atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } ::sumAvg: 4.52 atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } :: atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } ::sumAvg: 4.815 atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } atom: 975 83F-HB2 B 3.329 ambi=2 { CB:40.269 } :: atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } atom: 976 83F-HB3 B 3.071 ambi=2 { CB:40.269 } :: atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } atom: 975 83F-HB2 B 3.329 ambi=2 { CB:40.269 } :: atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } atom: 976 83F-HB3 B 3.071 ambi=2 { CB:40.269 } ::sumAvg: 2.525 atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } atom: 1001 85G-H N 7.872 ambi=1 { N:106.263 } :: atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } atom: 1001 85G-H N 7.872 ambi=1 { N:106.263 } ::sumAvg: 4.77 atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } atom: 1007 86H-H N 7.598 ambi=1 { N:114.515 } :: atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } atom: 1007 86H-H N 7.598 ambi=1 { N:114.515 } ::sumAvg: 4.815 atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } atom: 1008 86H-HA A 5.015 ambi=1 { CA:54.968 } :: atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } atom: 1008 86H-HA A 5.015 ambi=1 { CA:54.968 } ::sumAvg: 4.005 atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } :: atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } atom: 360 31P-HB2 B 2.366 ambi=2 { CB:32.165 } :: atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } :: atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } atom: 361 31P-HB3 B 1.896 ambi=2 { CB:32.165 } ::sumAvg: 2.85 atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } :: atom: 363 31P-HG3 G 1.685 ambi=2 { CG:27.35 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } ::sumAvg: 3.32 atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } :: atom: 363 31P-HG3 G 1.685 ambi=2 { CG:27.35 } atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } ::sumAvg: 4.65 atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } :: atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 363 31P-HG3 G 1.685 ambi=2 { CG:27.35 } ::sumAvg: 4.65 atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } :: atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } :: atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } atom: 363 31P-HG3 G 1.685 ambi=2 { CG:27.35 } ::sumAvg: 4.235 atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } :: atom: 363 31P-HG3 G 1.685 ambi=2 { CG:27.35 } atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } ::sumAvg: 3.255 atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } :: atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 363 31P-HG3 G 1.685 ambi=2 { CG:27.35 } ::sumAvg: 3.255 atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } atom: 975 83F-HB2 B 3.329 ambi=2 { CB:40.269 } :: atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } atom: 976 83F-HB3 B 3.071 ambi=2 { CB:40.269 } :: atom: 363 31P-HG3 G 1.685 ambi=2 { CG:27.35 } atom: 975 83F-HB2 B 3.329 ambi=2 { CB:40.269 } :: atom: 363 31P-HG3 G 1.685 ambi=2 { CG:27.35 } atom: 976 83F-HB3 B 3.071 ambi=2 { CB:40.269 } ::sumAvg: 4.6 atom: 1008 86H-HA A 5.015 ambi=1 { CA:54.968 } atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } :: atom: 1008 86H-HA A 5.015 ambi=1 { CA:54.968 } atom: 363 31P-HG3 G 1.685 ambi=2 { CG:27.35 } ::sumAvg: 3.1 atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } :: atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } :: atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } atom: 363 31P-HG3 G 1.685 ambi=2 { CG:27.35 } :: atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } atom: 363 31P-HG3 G 1.685 ambi=2 { CG:27.35 } ::sumAvg: 3.055 atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } :: atom: 363 31P-HG3 G 1.685 ambi=2 { CG:27.35 } atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } ::sumAvg: 3.86 atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } ::sumAvg: 4.965 atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } ::sumAvg: 4.965 atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } atom: 362 31P-HG2 G 2.217 ambi=2 { CG:27.35 } :: atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } atom: 363 31P-HG3 G 1.685 ambi=2 { CG:27.35 } :: atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } atom: 363 31P-HG3 G 1.685 ambi=2 { CG:27.35 } ::sumAvg: 2.915 atom: 364 31P-HD2 D 3.688 ambi=2 { CD:49.876 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } :: atom: 365 31P-HD3 D 3.607 ambi=2 { CD:49.876 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } ::sumAvg: 2.955 atom: 364 31P-HD2 D 3.688 ambi=2 { CD:49.876 } atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } :: atom: 364 31P-HD2 D 3.688 ambi=2 { CD:49.876 } atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } :: atom: 365 31P-HD3 D 3.607 ambi=2 { CD:49.876 } atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } :: atom: 365 31P-HD3 D 3.607 ambi=2 { CD:49.876 } atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } ::sumAvg: 4.21 atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } atom: 364 31P-HD2 D 3.688 ambi=2 { CD:49.876 } :: atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } atom: 364 31P-HD2 D 3.688 ambi=2 { CD:49.876 } :: atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } atom: 365 31P-HD3 D 3.607 ambi=2 { CD:49.876 } :: atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } atom: 365 31P-HD3 D 3.607 ambi=2 { CD:49.876 } ::sumAvg: 4.21 atom: 364 31P-HD2 D 3.688 ambi=2 { CD:49.876 } atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } :: atom: 365 31P-HD3 D 3.607 ambi=2 { CD:49.876 } atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } ::sumAvg: 4.51 atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 364 31P-HD2 D 3.688 ambi=2 { CD:49.876 } :: atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 365 31P-HD3 D 3.607 ambi=2 { CD:49.876 } ::sumAvg: 4.51 atom: 364 31P-HD2 D 3.688 ambi=2 { CD:49.876 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 364 31P-HD2 D 3.688 ambi=2 { CD:49.876 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } :: atom: 365 31P-HD3 D 3.607 ambi=2 { CD:49.876 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 365 31P-HD3 D 3.607 ambi=2 { CD:49.876 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 3.55 atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } atom: 364 31P-HD2 D 3.688 ambi=2 { CD:49.876 } :: atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } atom: 364 31P-HD2 D 3.688 ambi=2 { CD:49.876 } :: atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } atom: 365 31P-HD3 D 3.607 ambi=2 { CD:49.876 } :: atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } atom: 365 31P-HD3 D 3.607 ambi=2 { CD:49.876 } ::sumAvg: 3.55 atom: 364 31P-HD2 D 3.688 ambi=2 { CD:49.876 } atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } :: atom: 365 31P-HD3 D 3.607 ambi=2 { CD:49.876 } atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } ::sumAvg: 4.22 atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } atom: 364 31P-HD2 D 3.688 ambi=2 { CD:49.876 } :: atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } atom: 365 31P-HD3 D 3.607 ambi=2 { CD:49.876 } ::sumAvg: 4.22 atom: 364 31P-HD2 D 3.688 ambi=2 { CD:49.876 } atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } :: atom: 364 31P-HD2 D 3.688 ambi=2 { CD:49.876 } atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } :: atom: 365 31P-HD3 D 3.607 ambi=2 { CD:49.876 } atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } :: atom: 365 31P-HD3 D 3.607 ambi=2 { CD:49.876 } atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } ::sumAvg: 2.73 atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } atom: 364 31P-HD2 D 3.688 ambi=2 { CD:49.876 } :: atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } atom: 364 31P-HD2 D 3.688 ambi=2 { CD:49.876 } :: atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } atom: 365 31P-HD3 D 3.607 ambi=2 { CD:49.876 } :: atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } atom: 365 31P-HD3 D 3.607 ambi=2 { CD:49.876 } ::sumAvg: 2.73 atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } ::sumAvg: 2.96 atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } ::sumAvg: 4.97 atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } ::sumAvg: 4.875 atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } ::sumAvg: 4.4 atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } :: atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } ::sumAvg: 4.665 atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } atom: 371 32L-H N 7.521 ambi=1 { N:121.001 } ::sumAvg: 4.595 atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } :: atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } ::sumAvg: 2.57 atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } ::sumAvg: 2.775 atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 2.73 atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 385 33C-H N 9.093 ambi=1 { N:120.683 } ::sumAvg: 2.26 atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 387 33C-HB2 B 2.986 ambi=2 { CB:28.535 } :: atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 388 33C-HB3 B 2.636 ambi=2 { CB:28.535 } ::sumAvg: 4.385 atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } ::sumAvg: 4.185 atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 921 78S-H N 9.089 ambi=1 { N:119.79 } ::sumAvg: 4.77 atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 929 79P-HB2 B 2.438 ambi=2 { CB:32.409 } :: atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 930 79P-HB3 B 2.127 ambi=2 { CB:32.409 } ::sumAvg: 4.3 atom: 929 79P-HB2 B 2.438 ambi=2 { CB:32.409 } atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } :: atom: 930 79P-HB3 B 2.127 ambi=2 { CB:32.409 } atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } ::sumAvg: 4.3 atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } ::sumAvg: 2.99 atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 942 80L-HB2 B 1.746 ambi=2 { CB:42.359 } :: atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } ::sumAvg: 4.415 atom: 942 80L-HB2 B 1.746 ambi=2 { CB:42.359 } atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } :: atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } ::sumAvg: 4.415 atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } ::sumAvg: 3.105 atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } ::sumAvg: 3.105 atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 945 80L-HD1 D1 0.892 ambi=2 { CD1:26.248 } :: atom: 372 32L-HA A 4.86 ambi=1 { CA:53.683 } atom: 946 80L-HD2 D2 0.971 ambi=2 { CD2:24.068 } ::sumAvg: 4.15 atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } :: atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } ::sumAvg: 4.715 atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } :: atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } ::sumAvg: 4.75 atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } atom: 399 34I-HD1 D1 0.9 ambi=1 { CD1:16.751 } ::sumAvg: 3.31 atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } :: atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } :: atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } ::sumAvg: 4.205 atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } :: atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } ::sumAvg: 4.67 atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } :: atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } ::sumAvg: 3.915 atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } :: atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } ::sumAvg: 3.915 atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } :: atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } :: atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } :: atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } ::sumAvg: 4.44 atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } :: atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } :: atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } :: atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } ::sumAvg: 4.44 atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } atom: 1063 91V-HA A 3.175 ambi=1 { CA:67.075 } :: atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } atom: 1063 91V-HA A 3.175 ambi=1 { CA:67.075 } ::sumAvg: 4.95 atom: 1063 91V-HA A 3.175 ambi=1 { CA:67.075 } atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } :: atom: 1063 91V-HA A 3.175 ambi=1 { CA:67.075 } atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } ::sumAvg: 4.95 atom: 373 32L-HB2 B 1.588 ambi=2 { CB:44.891 } atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } :: atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } ::sumAvg: 4.485 atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } atom: 374 32L-HB3 B 1.005 ambi=2 { CB:44.891 } ::sumAvg: 2.61 atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 385 33C-H N 9.093 ambi=1 { N:120.683 } ::sumAvg: 4.57 atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } ::sumAvg: 4.345 atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } ::sumAvg: 4.345 atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } ::sumAvg: 4.295 atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } ::sumAvg: 3.16 atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } ::sumAvg: 3.16 atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 929 79P-HB2 B 2.438 ambi=2 { CB:32.409 } :: atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 930 79P-HB3 B 2.127 ambi=2 { CB:32.409 } ::sumAvg: 4.015 atom: 929 79P-HB2 B 2.438 ambi=2 { CB:32.409 } atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } :: atom: 930 79P-HB3 B 2.127 ambi=2 { CB:32.409 } atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } ::sumAvg: 4.015 atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } :: atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } ::sumAvg: 4.93 atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } :: atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } ::sumAvg: 4.93 atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } ::sumAvg: 4.59 atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } :: atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } ::sumAvg: 4.27 atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } :: atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } ::sumAvg: 4.27 atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } ::sumAvg: 4.95 atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } :: atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } ::sumAvg: 4.04 atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } ::sumAvg: 4.57 atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } atom: 375 32L-HG G 1.231 ambi=1 { CG:27.395 } ::sumAvg: 4.57 atom: 399 34I-HD1 D1 0.9 ambi=1 { CD1:16.751 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 399 34I-HD1 D1 0.9 ambi=1 { CD1:16.751 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 3.87 atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } :: atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } ::sumAvg: 4.53 atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } :: atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 3.095 atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } :: atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } ::sumAvg: 3.935 atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 3.935 atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 2.32 atom: 909 77I-HB B 1.568 ambi=1 { CB:41.16 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 909 77I-HB B 1.568 ambi=1 { CB:41.16 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 4.525 atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } :: atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } ::sumAvg: 4.165 atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 4.165 atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 2.645 atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } :: atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 3.335 atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } :: atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } :: atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } :: atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } ::sumAvg: 3.22 atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } :: atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 3.22 atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } :: atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } ::sumAvg: 4.98 atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 4.98 atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } atom: 1008 86H-HA A 5.015 ambi=1 { CA:54.968 } :: atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } atom: 1008 86H-HA A 5.015 ambi=1 { CA:54.968 } ::sumAvg: 4.765 atom: 1008 86H-HA A 5.015 ambi=1 { CA:54.968 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 1008 86H-HA A 5.015 ambi=1 { CA:54.968 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 4.765 atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } :: atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 3.28 atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} :: atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.235 atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } :: atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } ::sumAvg: 3.395 atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } :: atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } ::sumAvg: 4.865 atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } :: atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } ::sumAvg: 3.965 atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } :: atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 2.615 atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } atom: 1064 91V-HB B 2.182 ambi=1 { CB:31.594 } :: atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } atom: 1064 91V-HB B 2.182 ambi=1 { CB:31.594 } ::sumAvg: 4.63 atom: 1064 91V-HB B 2.182 ambi=1 { CB:31.594 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 1064 91V-HB B 2.182 ambi=1 { CB:31.594 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 4.63 atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 2.51 atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } atom: 1092 93N-HB2 B 2.942 ambi=2 { CB:38.122 } :: atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } atom: 1093 93N-HB3 B 2.845 ambi=2 { CB:38.122 } :: atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } atom: 1092 93N-HB2 B 2.942 ambi=2 { CB:38.122 } :: atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } atom: 1093 93N-HB3 B 2.845 ambi=2 { CB:38.122 } ::sumAvg: 4.885 atom: 1092 93N-HB2 B 2.942 ambi=2 { CB:38.122 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 1093 93N-HB3 B 2.845 ambi=2 { CB:38.122 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 1092 93N-HB2 B 2.942 ambi=2 { CB:38.122 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } :: atom: 1093 93N-HB3 B 2.845 ambi=2 { CB:38.122 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 4.885 atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } :: atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } ::sumAvg: 4.595 atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } atom: 1109 95I-H N 8.716 ambi=1 { N:119.174 } :: atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } atom: 1109 95I-H N 8.716 ambi=1 { N:119.174 } ::sumAvg: 4.94 atom: 376 32L-HD1 D1 0.5 ambi=2 { CD1:27.166 } atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } :: atom: 377 32L-HD2 D2 0.32 ambi=2 { CD2:23.309 } atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } ::sumAvg: 4.935 atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 385 33C-H N 9.093 ambi=1 { N:120.683 } ::sumAvg: 2.955 atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 385 33C-H N 9.093 ambi=1 { N:120.683 } ::sumAvg: 3.435 atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } atom: 385 33C-H N 9.093 ambi=1 { N:120.683 } ::sumAvg: 3.355 atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 387 33C-HB2 B 2.986 ambi=2 { CB:28.535 } :: atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 388 33C-HB3 B 2.636 ambi=2 { CB:28.535 } ::sumAvg: 2.51 atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 393 34I-H N 9.284 ambi=1 { N:128.931 } ::sumAvg: 2.16 atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 395 34I-HB B 1.837 ambi=1 { CB:40.88 } ::sumAvg: 4.725 atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } :: atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } ::sumAvg: 3.56 atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 399 34I-HD1 D1 0.9 ambi=1 { CD1:16.751 } ::sumAvg: 4.085 atom: 399 34I-HD1 D1 0.9 ambi=1 { CD1:16.751 } atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } ::sumAvg: 4.085 atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } ::sumAvg: 4.96 atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 921 78S-H N 9.089 ambi=1 { N:119.79 } ::sumAvg: 4.95 atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } ::sumAvg: 4.35 atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } ::sumAvg: 4.35 atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 945 80L-HD1 D1 0.892 ambi=2 { CD1:26.248 } :: atom: 386 33C-HA A 4.837 ambi=1 { CA:57.4 } atom: 946 80L-HD2 D2 0.971 ambi=2 { CD2:24.068 } ::sumAvg: 3.635 atom: 387 33C-HB2 B 2.986 ambi=2 { CB:28.535 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } :: atom: 388 33C-HB3 B 2.636 ambi=2 { CB:28.535 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } ::sumAvg: 4.86 atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } atom: 387 33C-HB2 B 2.986 ambi=2 { CB:28.535 } :: atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } atom: 388 33C-HB3 B 2.636 ambi=2 { CB:28.535 } ::sumAvg: 4.86 atom: 387 33C-HB2 B 2.986 ambi=2 { CB:28.535 } atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } :: atom: 388 33C-HB3 B 2.636 ambi=2 { CB:28.535 } atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } ::sumAvg: 4.995 atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 387 33C-HB2 B 2.986 ambi=2 { CB:28.535 } :: atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 388 33C-HB3 B 2.636 ambi=2 { CB:28.535 } ::sumAvg: 4.995 atom: 387 33C-HB2 B 2.986 ambi=2 { CB:28.535 } atom: 923 78S-HB2 B 3.96 ambi=2 { CB:65.691 } :: atom: 387 33C-HB2 B 2.986 ambi=2 { CB:28.535 } atom: 924 78S-HB3 B 3.78 ambi=2 { CB:65.691 } :: atom: 388 33C-HB3 B 2.636 ambi=2 { CB:28.535 } atom: 923 78S-HB2 B 3.96 ambi=2 { CB:65.691 } :: atom: 388 33C-HB3 B 2.636 ambi=2 { CB:28.535 } atom: 924 78S-HB3 B 3.78 ambi=2 { CB:65.691 } ::sumAvg: 3.965 atom: 923 78S-HB2 B 3.96 ambi=2 { CB:65.691 } atom: 387 33C-HB2 B 2.986 ambi=2 { CB:28.535 } :: atom: 924 78S-HB3 B 3.78 ambi=2 { CB:65.691 } atom: 387 33C-HB2 B 2.986 ambi=2 { CB:28.535 } :: atom: 923 78S-HB2 B 3.96 ambi=2 { CB:65.691 } atom: 388 33C-HB3 B 2.636 ambi=2 { CB:28.535 } :: atom: 924 78S-HB3 B 3.78 ambi=2 { CB:65.691 } atom: 388 33C-HB3 B 2.636 ambi=2 { CB:28.535 } ::sumAvg: 3.965 atom: 387 33C-HB2 B 2.986 ambi=2 { CB:28.535 } atom: 941 80L-HA A 4.679 ambi=1 { CA:53.206 } :: atom: 388 33C-HB3 B 2.636 ambi=2 { CB:28.535 } atom: 941 80L-HA A 4.679 ambi=1 { CA:53.206 } ::sumAvg: 4.39 atom: 941 80L-HA A 4.679 ambi=1 { CA:53.206 } atom: 387 33C-HB2 B 2.986 ambi=2 { CB:28.535 } :: atom: 941 80L-HA A 4.679 ambi=1 { CA:53.206 } atom: 388 33C-HB3 B 2.636 ambi=2 { CB:28.535 } ::sumAvg: 4.39 atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } atom: 387 33C-HB2 B 2.986 ambi=2 { CB:28.535 } :: atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } atom: 388 33C-HB3 B 2.636 ambi=2 { CB:28.535 } ::sumAvg: 3.05 atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 393 34I-H N 9.284 ambi=1 { N:128.931 } ::sumAvg: 4.91 atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } atom: 393 34I-H N 9.284 ambi=1 { N:128.931 } :: atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } atom: 393 34I-H N 9.284 ambi=1 { N:128.931 } ::sumAvg: 4.975 atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } atom: 395 34I-HB B 1.837 ambi=1 { CB:40.88 } ::sumAvg: 3.03 atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } :: atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } ::sumAvg: 3.205 atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } atom: 399 34I-HD1 D1 0.9 ambi=1 { CD1:16.751 } ::sumAvg: 2.1 atom: 408 35R-HA A 5.378 ambi=1 { CA:54.992 } atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } ::sumAvg: 4.485 atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } atom: 409 35R-HB2 B 2.019 ambi=2 { CB:34.338 } :: atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } atom: 410 35R-HB3 B 1.794 ambi=2 { CB:34.338 } ::sumAvg: 4.675 atom: 409 35R-HB2 B 2.019 ambi=2 { CB:34.338 } atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } :: atom: 410 35R-HB3 B 1.794 ambi=2 { CB:34.338 } atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } ::sumAvg: 4.675 atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } atom: 910 77I-HG12 G1 1.658 ambi=2 { CG1:27.37 } :: atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } ::sumAvg: 2.785 atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } ::sumAvg: 3.565 atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } atom: 913 77I-HD1 D1 0.704 ambi=1 { CD1:14.625 } ::sumAvg: 4.315 atom: 913 77I-HD1 D1 0.704 ambi=1 { CD1:14.625 } atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } ::sumAvg: 4.315 atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } atom: 921 78S-H N 9.089 ambi=1 { N:119.79 } ::sumAvg: 4.165 atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } ::sumAvg: 4.905 atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } ::sumAvg: 4.905 atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } :: atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } ::sumAvg: 4.825 atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } :: atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } ::sumAvg: 4.825 atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } :: atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } ::sumAvg: 4.035 atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } :: atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } atom: 394 34I-HA A 4.965 ambi=1 { CA:61.023 } ::sumAvg: 4.035 atom: 395 34I-HB B 1.837 ambi=1 { CB:40.88 } atom: 408 35R-HA A 5.378 ambi=1 { CA:54.992 } ::sumAvg: 4.765 atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } :: atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } ::sumAvg: 3.695 atom: 1131 97V-HB B 2.206 ambi=1 { CB:31.628 } atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } :: atom: 1131 97V-HB B 2.206 ambi=1 { CB:31.628 } atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } ::sumAvg: 2.66 atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } :: atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } ::sumAvg: 2.215 atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } atom: 1140 98L-H N 8.163 ambi=1 { N:122.824 } :: atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } atom: 1140 98L-H N 8.163 ambi=1 { N:122.824 } ::sumAvg: 4.13 atom: 1141 98L-HA A 3.953 ambi=1 { CA:58.598 } atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } :: atom: 1141 98L-HA A 3.953 ambi=1 { CA:58.598 } atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } ::sumAvg: 4.785 atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } atom: 396 34I-HG12 G1 1.521 ambi=2 { CG1:29.442 } :: atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } atom: 397 34I-HG13 G1 1.107 ambi=2 { CG1:29.442 } ::sumAvg: 4.46 atom: 408 35R-HA A 5.378 ambi=1 { CA:54.992 } atom: 398 34I-HG2 G2 0.816 ambi=1 { CG2:19.869 } ::sumAvg: 3.785 atom: 398 34I-HG2 G2 0.816 ambi=1 { CG2:19.869 } atom: 423 36I-H N 8.734 ambi=1 { N:119.897 } ::sumAvg: 4.265 atom: 398 34I-HG2 G2 0.816 ambi=1 { CG2:19.869 } atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } ::sumAvg: 4.68 atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 398 34I-HG2 G2 0.816 ambi=1 { CG2:19.869 } ::sumAvg: 4.68 atom: 398 34I-HG2 G2 0.816 ambi=1 { CG2:19.869 } atom: 425 36I-HB B 1.6 ambi=1 { CB:43.52 } ::sumAvg: 3.775 atom: 910 77I-HG12 G1 1.658 ambi=2 { CG1:27.37 } atom: 398 34I-HG2 G2 0.816 ambi=1 { CG2:19.869 } ::sumAvg: 2.635 atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } atom: 398 34I-HG2 G2 0.816 ambi=1 { CG2:19.869 } ::sumAvg: 4.78 atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } atom: 398 34I-HG2 G2 0.816 ambi=1 { CG2:19.869 } ::sumAvg: 4.43 atom: 398 34I-HG2 G2 0.816 ambi=1 { CG2:19.869 } atom: 1130 97V-HA A 3.721 ambi=1 { CA:66.254 } ::sumAvg: 4.935 atom: 1130 97V-HA A 3.721 ambi=1 { CA:66.254 } atom: 398 34I-HG2 G2 0.816 ambi=1 { CG2:19.869 } ::sumAvg: 4.935 atom: 1131 97V-HB B 2.206 ambi=1 { CB:31.628 } atom: 398 34I-HG2 G2 0.816 ambi=1 { CG2:19.869 } ::sumAvg: 3.44 atom: 399 34I-HD1 D1 0.9 ambi=1 { CD1:16.751 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } ::sumAvg: 2.985 atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } atom: 399 34I-HD1 D1 0.9 ambi=1 { CD1:16.751 } ::sumAvg: 2.985 atom: 909 77I-HB B 1.568 ambi=1 { CB:41.16 } atom: 399 34I-HD1 D1 0.9 ambi=1 { CD1:16.751 } ::sumAvg: 4.08 atom: 399 34I-HD1 D1 0.9 ambi=1 { CD1:16.751 } atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } ::sumAvg: 4.56 atom: 399 34I-HD1 D1 0.9 ambi=1 { CD1:16.751 } atom: 1109 95I-H N 8.716 ambi=1 { N:119.174 } ::sumAvg: 4.51 atom: 399 34I-HD1 D1 0.9 ambi=1 { CD1:16.751 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } ::sumAvg: 4.285 atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } atom: 399 34I-HD1 D1 0.9 ambi=1 { CD1:16.751 } ::sumAvg: 4.285 atom: 1141 98L-HA A 3.953 ambi=1 { CA:58.598 } atom: 399 34I-HD1 D1 0.9 ambi=1 { CD1:16.751 } ::sumAvg: 4.035 atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } atom: 399 34I-HD1 D1 0.9 ambi=1 { CD1:16.751 } :: atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } atom: 399 34I-HD1 D1 0.9 ambi=1 { CD1:16.751 } ::sumAvg: 2.815 atom: 413 35R-HD2 D 3.202 ambi=2 { CD:43.904 } atom: 407 35R-H N 9.281 ambi=1 { N:126.82 } :: atom: 414 35R-HD3 D 3.025 ambi=2 { CD:43.904 } atom: 407 35R-H N 9.281 ambi=1 { N:126.82 } ::sumAvg: 4.83 atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } atom: 407 35R-H N 9.281 ambi=1 { N:126.82 } :: atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 407 35R-H N 9.281 ambi=1 { N:126.82 } ::sumAvg: 4.805 atom: 910 77I-HG12 G1 1.658 ambi=2 { CG1:27.37 } atom: 407 35R-H N 9.281 ambi=1 { N:126.82 } :: atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } atom: 407 35R-H N 9.281 ambi=1 { N:126.82 } ::sumAvg: 3.95 atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 407 35R-H N 9.281 ambi=1 { N:126.82 } ::sumAvg: 4.97 atom: 408 35R-HA A 5.378 ambi=1 { CA:54.992 } atom: 413 35R-HD2 D 3.202 ambi=2 { CD:43.904 } :: atom: 408 35R-HA A 5.378 ambi=1 { CA:54.992 } atom: 414 35R-HD3 D 3.025 ambi=2 { CD:43.904 } ::sumAvg: 4.435 atom: 413 35R-HD2 D 3.202 ambi=2 { CD:43.904 } atom: 408 35R-HA A 5.378 ambi=1 { CA:54.992 } :: atom: 414 35R-HD3 D 3.025 ambi=2 { CD:43.904 } atom: 408 35R-HA A 5.378 ambi=1 { CA:54.992 } ::sumAvg: 4.435 atom: 408 35R-HA A 5.378 ambi=1 { CA:54.992 } atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } ::sumAvg: 4.505 atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 408 35R-HA A 5.378 ambi=1 { CA:54.992 } ::sumAvg: 4.505 atom: 408 35R-HA A 5.378 ambi=1 { CA:54.992 } atom: 425 36I-HB B 1.6 ambi=1 { CB:43.52 } ::sumAvg: 4.495 atom: 425 36I-HB B 1.6 ambi=1 { CB:43.52 } atom: 408 35R-HA A 5.378 ambi=1 { CA:54.992 } ::sumAvg: 4.495 atom: 408 35R-HA A 5.378 ambi=1 { CA:54.992 } atom: 428 36I-HG2 G2 0.78 ambi=1 { CG2:17.095 } ::sumAvg: 4.555 atom: 428 36I-HG2 G2 0.78 ambi=1 { CG2:17.095 } atom: 408 35R-HA A 5.378 ambi=1 { CA:54.992 } ::sumAvg: 4.555 atom: 409 35R-HB2 B 2.019 ambi=2 { CB:34.338 } atom: 415 35R-HE E 7.077 ambi=1 { NE:84.81 } :: atom: 410 35R-HB3 B 1.794 ambi=2 { CB:34.338 } atom: 415 35R-HE E 7.077 ambi=1 { NE:84.81 } ::sumAvg: 3.645 atom: 409 35R-HB2 B 2.019 ambi=2 { CB:34.338 } atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } :: atom: 410 35R-HB3 B 1.794 ambi=2 { CB:34.338 } atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } ::sumAvg: 4.705 atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 409 35R-HB2 B 2.019 ambi=2 { CB:34.338 } :: atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 410 35R-HB3 B 1.794 ambi=2 { CB:34.338 } ::sumAvg: 4.705 atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } atom: 409 35R-HB2 B 2.019 ambi=2 { CB:34.338 } :: atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 409 35R-HB2 B 2.019 ambi=2 { CB:34.338 } :: atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } atom: 410 35R-HB3 B 1.794 ambi=2 { CB:34.338 } :: atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 410 35R-HB3 B 1.794 ambi=2 { CB:34.338 } ::sumAvg: 4.04 atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } atom: 409 35R-HB2 B 2.019 ambi=2 { CB:34.338 } :: atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } atom: 410 35R-HB3 B 1.794 ambi=2 { CB:34.338 } ::sumAvg: 4.74 atom: 410 35R-HB3 B 1.794 ambi=2 { CB:34.338 } atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } ::sumAvg: 2.425 atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } atom: 410 35R-HB3 B 1.794 ambi=2 { CB:34.338 } ::sumAvg: 2.425 atom: 410 35R-HB3 B 1.794 ambi=2 { CB:34.338 } atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } ::sumAvg: 4.39 atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } atom: 409 35R-HB2 B 2.019 ambi=2 { CB:34.338 } :: atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } atom: 410 35R-HB3 B 1.794 ambi=2 { CB:34.338 } ::sumAvg: 4.99 atom: 411 35R-HG2 G 1.831 ambi=2 { CG:28.786 } atom: 415 35R-HE E 7.077 ambi=1 { NE:84.81 } :: atom: 412 35R-HG3 G 1.518 ambi=2 { CG:28.786 } atom: 415 35R-HE E 7.077 ambi=1 { NE:84.81 } ::sumAvg: 3.045 atom: 411 35R-HG2 G 1.831 ambi=2 { CG:28.786 } atom: 423 36I-H N 8.734 ambi=1 { N:119.897 } :: atom: 412 35R-HG3 G 1.518 ambi=2 { CG:28.786 } atom: 423 36I-H N 8.734 ambi=1 { N:119.897 } ::sumAvg: 3.735 atom: 411 35R-HG2 G 1.831 ambi=2 { CG:28.786 } atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } :: atom: 412 35R-HG3 G 1.518 ambi=2 { CG:28.786 } atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } :: atom: 412 35R-HG3 G 1.518 ambi=2 { CG:28.786 } atom: 899 76E-HB3 B 2.076 ambi=2 { CB:36.835 } ::sumAvg: 4.065 atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } atom: 411 35R-HG2 G 1.831 ambi=2 { CG:28.786 } :: atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } atom: 412 35R-HG3 G 1.518 ambi=2 { CG:28.786 } :: atom: 899 76E-HB3 B 2.076 ambi=2 { CB:36.835 } atom: 412 35R-HG3 G 1.518 ambi=2 { CG:28.786 } ::sumAvg: 4.065 atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } atom: 413 35R-HD2 D 3.202 ambi=2 { CD:43.904 } :: atom: 899 76E-HB3 B 2.076 ambi=2 { CB:36.835 } atom: 413 35R-HD2 D 3.202 ambi=2 { CD:43.904 } :: atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } atom: 414 35R-HD3 D 3.025 ambi=2 { CD:43.904 } :: atom: 899 76E-HB3 B 2.076 ambi=2 { CB:36.835 } atom: 414 35R-HD3 D 3.025 ambi=2 { CD:43.904 } ::sumAvg: 3.51 atom: 413 35R-HD2 D 3.202 ambi=2 { CD:43.904 } atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } :: atom: 413 35R-HD2 D 3.202 ambi=2 { CD:43.904 } atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } :: atom: 414 35R-HD3 D 3.025 ambi=2 { CD:43.904 } atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } :: atom: 414 35R-HD3 D 3.025 ambi=2 { CD:43.904 } atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } ::sumAvg: 4.81 atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } atom: 413 35R-HD2 D 3.202 ambi=2 { CD:43.904 } :: atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } atom: 413 35R-HD2 D 3.202 ambi=2 { CD:43.904 } :: atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } atom: 414 35R-HD3 D 3.025 ambi=2 { CD:43.904 } :: atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } atom: 414 35R-HD3 D 3.025 ambi=2 { CD:43.904 } ::sumAvg: 4.81 atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } atom: 415 35R-HE E 7.077 ambi=1 { NE:84.81 } :: atom: 899 76E-HB3 B 2.076 ambi=2 { CB:36.835 } atom: 415 35R-HE E 7.077 ambi=1 { NE:84.81 } ::sumAvg: 4.92 atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 423 36I-H N 8.734 ambi=1 { N:119.897 } ::sumAvg: 2.94 atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } atom: 423 36I-H N 8.734 ambi=1 { N:119.897 } :: atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } atom: 423 36I-H N 8.734 ambi=1 { N:119.897 } ::sumAvg: 3.8 atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 423 36I-H N 8.734 ambi=1 { N:119.897 } ::sumAvg: 4.735 atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } atom: 423 36I-H N 8.734 ambi=1 { N:119.897 } :: atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 423 36I-H N 8.734 ambi=1 { N:119.897 } ::sumAvg: 4.56 atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 425 36I-HB B 1.6 ambi=1 { CB:43.52 } ::sumAvg: 2.76 atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } :: atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } ::sumAvg: 2.625 atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } :: atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } ::sumAvg: 2.625 atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 428 36I-HG2 G2 0.78 ambi=1 { CG2:17.095 } ::sumAvg: 2.79 atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 429 36I-HD1 D1 0.786 ambi=1 { CD1:14.393 } ::sumAvg: 2.995 atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 437 37D-H N 8.075 ambi=1 { N:122.281 } ::sumAvg: 2.23 atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } :: atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } ::sumAvg: 4.7 atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } :: atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } ::sumAvg: 4.84 atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } ::sumAvg: 2.595 atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } ::sumAvg: 4.025 atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } :: atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } ::sumAvg: 3.61 atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } :: atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } ::sumAvg: 3.61 atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 1185 102L-HD1 D1 0.584 ambi=2 { CD1:26.643 } :: atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } atom: 1186 102L-HD2 D2 0.764 ambi=2 { CD2:22.551 } ::sumAvg: 4.4 atom: 1185 102L-HD1 D1 0.584 ambi=2 { CD1:26.643 } atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } :: atom: 1186 102L-HD2 D2 0.764 ambi=2 { CD2:22.551 } atom: 424 36I-HA A 4.727 ambi=1 { CA:60.357 } ::sumAvg: 4.4 atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } atom: 425 36I-HB B 1.6 ambi=1 { CB:43.52 } ::sumAvg: 2.415 atom: 425 36I-HB B 1.6 ambi=1 { CB:43.52 } atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } :: atom: 425 36I-HB B 1.6 ambi=1 { CB:43.52 } atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } ::sumAvg: 4.945 atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } atom: 425 36I-HB B 1.6 ambi=1 { CB:43.52 } :: atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 425 36I-HB B 1.6 ambi=1 { CB:43.52 } ::sumAvg: 4.945 atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } atom: 425 36I-HB B 1.6 ambi=1 { CB:43.52 } :: atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } atom: 425 36I-HB B 1.6 ambi=1 { CB:43.52 } ::sumAvg: 3.845 atom: 425 36I-HB B 1.6 ambi=1 { CB:43.52 } atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } :: atom: 425 36I-HB B 1.6 ambi=1 { CB:43.52 } atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } ::sumAvg: 4.88 atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } atom: 425 36I-HB B 1.6 ambi=1 { CB:43.52 } :: atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } atom: 425 36I-HB B 1.6 ambi=1 { CB:43.52 } ::sumAvg: 4.88 atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } :: atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } :: atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } :: atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } ::sumAvg: 4.18 atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } :: atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } :: atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } :: atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } ::sumAvg: 4.18 atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } :: atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } ::sumAvg: 4.865 atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } atom: 1141 98L-HA A 3.953 ambi=1 { CA:58.598 } :: atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } atom: 1141 98L-HA A 3.953 ambi=1 { CA:58.598 } ::sumAvg: 4.33 atom: 1141 98L-HA A 3.953 ambi=1 { CA:58.598 } atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } :: atom: 1141 98L-HA A 3.953 ambi=1 { CA:58.598 } atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } ::sumAvg: 4.33 atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } :: atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } ::sumAvg: 2.68 atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } :: atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } :: atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } :: atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } ::sumAvg: 3.85 atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } :: atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } :: atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } :: atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } ::sumAvg: 3.85 atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } ::sumAvg: 3.905 atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } atom: 427 36I-HG13 G1 0.876 ambi=2 { CG1:27.825 } ::sumAvg: 3.905 atom: 1185 102L-HD1 D1 0.584 ambi=2 { CD1:26.643 } atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } :: atom: 1186 102L-HD2 D2 0.764 ambi=2 { CD2:22.551 } atom: 426 36I-HG12 G1 1.475 ambi=2 { CG1:27.825 } ::sumAvg: 4.005 atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 428 36I-HG2 G2 0.78 ambi=1 { CG2:17.095 } ::sumAvg: 3.64 atom: 447 38Q-HB2 B 2.291 ambi=2 { CB:29.331 } atom: 428 36I-HG2 G2 0.78 ambi=1 { CG2:17.095 } :: atom: 448 38Q-HB3 B 2.266 ambi=2 { CB:29.331 } atom: 428 36I-HG2 G2 0.78 ambi=1 { CG2:17.095 } ::sumAvg: 4.79 atom: 428 36I-HG2 G2 0.78 ambi=1 { CG2:17.095 } atom: 451 38Q-HE21 E2 7.111 ambi=1 { NE2:111.718 } ::sumAvg: 3.995 atom: 428 36I-HG2 G2 0.78 ambi=1 { CG2:17.095 } atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } ::sumAvg: 3.965 atom: 428 36I-HG2 G2 0.78 ambi=1 { CG2:17.095 } atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } :: atom: 428 36I-HG2 G2 0.78 ambi=1 { CG2:17.095 } atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } ::sumAvg: 3.14 atom: 429 36I-HD1 D1 0.786 ambi=1 { CD1:14.393 } atom: 437 37D-H N 8.075 ambi=1 { N:122.281 } ::sumAvg: 4.46 atom: 429 36I-HD1 D1 0.786 ambi=1 { CD1:14.393 } atom: 449 38Q-HG2 G 2.514 ambi=2 { CG:35.394 } :: atom: 429 36I-HD1 D1 0.786 ambi=1 { CD1:14.393 } atom: 450 38Q-HG3 G 2.271 ambi=2 { CG:35.394 } ::sumAvg: 4.905 atom: 429 36I-HD1 D1 0.786 ambi=1 { CD1:14.393 } atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } :: atom: 429 36I-HD1 D1 0.786 ambi=1 { CD1:14.393 } atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } ::sumAvg: 4.32 atom: 429 36I-HD1 D1 0.786 ambi=1 { CD1:14.393 } atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } ::sumAvg: 4.925 atom: 429 36I-HD1 D1 0.786 ambi=1 { CD1:14.393 } atom: 1144 98L-HG G 1.368 ambi=1 { CG:27.152 } ::sumAvg: 3.89 atom: 429 36I-HD1 D1 0.786 ambi=1 { CD1:14.393 } atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } :: atom: 429 36I-HD1 D1 0.786 ambi=1 { CD1:14.393 } atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } ::sumAvg: 4.3 atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 437 37D-H N 8.075 ambi=1 { N:122.281 } ::sumAvg: 2.945 atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } atom: 437 37D-H N 8.075 ambi=1 { N:122.281 } ::sumAvg: 4.82 atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 437 37D-H N 8.075 ambi=1 { N:122.281 } ::sumAvg: 4.11 atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } atom: 437 37D-H N 8.075 ambi=1 { N:122.281 } :: atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } atom: 437 37D-H N 8.075 ambi=1 { N:122.281 } ::sumAvg: 4.385 atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } atom: 437 37D-H N 8.075 ambi=1 { N:122.281 } :: atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 437 37D-H N 8.075 ambi=1 { N:122.281 } ::sumAvg: 3.44 atom: 1185 102L-HD1 D1 0.584 ambi=2 { CD1:26.643 } atom: 437 37D-H N 8.075 ambi=1 { N:122.281 } :: atom: 1186 102L-HD2 D2 0.764 ambi=2 { CD2:22.551 } atom: 437 37D-H N 8.075 ambi=1 { N:122.281 } ::sumAvg: 4.585 atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } :: atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } ::sumAvg: 2.605 atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } ::sumAvg: 2.105 atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 446 38Q-HA A 4.107 ambi=1 { CA:57.015 } ::sumAvg: 4.405 atom: 446 38Q-HA A 4.107 ambi=1 { CA:57.015 } atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } ::sumAvg: 4.405 atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 447 38Q-HB2 B 2.291 ambi=2 { CB:29.331 } :: atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 448 38Q-HB3 B 2.266 ambi=2 { CB:29.331 } ::sumAvg: 4.555 atom: 447 38Q-HB2 B 2.291 ambi=2 { CB:29.331 } atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } :: atom: 448 38Q-HB3 B 2.266 ambi=2 { CB:29.331 } atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } ::sumAvg: 4.555 atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 449 38Q-HG2 G 2.514 ambi=2 { CG:35.394 } :: atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 450 38Q-HG3 G 2.271 ambi=2 { CG:35.394 } ::sumAvg: 3.78 atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 460 39A-H N 8.497 ambi=1 { N:119.974 } ::sumAvg: 3.715 atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } atom: 462 39A-HB B 1.441 ambi=1 { CB:20.63 } ::sumAvg: 4.8 atom: 462 39A-HB B 1.441 ambi=1 { CB:20.63 } atom: 438 37D-HA A 4.79 ambi=1 { CA:53.238 } ::sumAvg: 4.8 atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } :: atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } atom: 445 38Q-H N 9.113 ambi=1 { N:125.835 } ::sumAvg: 4.1 atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } atom: 460 39A-H N 8.497 ambi=1 { N:119.974 } :: atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } atom: 460 39A-H N 8.497 ambi=1 { N:119.974 } ::sumAvg: 3.79 atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } atom: 467 40I-H N 6.805 ambi=1 { N:117.228 } :: atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } atom: 467 40I-H N 6.805 ambi=1 { N:117.228 } ::sumAvg: 4.025 atom: 469 40I-HB B 2.059 ambi=1 { CB:36.222 } atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } :: atom: 469 40I-HB B 2.059 ambi=1 { CB:36.222 } atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } ::sumAvg: 4.165 atom: 470 40I-HG12 G1 1.514 ambi=2 { CG1:26.834 } atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } :: atom: 471 40I-HG13 G1 1.475 ambi=2 { CG1:26.834 } atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } :: atom: 470 40I-HG12 G1 1.514 ambi=2 { CG1:26.834 } atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } :: atom: 471 40I-HG13 G1 1.475 ambi=2 { CG1:26.834 } atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } ::sumAvg: 3.775 atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } :: atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } ::sumAvg: 3.355 atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } :: atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } ::sumAvg: 3.355 atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } atom: 881 74V-HB B 2.411 ambi=1 { CB:33.837 } ::sumAvg: 3.535 atom: 881 74V-HB B 2.411 ambi=1 { CB:33.837 } atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } ::sumAvg: 3.535 atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } :: atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } atom: 439 37D-HB2 B 3.32 ambi=2 { CB:41.499 } :: atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } :: atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } atom: 440 37D-HB3 B 2.527 ambi=2 { CB:41.499 } ::sumAvg: 4.115 atom: 446 38Q-HA A 4.107 ambi=1 { CA:57.015 } atom: 462 39A-HB B 1.441 ambi=1 { CB:20.63 } ::sumAvg: 4.96 atom: 446 38Q-HA A 4.107 ambi=1 { CA:57.015 } atom: 467 40I-H N 6.805 ambi=1 { N:117.228 } ::sumAvg: 3.825 atom: 485 41M-HG2 G 2.484 ambi=2 { CG:31.526 } atom: 446 38Q-HA A 4.107 ambi=1 { CA:57.015 } :: atom: 486 41M-HG3 G 2.428 ambi=2 { CG:31.526 } atom: 446 38Q-HA A 4.107 ambi=1 { CA:57.015 } ::sumAvg: 4.985 atom: 487 41M-HE E 2.056 ambi=1 { CE:17.19 } atom: 446 38Q-HA A 4.107 ambi=1 { CA:57.015 } ::sumAvg: 4.755 atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } atom: 446 38Q-HA A 4.107 ambi=1 { CA:57.015 } :: atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } atom: 446 38Q-HA A 4.107 ambi=1 { CA:57.015 } ::sumAvg: 4.55 atom: 447 38Q-HB2 B 2.291 ambi=2 { CB:29.331 } atom: 451 38Q-HE21 E2 7.111 ambi=1 { NE2:111.718 } :: atom: 447 38Q-HB2 B 2.291 ambi=2 { CB:29.331 } atom: 452 38Q-HE22 E2 6.99 ambi=1 { NE2:111.718 } :: atom: 448 38Q-HB3 B 2.266 ambi=2 { CB:29.331 } atom: 451 38Q-HE21 E2 7.111 ambi=1 { NE2:111.718 } :: atom: 448 38Q-HB3 B 2.266 ambi=2 { CB:29.331 } atom: 452 38Q-HE22 E2 6.99 ambi=1 { NE2:111.718 } ::sumAvg: 3.905 atom: 447 38Q-HB2 B 2.291 ambi=2 { CB:29.331 } atom: 460 39A-H N 8.497 ambi=1 { N:119.974 } :: atom: 448 38Q-HB3 B 2.266 ambi=2 { CB:29.331 } atom: 460 39A-H N 8.497 ambi=1 { N:119.974 } ::sumAvg: 3.405 atom: 447 38Q-HB2 B 2.291 ambi=2 { CB:29.331 } atom: 461 39A-HA A 4.296 ambi=1 { CA:52.873 } :: atom: 448 38Q-HB3 B 2.266 ambi=2 { CB:29.331 } atom: 461 39A-HA A 4.296 ambi=1 { CA:52.873 } ::sumAvg: 4.44 atom: 461 39A-HA A 4.296 ambi=1 { CA:52.873 } atom: 447 38Q-HB2 B 2.291 ambi=2 { CB:29.331 } :: atom: 461 39A-HA A 4.296 ambi=1 { CA:52.873 } atom: 448 38Q-HB3 B 2.266 ambi=2 { CB:29.331 } ::sumAvg: 4.44 atom: 447 38Q-HB2 B 2.291 ambi=2 { CB:29.331 } atom: 462 39A-HB B 1.441 ambi=1 { CB:20.63 } :: atom: 448 38Q-HB3 B 2.266 ambi=2 { CB:29.331 } atom: 462 39A-HB B 1.441 ambi=1 { CB:20.63 } ::sumAvg: 4.505 atom: 462 39A-HB B 1.441 ambi=1 { CB:20.63 } atom: 447 38Q-HB2 B 2.291 ambi=2 { CB:29.331 } :: atom: 462 39A-HB B 1.441 ambi=1 { CB:20.63 } atom: 448 38Q-HB3 B 2.266 ambi=2 { CB:29.331 } ::sumAvg: 4.505 atom: 447 38Q-HB2 B 2.291 ambi=2 { CB:29.331 } atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } :: atom: 447 38Q-HB2 B 2.291 ambi=2 { CB:29.331 } atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } :: atom: 448 38Q-HB3 B 2.266 ambi=2 { CB:29.331 } atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } :: atom: 448 38Q-HB3 B 2.266 ambi=2 { CB:29.331 } atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } ::sumAvg: 3.435 atom: 449 38Q-HG2 G 2.514 ambi=2 { CG:35.394 } atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } :: atom: 449 38Q-HG2 G 2.514 ambi=2 { CG:35.394 } atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } :: atom: 450 38Q-HG3 G 2.271 ambi=2 { CG:35.394 } atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } :: atom: 450 38Q-HG3 G 2.271 ambi=2 { CG:35.394 } atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } ::sumAvg: 3.095 atom: 470 40I-HG12 G1 1.514 ambi=2 { CG1:26.834 } atom: 460 39A-H N 8.497 ambi=1 { N:119.974 } :: atom: 471 40I-HG13 G1 1.475 ambi=2 { CG1:26.834 } atom: 460 39A-H N 8.497 ambi=1 { N:119.974 } ::sumAvg: 4.57 atom: 461 39A-HA A 4.296 ambi=1 { CA:52.873 } atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } ::sumAvg: 4.385 atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } atom: 461 39A-HA A 4.296 ambi=1 { CA:52.873 } ::sumAvg: 4.385 atom: 461 39A-HA A 4.296 ambi=1 { CA:52.873 } atom: 485 41M-HG2 G 2.484 ambi=2 { CG:31.526 } :: atom: 461 39A-HA A 4.296 ambi=1 { CA:52.873 } atom: 486 41M-HG3 G 2.428 ambi=2 { CG:31.526 } ::sumAvg: 4.265 atom: 485 41M-HG2 G 2.484 ambi=2 { CG:31.526 } atom: 461 39A-HA A 4.296 ambi=1 { CA:52.873 } :: atom: 486 41M-HG3 G 2.428 ambi=2 { CG:31.526 } atom: 461 39A-HA A 4.296 ambi=1 { CA:52.873 } ::sumAvg: 4.265 atom: 485 41M-HG2 G 2.484 ambi=2 { CG:31.526 } atom: 467 40I-H N 6.805 ambi=1 { N:117.228 } :: atom: 486 41M-HG3 G 2.428 ambi=2 { CG:31.526 } atom: 467 40I-H N 6.805 ambi=1 { N:117.228 } ::sumAvg: 4.17 atom: 470 40I-HG12 G1 1.514 ambi=2 { CG1:26.834 } atom: 468 40I-HA A 4.11 ambi=1 { CA:59.272 } :: atom: 471 40I-HG13 G1 1.475 ambi=2 { CG1:26.834 } atom: 468 40I-HA A 4.11 ambi=1 { CA:59.272 } ::sumAvg: 2.76 atom: 468 40I-HA A 4.11 ambi=1 { CA:59.272 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } ::sumAvg: 4.425 atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } atom: 468 40I-HA A 4.11 ambi=1 { CA:59.272 } ::sumAvg: 4.425 atom: 483 41M-HB2 B 2.095 ambi=2 { CB:37.139 } atom: 468 40I-HA A 4.11 ambi=1 { CA:59.272 } :: atom: 484 41M-HB3 B 1.85 ambi=2 { CB:37.139 } atom: 468 40I-HA A 4.11 ambi=1 { CA:59.272 } ::sumAvg: 4.575 atom: 485 41M-HG2 G 2.484 ambi=2 { CG:31.526 } atom: 468 40I-HA A 4.11 ambi=1 { CA:59.272 } :: atom: 486 41M-HG3 G 2.428 ambi=2 { CG:31.526 } atom: 468 40I-HA A 4.11 ambi=1 { CA:59.272 } ::sumAvg: 4.055 atom: 506 43K-HG2 G 1.627 ambi=2 { CG:24.793 } atom: 468 40I-HA A 4.11 ambi=1 { CA:59.272 } :: atom: 507 43K-HG3 G 1.332 ambi=2 { CG:24.793 } atom: 468 40I-HA A 4.11 ambi=1 { CA:59.272 } ::sumAvg: 4.145 atom: 468 40I-HA A 4.11 ambi=1 { CA:59.272 } atom: 510 43K-HE2 E 3.199 ambi=2 { CE:42.547 } :: atom: 468 40I-HA A 4.11 ambi=1 { CA:59.272 } atom: 511 43K-HE3 E 3.072 ambi=2 { CE:42.547 } ::sumAvg: 4.865 atom: 510 43K-HE2 E 3.199 ambi=2 { CE:42.547 } atom: 468 40I-HA A 4.11 ambi=1 { CA:59.272 } :: atom: 511 43K-HE3 E 3.072 ambi=2 { CE:42.547 } atom: 468 40I-HA A 4.11 ambi=1 { CA:59.272 } ::sumAvg: 4.865 atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } atom: 468 40I-HA A 4.11 ambi=1 { CA:59.272 } :: atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } atom: 468 40I-HA A 4.11 ambi=1 { CA:59.272 } ::sumAvg: 4.72 atom: 469 40I-HB B 2.059 ambi=1 { CB:36.222 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } ::sumAvg: 4.995 atom: 469 40I-HB B 2.059 ambi=1 { CB:36.222 } atom: 537 45I-HD1 D1 0.561 ambi=1 { CD1:14.178 } ::sumAvg: 3.64 atom: 537 45I-HD1 D1 0.561 ambi=1 { CD1:14.178 } atom: 469 40I-HB B 2.059 ambi=1 { CB:36.222 } ::sumAvg: 3.64 atom: 469 40I-HB B 2.059 ambi=1 { CB:36.222 } atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } ::sumAvg: 4.675 atom: 469 40I-HB B 2.059 ambi=1 { CB:36.222 } atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } ::sumAvg: 4.84 atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 469 40I-HB B 2.059 ambi=1 { CB:36.222 } ::sumAvg: 4.84 atom: 1185 102L-HD1 D1 0.584 ambi=2 { CD1:26.643 } atom: 469 40I-HB B 2.059 ambi=1 { CB:36.222 } :: atom: 1186 102L-HD2 D2 0.764 ambi=2 { CD2:22.551 } atom: 469 40I-HB B 2.059 ambi=1 { CB:36.222 } ::sumAvg: 4.285 atom: 470 40I-HG12 G1 1.514 ambi=2 { CG1:26.834 } atom: 481 41M-H N 8.477 ambi=1 { N:128.093 } :: atom: 471 40I-HG13 G1 1.475 ambi=2 { CG1:26.834 } atom: 481 41M-H N 8.477 ambi=1 { N:128.093 } ::sumAvg: 4.675 atom: 470 40I-HG12 G1 1.514 ambi=2 { CG1:26.834 } atom: 537 45I-HD1 D1 0.561 ambi=1 { CD1:14.178 } :: atom: 471 40I-HG13 G1 1.475 ambi=2 { CG1:26.834 } atom: 537 45I-HD1 D1 0.561 ambi=1 { CD1:14.178 } ::sumAvg: 4.65 atom: 537 45I-HD1 D1 0.561 ambi=1 { CD1:14.178 } atom: 470 40I-HG12 G1 1.514 ambi=2 { CG1:26.834 } :: atom: 537 45I-HD1 D1 0.561 ambi=1 { CD1:14.178 } atom: 471 40I-HG13 G1 1.475 ambi=2 { CG1:26.834 } ::sumAvg: 4.65 atom: 470 40I-HG12 G1 1.514 ambi=2 { CG1:26.834 } atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } :: atom: 471 40I-HG13 G1 1.475 ambi=2 { CG1:26.834 } atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } ::sumAvg: 4 atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 470 40I-HG12 G1 1.514 ambi=2 { CG1:26.834 } :: atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 471 40I-HG13 G1 1.475 ambi=2 { CG1:26.834 } ::sumAvg: 4 atom: 472 40I-HG2 G2 0.812 ambi=1 { CG2:16.825 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } ::sumAvg: 3.67 atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } atom: 472 40I-HG2 G2 0.812 ambi=1 { CG2:16.825 } ::sumAvg: 3.67 atom: 485 41M-HG2 G 2.484 ambi=2 { CG:31.526 } atom: 472 40I-HG2 G2 0.812 ambi=1 { CG2:16.825 } :: atom: 486 41M-HG3 G 2.428 ambi=2 { CG:31.526 } atom: 472 40I-HG2 G2 0.812 ambi=1 { CG2:16.825 } ::sumAvg: 4.935 atom: 472 40I-HG2 G2 0.812 ambi=1 { CG2:16.825 } atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } ::sumAvg: 4.735 atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } atom: 472 40I-HG2 G2 0.812 ambi=1 { CG2:16.825 } ::sumAvg: 4.735 atom: 472 40I-HG2 G2 0.812 ambi=1 { CG2:16.825 } atom: 510 43K-HE2 E 3.199 ambi=2 { CE:42.547 } :: atom: 472 40I-HG2 G2 0.812 ambi=1 { CG2:16.825 } atom: 511 43K-HE3 E 3.072 ambi=2 { CE:42.547 } ::sumAvg: 3.62 atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } atom: 472 40I-HG2 G2 0.812 ambi=1 { CG2:16.825 } ::sumAvg: 3.635 atom: 472 40I-HG2 G2 0.812 ambi=1 { CG2:16.825 } atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } ::sumAvg: 4.54 atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 472 40I-HG2 G2 0.812 ambi=1 { CG2:16.825 } ::sumAvg: 4.54 atom: 472 40I-HG2 G2 0.812 ambi=1 { CG2:16.825 } atom: 862 72A-HB B 1.376 ambi=1 { CB:19.39 } ::sumAvg: 4.55 atom: 862 72A-HB B 1.376 ambi=1 { CB:19.39 } atom: 472 40I-HG2 G2 0.812 ambi=1 { CG2:16.825 } ::sumAvg: 4.55 atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 472 40I-HG2 G2 0.812 ambi=1 { CG2:16.825 } ::sumAvg: 4.835 atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } atom: 506 43K-HG2 G 1.627 ambi=2 { CG:24.793 } :: atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } atom: 507 43K-HG3 G 1.332 ambi=2 { CG:24.793 } ::sumAvg: 4.49 atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } ::sumAvg: 3.97 atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } atom: 862 72A-HB B 1.376 ambi=1 { CB:19.39 } ::sumAvg: 4.415 atom: 862 72A-HB B 1.376 ambi=1 { CB:19.39 } atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } ::sumAvg: 4.415 atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } ::sumAvg: 3.43 atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } ::sumAvg: 3.43 atom: 881 74V-HB B 2.411 ambi=1 { CB:33.837 } atom: 473 40I-HD1 D1 0.762 ambi=1 { CD1:9.457 } ::sumAvg: 3.085 atom: 510 43K-HE2 E 3.199 ambi=2 { CE:42.547 } atom: 481 41M-H N 8.477 ambi=1 { N:128.093 } :: atom: 511 43K-HE3 E 3.072 ambi=2 { CE:42.547 } atom: 481 41M-H N 8.477 ambi=1 { N:128.093 } ::sumAvg: 4.66 atom: 487 41M-HE E 2.056 ambi=1 { CE:17.19 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } ::sumAvg: 4.225 atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } atom: 495 42D-HA A 4.484 ambi=1 { CA:55.944 } ::sumAvg: 4.475 atom: 495 42D-HA A 4.484 ambi=1 { CA:55.944 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } ::sumAvg: 4.475 atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } atom: 496 42D-HB2 B 3.03 ambi=2 { CB:39.808 } :: atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } atom: 497 42D-HB3 B 2.688 ambi=2 { CB:39.808 } ::sumAvg: 4.985 atom: 496 42D-HB2 B 3.03 ambi=2 { CB:39.808 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } :: atom: 497 42D-HB3 B 2.688 ambi=2 { CB:39.808 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } ::sumAvg: 4.985 atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } atom: 502 43K-H N 9.345 ambi=1 { N:117.863 } ::sumAvg: 3.645 atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } atom: 504 43K-HB2 B 1.77 ambi=2 { CB:34.597 } :: atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } atom: 505 43K-HB3 B 1.661 ambi=2 { CB:34.597 } ::sumAvg: 4.795 atom: 504 43K-HB2 B 1.77 ambi=2 { CB:34.597 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } :: atom: 505 43K-HB3 B 1.661 ambi=2 { CB:34.597 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } ::sumAvg: 4.795 atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } atom: 506 43K-HG2 G 1.627 ambi=2 { CG:24.793 } :: atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } atom: 507 43K-HG3 G 1.332 ambi=2 { CG:24.793 } ::sumAvg: 4.43 atom: 506 43K-HG2 G 1.627 ambi=2 { CG:24.793 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } :: atom: 507 43K-HG3 G 1.332 ambi=2 { CG:24.793 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } ::sumAvg: 4.43 atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } atom: 537 45I-HD1 D1 0.561 ambi=1 { CD1:14.178 } ::sumAvg: 4.69 atom: 537 45I-HD1 D1 0.561 ambi=1 { CD1:14.178 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } ::sumAvg: 4.69 atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } :: atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } ::sumAvg: 3.16 atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } :: atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } ::sumAvg: 4.585 atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } atom: 1233 106D-HB2 B 3.102 ambi=2 { CB:38.257 } :: atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } atom: 1234 106D-HB3 B 2.889 ambi=2 { CB:38.257 } ::sumAvg: 4.615 atom: 1233 106D-HB2 B 3.102 ambi=2 { CB:38.257 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } :: atom: 1234 106D-HB3 B 2.889 ambi=2 { CB:38.257 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } ::sumAvg: 4.615 atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } atom: 1239 107N-H N 7.116 ambi=1 { N:112.783 } ::sumAvg: 4.48 atom: 1241 107N-HB2 B 2.462 ambi=2 { CB:40.589 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } :: atom: 1242 107N-HB3 B 1.965 ambi=2 { CB:40.589 } atom: 482 41M-HA A 5.218 ambi=1 { CA:54.745 } ::sumAvg: 3.505 atom: 483 41M-HB2 B 2.095 ambi=2 { CB:37.139 } atom: 495 42D-HA A 4.484 ambi=1 { CA:55.944 } :: atom: 484 41M-HB3 B 1.85 ambi=2 { CB:37.139 } atom: 495 42D-HA A 4.484 ambi=1 { CA:55.944 } ::sumAvg: 4.54 atom: 495 42D-HA A 4.484 ambi=1 { CA:55.944 } atom: 483 41M-HB2 B 2.095 ambi=2 { CB:37.139 } :: atom: 495 42D-HA A 4.484 ambi=1 { CA:55.944 } atom: 484 41M-HB3 B 1.85 ambi=2 { CB:37.139 } ::sumAvg: 4.54 atom: 483 41M-HB2 B 2.095 ambi=2 { CB:37.139 } atom: 496 42D-HB2 B 3.03 ambi=2 { CB:39.808 } :: atom: 483 41M-HB2 B 2.095 ambi=2 { CB:37.139 } atom: 497 42D-HB3 B 2.688 ambi=2 { CB:39.808 } :: atom: 484 41M-HB3 B 1.85 ambi=2 { CB:37.139 } atom: 496 42D-HB2 B 3.03 ambi=2 { CB:39.808 } :: atom: 484 41M-HB3 B 1.85 ambi=2 { CB:37.139 } atom: 497 42D-HB3 B 2.688 ambi=2 { CB:39.808 } ::sumAvg: 4.285 atom: 483 41M-HB2 B 2.095 ambi=2 { CB:37.139 } atom: 1220 105N-HA A 5.115 ambi=1 { CA:51.8 } :: atom: 484 41M-HB3 B 1.85 ambi=2 { CB:37.139 } atom: 1220 105N-HA A 5.115 ambi=1 { CA:51.8 } ::sumAvg: 4.68 atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } atom: 483 41M-HB2 B 2.095 ambi=2 { CB:37.139 } :: atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } atom: 483 41M-HB2 B 2.095 ambi=2 { CB:37.139 } :: atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } atom: 484 41M-HB3 B 1.85 ambi=2 { CB:37.139 } :: atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } atom: 484 41M-HB3 B 1.85 ambi=2 { CB:37.139 } ::sumAvg: 4.02 atom: 483 41M-HB2 B 2.095 ambi=2 { CB:37.139 } atom: 1233 106D-HB2 B 3.102 ambi=2 { CB:38.257 } :: atom: 483 41M-HB2 B 2.095 ambi=2 { CB:37.139 } atom: 1234 106D-HB3 B 2.889 ambi=2 { CB:38.257 } :: atom: 484 41M-HB3 B 1.85 ambi=2 { CB:37.139 } atom: 1233 106D-HB2 B 3.102 ambi=2 { CB:38.257 } :: atom: 484 41M-HB3 B 1.85 ambi=2 { CB:37.139 } atom: 1234 106D-HB3 B 2.889 ambi=2 { CB:38.257 } ::sumAvg: 3.21 atom: 483 41M-HB2 B 2.095 ambi=2 { CB:37.139 } atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } :: atom: 483 41M-HB2 B 2.095 ambi=2 { CB:37.139 } atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } :: atom: 484 41M-HB3 B 1.85 ambi=2 { CB:37.139 } atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } :: atom: 484 41M-HB3 B 1.85 ambi=2 { CB:37.139 } atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } ::sumAvg: 4.805 atom: 485 41M-HG2 G 2.484 ambi=2 { CG:31.526 } atom: 1220 105N-HA A 5.115 ambi=1 { CA:51.8 } :: atom: 486 41M-HG3 G 2.428 ambi=2 { CG:31.526 } atom: 1220 105N-HA A 5.115 ambi=1 { CA:51.8 } ::sumAvg: 3.08 atom: 485 41M-HG2 G 2.484 ambi=2 { CG:31.526 } atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } :: atom: 485 41M-HG2 G 2.484 ambi=2 { CG:31.526 } atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } :: atom: 486 41M-HG3 G 2.428 ambi=2 { CG:31.526 } atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } :: atom: 486 41M-HG3 G 2.428 ambi=2 { CG:31.526 } atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } ::sumAvg: 3.945 atom: 485 41M-HG2 G 2.484 ambi=2 { CG:31.526 } atom: 1233 106D-HB2 B 3.102 ambi=2 { CB:38.257 } :: atom: 485 41M-HG2 G 2.484 ambi=2 { CG:31.526 } atom: 1234 106D-HB3 B 2.889 ambi=2 { CB:38.257 } :: atom: 486 41M-HG3 G 2.428 ambi=2 { CG:31.526 } atom: 1233 106D-HB2 B 3.102 ambi=2 { CB:38.257 } :: atom: 486 41M-HG3 G 2.428 ambi=2 { CG:31.526 } atom: 1234 106D-HB3 B 2.889 ambi=2 { CB:38.257 } ::sumAvg: 4.38 atom: 1233 106D-HB2 B 3.102 ambi=2 { CB:38.257 } atom: 485 41M-HG2 G 2.484 ambi=2 { CG:31.526 } :: atom: 1234 106D-HB3 B 2.889 ambi=2 { CB:38.257 } atom: 485 41M-HG2 G 2.484 ambi=2 { CG:31.526 } :: atom: 1233 106D-HB2 B 3.102 ambi=2 { CB:38.257 } atom: 486 41M-HG3 G 2.428 ambi=2 { CG:31.526 } :: atom: 1234 106D-HB3 B 2.889 ambi=2 { CB:38.257 } atom: 486 41M-HG3 G 2.428 ambi=2 { CG:31.526 } ::sumAvg: 4.38 atom: 485 41M-HG2 G 2.484 ambi=2 { CG:31.526 } atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } :: atom: 485 41M-HG2 G 2.484 ambi=2 { CG:31.526 } atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } :: atom: 486 41M-HG3 G 2.428 ambi=2 { CG:31.526 } atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } :: atom: 486 41M-HG3 G 2.428 ambi=2 { CG:31.526 } atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } ::sumAvg: 3.82 atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } atom: 487 41M-HE E 2.056 ambi=1 { CE:17.19 } :: atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } atom: 487 41M-HE E 2.056 ambi=1 { CE:17.19 } ::sumAvg: 3.125 atom: 487 41M-HE E 2.056 ambi=1 { CE:17.19 } atom: 1231 106D-H N 7.812 ambi=1 { N:111.755 } ::sumAvg: 4.715 atom: 487 41M-HE E 2.056 ambi=1 { CE:17.19 } atom: 1233 106D-HB2 B 3.102 ambi=2 { CB:38.257 } :: atom: 487 41M-HE E 2.056 ambi=1 { CE:17.19 } atom: 1234 106D-HB3 B 2.889 ambi=2 { CB:38.257 } ::sumAvg: 3.84 atom: 506 43K-HG2 G 1.627 ambi=2 { CG:24.793 } atom: 494 42D-H N 6.933 ambi=1 { N:113.91 } :: atom: 507 43K-HG3 G 1.332 ambi=2 { CG:24.793 } atom: 494 42D-H N 6.933 ambi=1 { N:113.91 } ::sumAvg: 4.555 atom: 1241 107N-HB2 B 2.462 ambi=2 { CB:40.589 } atom: 494 42D-H N 6.933 ambi=1 { N:113.91 } :: atom: 1242 107N-HB3 B 1.965 ambi=2 { CB:40.589 } atom: 494 42D-H N 6.933 ambi=1 { N:113.91 } ::sumAvg: 3.43 atom: 1240 107N-HA A 5.311 ambi=1 { CA:52.925 } atom: 495 42D-HA A 4.484 ambi=1 { CA:55.944 } ::sumAvg: 2.81 atom: 1241 107N-HB2 B 2.462 ambi=2 { CB:40.589 } atom: 495 42D-HA A 4.484 ambi=1 { CA:55.944 } :: atom: 1242 107N-HB3 B 1.965 ambi=2 { CB:40.589 } atom: 495 42D-HA A 4.484 ambi=1 { CA:55.944 } ::sumAvg: 4.42 atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } atom: 496 42D-HB2 B 3.03 ambi=2 { CB:39.808 } :: atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } atom: 497 42D-HB3 B 2.688 ambi=2 { CB:39.808 } ::sumAvg: 4.76 atom: 497 42D-HB3 B 2.688 ambi=2 { CB:39.808 } atom: 510 43K-HE2 E 3.199 ambi=2 { CE:42.547 } ::sumAvg: 4.865 atom: 510 43K-HE2 E 3.199 ambi=2 { CE:42.547 } atom: 497 42D-HB3 B 2.688 ambi=2 { CB:39.808 } ::sumAvg: 4.865 atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } atom: 502 43K-H N 9.345 ambi=1 { N:117.863 } ::sumAvg: 2.97 atom: 1241 107N-HB2 B 2.462 ambi=2 { CB:40.589 } atom: 502 43K-H N 9.345 ambi=1 { N:117.863 } :: atom: 1242 107N-HB3 B 1.965 ambi=2 { CB:40.589 } atom: 502 43K-H N 9.345 ambi=1 { N:117.863 } ::sumAvg: 2.75 atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } atom: 504 43K-HB2 B 1.77 ambi=2 { CB:34.597 } :: atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } atom: 505 43K-HB3 B 1.661 ambi=2 { CB:34.597 } ::sumAvg: 2.46 atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } atom: 506 43K-HG2 G 1.627 ambi=2 { CG:24.793 } :: atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } atom: 507 43K-HG3 G 1.332 ambi=2 { CG:24.793 } ::sumAvg: 3.04 atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } atom: 508 43K-HD2 D 1.812 ambi=2 { CD:28.24 } :: atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } atom: 509 43K-HD3 D 1.732 ambi=2 { CD:28.24 } ::sumAvg: 2.195 atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } atom: 510 43K-HE2 E 3.199 ambi=2 { CE:42.547 } :: atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } atom: 511 43K-HE3 E 3.072 ambi=2 { CE:42.547 } ::sumAvg: 4.47 atom: 510 43K-HE2 E 3.199 ambi=2 { CE:42.547 } atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } :: atom: 511 43K-HE3 E 3.072 ambi=2 { CE:42.547 } atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } ::sumAvg: 4.47 atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } atom: 519 44N-H N 8.518 ambi=1 { N:119.441 } ::sumAvg: 2.295 atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } atom: 521 44N-QB B 2.699 ambi=2 { CB:39.273 } ::sumAvg: 4.565 atom: 521 44N-QB B 2.699 ambi=2 { CB:39.273 } atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } ::sumAvg: 4.565 atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } :: atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } ::sumAvg: 4.835 atom: 503 43K-HA A 4.879 ambi=1 { CA:53.88 } atom: 1250 108T-H N 8.774 ambi=1 { N:119.254 } ::sumAvg: 4.955 atom: 504 43K-HB2 B 1.77 ambi=2 { CB:34.597 } atom: 520 44N-HA A 5.278 ambi=1 { CA:52.947 } :: atom: 505 43K-HB3 B 1.661 ambi=2 { CB:34.597 } atom: 520 44N-HA A 5.278 ambi=1 { CA:52.947 } ::sumAvg: 4.7 atom: 504 43K-HB2 B 1.77 ambi=2 { CB:34.597 } atom: 521 44N-QB B 2.699 ambi=2 { CB:39.273 } :: atom: 505 43K-HB3 B 1.661 ambi=2 { CB:34.597 } atom: 521 44N-QB B 2.699 ambi=2 { CB:39.273 } ::sumAvg: 4.705 atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 504 43K-HB2 B 1.77 ambi=2 { CB:34.597 } :: atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 505 43K-HB3 B 1.661 ambi=2 { CB:34.597 } ::sumAvg: 4.95 atom: 504 43K-HB2 B 1.77 ambi=2 { CB:34.597 } atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } :: atom: 505 43K-HB3 B 1.661 ambi=2 { CB:34.597 } atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } ::sumAvg: 4.385 atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } atom: 504 43K-HB2 B 1.77 ambi=2 { CB:34.597 } :: atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } atom: 505 43K-HB3 B 1.661 ambi=2 { CB:34.597 } ::sumAvg: 4.385 atom: 504 43K-HB2 B 1.77 ambi=2 { CB:34.597 } atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } :: atom: 505 43K-HB3 B 1.661 ambi=2 { CB:34.597 } atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } ::sumAvg: 3.365 atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 504 43K-HB2 B 1.77 ambi=2 { CB:34.597 } :: atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 505 43K-HB3 B 1.661 ambi=2 { CB:34.597 } ::sumAvg: 3.365 atom: 836 69E-HG2 G 2.521 ambi=2 { CG:37.242 } atom: 504 43K-HB2 B 1.77 ambi=2 { CB:34.597 } :: atom: 837 69E-HG3 G 2.349 ambi=2 { CG:37.242 } atom: 504 43K-HB2 B 1.77 ambi=2 { CB:34.597 } :: atom: 836 69E-HG2 G 2.521 ambi=2 { CG:37.242 } atom: 505 43K-HB3 B 1.661 ambi=2 { CB:34.597 } :: atom: 837 69E-HG3 G 2.349 ambi=2 { CG:37.242 } atom: 505 43K-HB3 B 1.661 ambi=2 { CB:34.597 } ::sumAvg: 4.85 atom: 504 43K-HB2 B 1.77 ambi=2 { CB:34.597 } atom: 1240 107N-HA A 5.311 ambi=1 { CA:52.925 } :: atom: 505 43K-HB3 B 1.661 ambi=2 { CB:34.597 } atom: 1240 107N-HA A 5.311 ambi=1 { CA:52.925 } ::sumAvg: 4.935 atom: 1241 107N-HB2 B 2.462 ambi=2 { CB:40.589 } atom: 504 43K-HB2 B 1.77 ambi=2 { CB:34.597 } :: atom: 1241 107N-HB2 B 2.462 ambi=2 { CB:40.589 } atom: 505 43K-HB3 B 1.661 ambi=2 { CB:34.597 } ::sumAvg: 3.505 atom: 504 43K-HB2 B 1.77 ambi=2 { CB:34.597 } atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } :: atom: 504 43K-HB2 B 1.77 ambi=2 { CB:34.597 } atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } :: atom: 505 43K-HB3 B 1.661 ambi=2 { CB:34.597 } atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } :: atom: 505 43K-HB3 B 1.661 ambi=2 { CB:34.597 } atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } ::sumAvg: 4.45 atom: 506 43K-HG2 G 1.627 ambi=2 { CG:24.793 } atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } ::sumAvg: 4.97 atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } atom: 506 43K-HG2 G 1.627 ambi=2 { CG:24.793 } ::sumAvg: 4.97 atom: 506 43K-HG2 G 1.627 ambi=2 { CG:24.793 } atom: 537 45I-HD1 D1 0.561 ambi=1 { CD1:14.178 } :: atom: 507 43K-HG3 G 1.332 ambi=2 { CG:24.793 } atom: 537 45I-HD1 D1 0.561 ambi=1 { CD1:14.178 } ::sumAvg: 4.275 atom: 506 43K-HG2 G 1.627 ambi=2 { CG:24.793 } atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } :: atom: 507 43K-HG3 G 1.332 ambi=2 { CG:24.793 } atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } ::sumAvg: 4.485 atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 506 43K-HG2 G 1.627 ambi=2 { CG:24.793 } :: atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 507 43K-HG3 G 1.332 ambi=2 { CG:24.793 } ::sumAvg: 4.485 atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } atom: 506 43K-HG2 G 1.627 ambi=2 { CG:24.793 } :: atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } atom: 506 43K-HG2 G 1.627 ambi=2 { CG:24.793 } :: atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } atom: 507 43K-HG3 G 1.332 ambi=2 { CG:24.793 } :: atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } atom: 507 43K-HG3 G 1.332 ambi=2 { CG:24.793 } ::sumAvg: 4.435 atom: 508 43K-HD2 D 1.812 ambi=2 { CD:28.24 } atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } :: atom: 509 43K-HD3 D 1.732 ambi=2 { CD:28.24 } atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } ::sumAvg: 3.895 atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 508 43K-HD2 D 1.812 ambi=2 { CD:28.24 } :: atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 509 43K-HD3 D 1.732 ambi=2 { CD:28.24 } ::sumAvg: 3.895 atom: 508 43K-HD2 D 1.812 ambi=2 { CD:28.24 } atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } :: atom: 509 43K-HD3 D 1.732 ambi=2 { CD:28.24 } atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } ::sumAvg: 3.935 atom: 508 43K-HD2 D 1.812 ambi=2 { CD:28.24 } atom: 847 70E-HG2 G 2.461 ambi=2 { CG:37.126 } :: atom: 508 43K-HD2 D 1.812 ambi=2 { CD:28.24 } atom: 848 70E-HG3 G 2.307 ambi=2 { CG:37.126 } :: atom: 509 43K-HD3 D 1.732 ambi=2 { CD:28.24 } atom: 847 70E-HG2 G 2.461 ambi=2 { CG:37.126 } :: atom: 509 43K-HD3 D 1.732 ambi=2 { CD:28.24 } atom: 848 70E-HG3 G 2.307 ambi=2 { CG:37.126 } ::sumAvg: 4.63 atom: 847 70E-HG2 G 2.461 ambi=2 { CG:37.126 } atom: 508 43K-HD2 D 1.812 ambi=2 { CD:28.24 } :: atom: 848 70E-HG3 G 2.307 ambi=2 { CG:37.126 } atom: 508 43K-HD2 D 1.812 ambi=2 { CD:28.24 } :: atom: 847 70E-HG2 G 2.461 ambi=2 { CG:37.126 } atom: 509 43K-HD3 D 1.732 ambi=2 { CD:28.24 } :: atom: 848 70E-HG3 G 2.307 ambi=2 { CG:37.126 } atom: 509 43K-HD3 D 1.732 ambi=2 { CD:28.24 } ::sumAvg: 4.63 atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } atom: 510 43K-HE2 E 3.199 ambi=2 { CE:42.547 } :: atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } atom: 511 43K-HE3 E 3.072 ambi=2 { CE:42.547 } ::sumAvg: 4.59 atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } atom: 519 44N-H N 8.518 ambi=1 { N:119.441 } :: atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } atom: 519 44N-H N 8.518 ambi=1 { N:119.441 } ::sumAvg: 4.18 atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } atom: 519 44N-H N 8.518 ambi=1 { N:119.441 } ::sumAvg: 4.955 atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 519 44N-H N 8.518 ambi=1 { N:119.441 } ::sumAvg: 4.485 atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } atom: 519 44N-H N 8.518 ambi=1 { N:119.441 } ::sumAvg: 4.635 atom: 834 69E-QB B 2.182 ambi=2 { CB:29.541 } atom: 519 44N-H N 8.518 ambi=1 { N:119.441 } ::sumAvg: 4.24 atom: 836 69E-HG2 G 2.521 ambi=2 { CG:37.242 } atom: 519 44N-H N 8.518 ambi=1 { N:119.441 } :: atom: 837 69E-HG3 G 2.349 ambi=2 { CG:37.242 } atom: 519 44N-H N 8.518 ambi=1 { N:119.441 } ::sumAvg: 3.83 atom: 1252 108T-HB B 4.208 ambi=1 { CB:69.966 } atom: 519 44N-H N 8.518 ambi=1 { N:119.441 } ::sumAvg: 4.695 atom: 520 44N-HA A 5.278 ambi=1 { CA:52.947 } atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } ::sumAvg: 4.455 atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 520 44N-HA A 5.278 ambi=1 { CA:52.947 } ::sumAvg: 4.455 atom: 520 44N-HA A 5.278 ambi=1 { CA:52.947 } atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } :: atom: 520 44N-HA A 5.278 ambi=1 { CA:52.947 } atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } ::sumAvg: 3.78 atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } atom: 520 44N-HA A 5.278 ambi=1 { CA:52.947 } :: atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } atom: 520 44N-HA A 5.278 ambi=1 { CA:52.947 } ::sumAvg: 3.78 atom: 520 44N-HA A 5.278 ambi=1 { CA:52.947 } atom: 1251 108T-HA A 4.56 ambi=1 { CA:62.316 } ::sumAvg: 4.8 atom: 1251 108T-HA A 4.56 ambi=1 { CA:62.316 } atom: 520 44N-HA A 5.278 ambi=1 { CA:52.947 } ::sumAvg: 4.8 atom: 520 44N-HA A 5.278 ambi=1 { CA:52.947 } atom: 1253 108T-HG2 G2 1.167 ambi=1 { CG2:21.284 } ::sumAvg: 3.455 atom: 520 44N-HA A 5.278 ambi=1 { CA:52.947 } atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } ::sumAvg: 4.81 atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } atom: 520 44N-HA A 5.278 ambi=1 { CA:52.947 } ::sumAvg: 4.81 atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 521 44N-QB B 2.699 ambi=2 { CB:39.273 } ::sumAvg: 4.34 atom: 521 44N-QB B 2.699 ambi=2 { CB:39.273 } atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } :: atom: 521 44N-QB B 2.699 ambi=2 { CB:39.273 } atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } ::sumAvg: 4.805 atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } atom: 521 44N-QB B 2.699 ambi=2 { CB:39.273 } :: atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } atom: 521 44N-QB B 2.699 ambi=2 { CB:39.273 } ::sumAvg: 4.805 atom: 521 44N-QB B 2.699 ambi=2 { CB:39.273 } atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } ::sumAvg: 4.89 atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } atom: 521 44N-QB B 2.699 ambi=2 { CB:39.273 } ::sumAvg: 4.89 atom: 521 44N-QB B 2.699 ambi=2 { CB:39.273 } atom: 833 69E-HA A 4.109 ambi=1 { CA:59.537 } ::sumAvg: 4.525 atom: 833 69E-HA A 4.109 ambi=1 { CA:59.537 } atom: 521 44N-QB B 2.699 ambi=2 { CB:39.273 } ::sumAvg: 4.525 atom: 521 44N-QB B 2.699 ambi=2 { CB:39.273 } atom: 1252 108T-HB B 4.208 ambi=1 { CB:69.966 } ::sumAvg: 3.575 atom: 521 44N-QB B 2.699 ambi=2 { CB:39.273 } atom: 1253 108T-HG2 G2 1.167 ambi=1 { CG2:21.284 } ::sumAvg: 3.81 atom: 1253 108T-HG2 G2 1.167 ambi=1 { CG2:21.284 } atom: 521 44N-QB B 2.699 ambi=2 { CB:39.273 } ::sumAvg: 3.81 atom: 834 69E-QB B 2.182 ambi=2 { CB:29.541 } atom: 523 44N-HD21 D2 7.682 ambi=1 { ND2:113.784 } ::sumAvg: 3.975 atom: 1252 108T-HB B 4.208 ambi=1 { CB:69.966 } atom: 524 44N-HD22 D2 6.893 ambi=1 { ND2:113.784 } ::sumAvg: 4.845 atom: 1253 108T-HG2 G2 1.167 ambi=1 { CG2:21.284 } atom: 524 44N-HD22 D2 6.893 ambi=1 { ND2:113.784 } ::sumAvg: 4.875 atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 531 45I-H N 9.144 ambi=1 { N:125.323 } ::sumAvg: 2.945 atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } atom: 531 45I-H N 9.144 ambi=1 { N:125.323 } ::sumAvg: 4.81 atom: 1241 107N-HB2 B 2.462 ambi=2 { CB:40.589 } atom: 531 45I-H N 9.144 ambi=1 { N:125.323 } :: atom: 1242 107N-HB3 B 1.965 ambi=2 { CB:40.589 } atom: 531 45I-H N 9.144 ambi=1 { N:125.323 } ::sumAvg: 4.495 atom: 1251 108T-HA A 4.56 ambi=1 { CA:62.316 } atom: 531 45I-H N 9.144 ambi=1 { N:125.323 } ::sumAvg: 4.965 atom: 1253 108T-HG2 G2 1.167 ambi=1 { CG2:21.284 } atom: 531 45I-H N 9.144 ambi=1 { N:125.323 } ::sumAvg: 3.935 atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } atom: 531 45I-H N 9.144 ambi=1 { N:125.323 } ::sumAvg: 3.14 atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 533 45I-HB B 1.659 ambi=1 { CB:40.782 } ::sumAvg: 3.045 atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } :: atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } ::sumAvg: 2.54 atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } ::sumAvg: 2.455 atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 537 45I-HD1 D1 0.561 ambi=1 { CD1:14.178 } ::sumAvg: 3.85 atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 545 46M-H N 9.337 ambi=1 { N:128.492 } ::sumAvg: 2.1 atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } ::sumAvg: 4.425 atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } ::sumAvg: 4.425 atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 547 46M-HB2 B 2.036 ambi=2 { CB:34.66 } :: atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 548 46M-HB3 B 1.94 ambi=2 { CB:34.66 } ::sumAvg: 4.37 atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } ::sumAvg: 4.51 atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 823 68T-H N 9.383 ambi=1 { N:112.406 } ::sumAvg: 4.605 atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } ::sumAvg: 3.43 atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 832 69E-H N 9.336 ambi=1 { N:122.936 } ::sumAvg: 4.035 atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } :: atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } ::sumAvg: 4.285 atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } :: atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } atom: 532 45I-HA A 4.84 ambi=1 { CA:58.728 } ::sumAvg: 4.285 atom: 533 45I-HB B 1.659 ambi=1 { CB:40.782 } atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } ::sumAvg: 4.44 atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } atom: 533 45I-HB B 1.659 ambi=1 { CB:40.782 } ::sumAvg: 4.795 atom: 533 45I-HB B 1.659 ambi=1 { CB:40.782 } atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } :: atom: 533 45I-HB B 1.659 ambi=1 { CB:40.782 } atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } ::sumAvg: 4.165 atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } atom: 533 45I-HB B 1.659 ambi=1 { CB:40.782 } ::sumAvg: 4.305 atom: 533 45I-HB B 1.659 ambi=1 { CB:40.782 } atom: 1241 107N-HB2 B 2.462 ambi=2 { CB:40.589 } ::sumAvg: 4.29 atom: 1241 107N-HB2 B 2.462 ambi=2 { CB:40.589 } atom: 533 45I-HB B 1.659 ambi=1 { CB:40.782 } ::sumAvg: 4.29 atom: 533 45I-HB B 1.659 ambi=1 { CB:40.782 } atom: 1250 108T-H N 8.774 ambi=1 { N:119.254 } ::sumAvg: 4.635 atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } atom: 533 45I-HB B 1.659 ambi=1 { CB:40.782 } ::sumAvg: 3.015 atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } ::sumAvg: 4.685 atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } ::sumAvg: 4.685 atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } :: atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } ::sumAvg: 4.96 atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } :: atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } ::sumAvg: 2.93 atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } :: atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } ::sumAvg: 4.13 atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } atom: 881 74V-HB B 2.411 ambi=1 { CB:33.837 } :: atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } atom: 881 74V-HB B 2.411 ambi=1 { CB:33.837 } ::sumAvg: 4.965 atom: 1185 102L-HD1 D1 0.584 ambi=2 { CD1:26.643 } atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } :: atom: 1186 102L-HD2 D2 0.764 ambi=2 { CD2:22.551 } atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } ::sumAvg: 4.185 atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } atom: 1241 107N-HB2 B 2.462 ambi=2 { CB:40.589 } :: atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } atom: 1242 107N-HB3 B 1.965 ambi=2 { CB:40.589 } :: atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } atom: 1241 107N-HB2 B 2.462 ambi=2 { CB:40.589 } :: atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } atom: 1242 107N-HB3 B 1.965 ambi=2 { CB:40.589 } ::sumAvg: 3.4 atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } :: atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } :: atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } :: atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } ::sumAvg: 4.92 atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } atom: 1250 108T-H N 8.774 ambi=1 { N:119.254 } :: atom: 535 45I-HG13 G1 0.957 ambi=2 { CG1:28.11 } atom: 1250 108T-H N 8.774 ambi=1 { N:119.254 } ::sumAvg: 4.065 atom: 1262 109V-HG1 G1 0.709 ambi=2 { CG1:22.917 } atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } :: atom: 1263 109V-HG2 G2 0.754 ambi=2 { CG2:22.765 } atom: 534 45I-HG12 G1 1.253 ambi=2 { CG1:28.11 } ::sumAvg: 4.595 atom: 547 46M-HB2 B 2.036 ambi=2 { CB:34.66 } atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } :: atom: 548 46M-HB3 B 1.94 ambi=2 { CB:34.66 } atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } ::sumAvg: 4.525 atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } atom: 558 47L-H N 8.972 ambi=1 { N:126.245 } ::sumAvg: 4.2 atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } ::sumAvg: 4.03 atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } ::sumAvg: 4.97 atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } ::sumAvg: 3.245 atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } ::sumAvg: 3.665 atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } ::sumAvg: 3.665 atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } :: atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } ::sumAvg: 4.84 atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } ::sumAvg: 4.97 atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } ::sumAvg: 3.425 atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } ::sumAvg: 3.33 atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } ::sumAvg: 4.34 atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } atom: 881 74V-HB B 2.411 ambi=1 { CB:33.837 } ::sumAvg: 4.66 atom: 881 74V-HB B 2.411 ambi=1 { CB:33.837 } atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } ::sumAvg: 4.66 atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } atom: 890 75G-H N 6.771 ambi=1 { N:105.759 } ::sumAvg: 4.725 atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } ::sumAvg: 4.405 atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } ::sumAvg: 4.755 atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } ::sumAvg: 4.755 atom: 536 45I-HG2 G2 0.66 ambi=1 { CG2:19.044 } atom: 1270 110R-H N 8.999 ambi=1 { N:127.83 } ::sumAvg: 4.215 atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } atom: 537 45I-HD1 D1 0.561 ambi=1 { CD1:14.178 } ::sumAvg: 4.515 atom: 537 45I-HD1 D1 0.561 ambi=1 { CD1:14.178 } atom: 1181 102L-HA A 4.256 ambi=1 { CA:57.522 } ::sumAvg: 4.17 atom: 537 45I-HD1 D1 0.561 ambi=1 { CD1:14.178 } atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } ::sumAvg: 4.27 atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } atom: 537 45I-HD1 D1 0.561 ambi=1 { CD1:14.178 } :: atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } atom: 537 45I-HD1 D1 0.561 ambi=1 { CD1:14.178 } ::sumAvg: 4.7 atom: 537 45I-HD1 D1 0.561 ambi=1 { CD1:14.178 } atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } ::sumAvg: 4.645 atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } atom: 537 45I-HD1 D1 0.561 ambi=1 { CD1:14.178 } ::sumAvg: 4.645 atom: 563 47L-HD1 D1 0.658 ambi=2 { CD1:25.448 } atom: 545 46M-H N 9.337 ambi=1 { N:128.492 } :: atom: 564 47L-HD2 D2 0.578 ambi=2 { CD2:24.166 } atom: 545 46M-H N 9.337 ambi=1 { N:128.492 } ::sumAvg: 4.395 atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } atom: 545 46M-H N 9.337 ambi=1 { N:128.492 } ::sumAvg: 4.7 atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } atom: 545 46M-H N 9.337 ambi=1 { N:128.492 } ::sumAvg: 4.71 atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } :: atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } ::sumAvg: 4.57 atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } :: atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } ::sumAvg: 4.57 atom: 562 47L-HG G 1.698 ambi=1 { CG:27.016 } atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } ::sumAvg: 3.78 atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } ::sumAvg: 4.885 atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } ::sumAvg: 4.885 atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } ::sumAvg: 4.97 atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } ::sumAvg: 4.61 atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } ::sumAvg: 4.61 atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } ::sumAvg: 4.985 atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } ::sumAvg: 4.985 atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } atom: 1272 110R-HB2 B 1.838 ambi=2 { CB:33.651 } :: atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } atom: 1273 110R-HB3 B 1.753 ambi=2 { CB:33.651 } ::sumAvg: 2.905 atom: 1272 110R-HB2 B 1.838 ambi=2 { CB:33.651 } atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } :: atom: 1273 110R-HB3 B 1.753 ambi=2 { CB:33.651 } atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } ::sumAvg: 2.905 atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } atom: 1276 110R-QD D 3.181 ambi=2 { CD:43.442 } ::sumAvg: 4.675 atom: 1276 110R-QD D 3.181 ambi=2 { CD:43.442 } atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } ::sumAvg: 4.675 atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } ::sumAvg: 4.74 atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } atom: 546 46M-HA A 5.305 ambi=1 { CA:52.943 } ::sumAvg: 4.74 atom: 547 46M-HB2 B 2.036 ambi=2 { CB:34.66 } atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } :: atom: 548 46M-HB3 B 1.94 ambi=2 { CB:34.66 } atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } ::sumAvg: 3.845 atom: 547 46M-HB2 B 2.036 ambi=2 { CB:34.66 } atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } :: atom: 547 46M-HB2 B 2.036 ambi=2 { CB:34.66 } atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } :: atom: 548 46M-HB3 B 1.94 ambi=2 { CB:34.66 } atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } :: atom: 548 46M-HB3 B 1.94 ambi=2 { CB:34.66 } atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } ::sumAvg: 4.49 atom: 547 46M-HB2 B 2.036 ambi=2 { CB:34.66 } atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } :: atom: 548 46M-HB3 B 1.94 ambi=2 { CB:34.66 } atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } ::sumAvg: 4.33 atom: 549 46M-HG2 G 2.544 ambi=2 { CG:31.977 } atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } :: atom: 550 46M-HG3 G 2.117 ambi=2 { CG:31.977 } atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } ::sumAvg: 4.28 atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 549 46M-HG2 G 2.544 ambi=2 { CG:31.977 } :: atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 550 46M-HG3 G 2.117 ambi=2 { CG:31.977 } ::sumAvg: 4.28 atom: 549 46M-HG2 G 2.544 ambi=2 { CG:31.977 } atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } :: atom: 549 46M-HG2 G 2.544 ambi=2 { CG:31.977 } atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } :: atom: 550 46M-HG3 G 2.117 ambi=2 { CG:31.977 } atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } ::sumAvg: 4.835 atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } atom: 549 46M-HG2 G 2.544 ambi=2 { CG:31.977 } :: atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } atom: 549 46M-HG2 G 2.544 ambi=2 { CG:31.977 } :: atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } atom: 550 46M-HG3 G 2.117 ambi=2 { CG:31.977 } ::sumAvg: 4.835 atom: 549 46M-HG2 G 2.544 ambi=2 { CG:31.977 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } :: atom: 550 46M-HG3 G 2.117 ambi=2 { CG:31.977 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } ::sumAvg: 4.455 atom: 549 46M-HG2 G 2.544 ambi=2 { CG:31.977 } atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } :: atom: 550 46M-HG3 G 2.117 ambi=2 { CG:31.977 } atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } ::sumAvg: 4.435 atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } atom: 549 46M-HG2 G 2.544 ambi=2 { CG:31.977 } :: atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } atom: 550 46M-HG3 G 2.117 ambi=2 { CG:31.977 } ::sumAvg: 4.435 atom: 1272 110R-HB2 B 1.838 ambi=2 { CB:33.651 } atom: 549 46M-HG2 G 2.544 ambi=2 { CG:31.977 } :: atom: 1273 110R-HB3 B 1.753 ambi=2 { CB:33.651 } atom: 549 46M-HG2 G 2.544 ambi=2 { CG:31.977 } ::sumAvg: 4.965 atom: 549 46M-HG2 G 2.544 ambi=2 { CG:31.977 } atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } :: atom: 550 46M-HG3 G 2.117 ambi=2 { CG:31.977 } atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } ::sumAvg: 4.785 atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } atom: 549 46M-HG2 G 2.544 ambi=2 { CG:31.977 } :: atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } atom: 550 46M-HG3 G 2.117 ambi=2 { CG:31.977 } ::sumAvg: 4.59 atom: 551 46M-HE E 1.956 ambi=1 { CE:16.53 } atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } ::sumAvg: 3.525 atom: 551 46M-HE E 1.956 ambi=1 { CE:16.53 } atom: 578 48K-HD2 D 1.379 ambi=2 { CD:29.84 } :: atom: 551 46M-HE E 1.956 ambi=1 { CE:16.53 } atom: 579 48K-HD3 D 1.181 ambi=2 { CD:29.84 } ::sumAvg: 4.65 atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } atom: 551 46M-HE E 1.956 ambi=1 { CE:16.53 } ::sumAvg: 4.945 atom: 551 46M-HE E 1.956 ambi=1 { CE:16.53 } atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } ::sumAvg: 4.37 atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } atom: 551 46M-HE E 1.956 ambi=1 { CE:16.53 } ::sumAvg: 4.37 atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 551 46M-HE E 1.956 ambi=1 { CE:16.53 } ::sumAvg: 3.54 atom: 551 46M-HE E 1.956 ambi=1 { CE:16.53 } atom: 1349 116Q-HE21 E2 7.383 ambi=1 { NE2:112.311 } ::sumAvg: 4.8 atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 558 47L-H N 8.972 ambi=1 { N:126.245 } ::sumAvg: 2.93 atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } atom: 558 47L-H N 8.972 ambi=1 { N:126.245 } ::sumAvg: 4.34 atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } atom: 558 47L-H N 8.972 ambi=1 { N:126.245 } ::sumAvg: 4.775 atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 558 47L-H N 8.972 ambi=1 { N:126.245 } ::sumAvg: 4.7 atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } :: atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } ::sumAvg: 2.495 atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 562 47L-HG G 1.698 ambi=1 { CG:27.016 } ::sumAvg: 3.255 atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 563 47L-HD1 D1 0.658 ambi=2 { CD1:25.448 } :: atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 564 47L-HD2 D2 0.578 ambi=2 { CD2:24.166 } ::sumAvg: 2.04 atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } :: atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } ::sumAvg: 4.505 atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } :: atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } ::sumAvg: 4.505 atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } ::sumAvg: 3.935 atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } ::sumAvg: 3.935 atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 779 64L-HG G 1.884 ambi=1 { CG:26.197 } ::sumAvg: 4.56 atom: 779 64L-HG G 1.884 ambi=1 { CG:26.197 } atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } ::sumAvg: 4.56 atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } :: atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } ::sumAvg: 3.42 atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } ::sumAvg: 4.835 atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } ::sumAvg: 4.9 atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } ::sumAvg: 3.415 atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } ::sumAvg: 3.615 atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } ::sumAvg: 4.525 atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } :: atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } ::sumAvg: 4.19 atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } :: atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } ::sumAvg: 4.19 atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } ::sumAvg: 4.92 atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } ::sumAvg: 4.92 atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } :: atom: 559 47L-HA A 5.002 ambi=1 { CA:54.462 } atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } ::sumAvg: 4.615 atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } ::sumAvg: 4.89 atom: 779 64L-HG G 1.884 ambi=1 { CG:26.197 } atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } ::sumAvg: 3.825 atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } :: atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } ::sumAvg: 4.495 atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } ::sumAvg: 4.365 atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } ::sumAvg: 4.365 atom: 913 77I-HD1 D1 0.704 ambi=1 { CD1:14.625 } atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } :: atom: 913 77I-HD1 D1 0.704 ambi=1 { CD1:14.625 } atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } ::sumAvg: 4.85 atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } :: atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } :: atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } ::sumAvg: 4.475 atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } :: atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } :: atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } ::sumAvg: 4.475 atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } :: atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 3.825 atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } :: atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } ::sumAvg: 3.825 atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } :: atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } ::sumAvg: 4.765 atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } :: atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } ::sumAvg: 4.765 atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } :: atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } ::sumAvg: 4.91 atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } :: atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } ::sumAvg: 2.94 atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } :: atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } ::sumAvg: 2.94 atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } :: atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } ::sumAvg: 4.235 atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 560 47L-HB2 B 1.881 ambi=2 { CB:41.758 } :: atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 561 47L-HB3 B 1.132 ambi=2 { CB:41.758 } ::sumAvg: 4.235 atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } atom: 562 47L-HG G 1.698 ambi=1 { CG:27.016 } ::sumAvg: 4.73 atom: 562 47L-HG G 1.698 ambi=1 { CG:27.016 } atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } ::sumAvg: 4.23 atom: 562 47L-HG G 1.698 ambi=1 { CG:27.016 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 4.765 atom: 1158 99I-HG13 G1 0.585 ambi=2 { CG1:30.317 } atom: 562 47L-HG G 1.698 ambi=1 { CG:27.016 } ::sumAvg: 4.725 atom: 562 47L-HG G 1.698 ambi=1 { CG:27.016 } atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } ::sumAvg: 4.65 atom: 562 47L-HG G 1.698 ambi=1 { CG:27.016 } atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } ::sumAvg: 4.45 atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } atom: 562 47L-HG G 1.698 ambi=1 { CG:27.016 } ::sumAvg: 4.45 atom: 562 47L-HG G 1.698 ambi=1 { CG:27.016 } atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } ::sumAvg: 3.405 atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } atom: 562 47L-HG G 1.698 ambi=1 { CG:27.016 } ::sumAvg: 3.405 atom: 563 47L-HD1 D1 0.658 ambi=2 { CD1:25.448 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } :: atom: 564 47L-HD2 D2 0.578 ambi=2 { CD2:24.166 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } ::sumAvg: 3.815 atom: 563 47L-HD1 D1 0.658 ambi=2 { CD1:25.448 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } :: atom: 564 47L-HD2 D2 0.578 ambi=2 { CD2:24.166 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } ::sumAvg: 3.815 atom: 563 47L-HD1 D1 0.658 ambi=2 { CD1:25.448 } atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } :: atom: 564 47L-HD2 D2 0.578 ambi=2 { CD2:24.166 } atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } ::sumAvg: 3.68 atom: 563 47L-HD1 D1 0.658 ambi=2 { CD1:25.448 } atom: 1157 99I-HG12 G1 1.752 ambi=2 { CG1:30.317 } :: atom: 564 47L-HD2 D2 0.578 ambi=2 { CD2:24.166 } atom: 1157 99I-HG12 G1 1.752 ambi=2 { CG1:30.317 } ::sumAvg: 2.865 atom: 563 47L-HD1 D1 0.658 ambi=2 { CD1:25.448 } atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } :: atom: 564 47L-HD2 D2 0.578 ambi=2 { CD2:24.166 } atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } ::sumAvg: 4.635 atom: 563 47L-HD1 D1 0.658 ambi=2 { CD1:25.448 } atom: 1261 109V-HB B 1.947 ambi=1 { CB:32.985 } :: atom: 564 47L-HD2 D2 0.578 ambi=2 { CD2:24.166 } atom: 1261 109V-HB B 1.947 ambi=1 { CB:32.985 } ::sumAvg: 3.75 atom: 1261 109V-HB B 1.947 ambi=1 { CB:32.985 } atom: 563 47L-HD1 D1 0.658 ambi=2 { CD1:25.448 } :: atom: 1261 109V-HB B 1.947 ambi=1 { CB:32.985 } atom: 564 47L-HD2 D2 0.578 ambi=2 { CD2:24.166 } ::sumAvg: 3.75 atom: 563 47L-HD1 D1 0.658 ambi=2 { CD1:25.448 } atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } :: atom: 564 47L-HD2 D2 0.578 ambi=2 { CD2:24.166 } atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } ::sumAvg: 4.845 atom: 563 47L-HD1 D1 0.658 ambi=2 { CD1:25.448 } atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } :: atom: 564 47L-HD2 D2 0.578 ambi=2 { CD2:24.166 } atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } ::sumAvg: 4.57 atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } atom: 563 47L-HD1 D1 0.658 ambi=2 { CD1:25.448 } :: atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } atom: 564 47L-HD2 D2 0.578 ambi=2 { CD2:24.166 } ::sumAvg: 4.57 atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } ::sumAvg: 2.965 atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } ::sumAvg: 3.035 atom: 578 48K-HD2 D 1.379 ambi=2 { CD:29.84 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } :: atom: 579 48K-HD3 D 1.181 ambi=2 { CD:29.84 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } ::sumAvg: 4.985 atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } ::sumAvg: 4.955 atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } ::sumAvg: 4.575 atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } ::sumAvg: 4.84 atom: 779 64L-HG G 1.884 ambi=1 { CG:26.197 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } ::sumAvg: 3.81 atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } :: atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } ::sumAvg: 3.525 atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } ::sumAvg: 3.47 atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } ::sumAvg: 4.605 atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } ::sumAvg: 4.625 atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } :: atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } atom: 572 48K-H N 8.908 ambi=1 { N:120.726 } ::sumAvg: 4.22 atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } :: atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } ::sumAvg: 2.51 atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } ::sumAvg: 2.585 atom: 578 48K-HD2 D 1.379 ambi=2 { CD:29.84 } atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } :: atom: 579 48K-HD3 D 1.181 ambi=2 { CD:29.84 } atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } ::sumAvg: 3.455 atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } atom: 580 48K-HE2 E 2.558 ambi=2 { CE:41.767 } :: atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } atom: 581 48K-HE3 E 2.36 ambi=2 { CE:41.767 } ::sumAvg: 4.75 atom: 580 48K-HE2 E 2.558 ambi=2 { CE:41.767 } atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } :: atom: 581 48K-HE3 E 2.36 ambi=2 { CE:41.767 } atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } ::sumAvg: 4.75 atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } ::sumAvg: 4.515 atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } ::sumAvg: 4.515 atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } ::sumAvg: 3.815 atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } ::sumAvg: 3.815 atom: 779 64L-HG G 1.884 ambi=1 { CG:26.197 } atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } ::sumAvg: 4.395 atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } :: atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } ::sumAvg: 4.82 atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } ::sumAvg: 4.995 atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } ::sumAvg: 4.055 atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } ::sumAvg: 4.75 atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } ::sumAvg: 4.75 atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } ::sumAvg: 2.41 atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } ::sumAvg: 2.41 atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } atom: 1333 115L-HG G 1.629 ambi=1 { CG:27.486 } ::sumAvg: 4.405 atom: 1333 115L-HG G 1.629 ambi=1 { CG:27.486 } atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } ::sumAvg: 4.405 atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } :: atom: 573 48K-HA A 4.975 ambi=1 { CA:55.22 } atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } ::sumAvg: 3.14 atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } atom: 580 48K-HE2 E 2.558 ambi=2 { CE:41.767 } :: atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } atom: 581 48K-HE3 E 2.36 ambi=2 { CE:41.767 } :: atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } atom: 580 48K-HE2 E 2.558 ambi=2 { CE:41.767 } :: atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } atom: 581 48K-HE3 E 2.36 ambi=2 { CE:41.767 } ::sumAvg: 3.23 atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } :: atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } ::sumAvg: 2.815 atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } :: atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } ::sumAvg: 4.41 atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } :: atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } ::sumAvg: 4.41 atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } ::sumAvg: 4.745 atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } :: atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } ::sumAvg: 4.005 atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } :: atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } ::sumAvg: 3.4 atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } atom: 813 67F-HZ Z 6.967 ambi=1 { CZ:128.1 } :: atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } atom: 813 67F-HZ Z 6.967 ambi=1 { CZ:128.1 } ::sumAvg: 3.925 atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } :: atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } ::sumAvg: 4.18 atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 574 48K-HB2 B 1.933 ambi=2 { CB:37.723 } :: atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 575 48K-HB3 B 1.79 ambi=2 { CB:37.723 } ::sumAvg: 4.18 atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } ::sumAvg: 4.185 atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } ::sumAvg: 4.8 atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } ::sumAvg: 3.805 atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } ::sumAvg: 3.345 atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } atom: 813 67F-HZ Z 6.967 ambi=1 { CZ:128.1 } ::sumAvg: 4.47 atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } ::sumAvg: 4.8 atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } ::sumAvg: 4.44 atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } ::sumAvg: 4.44 atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } ::sumAvg: 2.94 atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } ::sumAvg: 2.94 atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } :: atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } ::sumAvg: 4.66 atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } :: atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } atom: 576 48K-QG G 1.382 ambi=2 { CG:26.285 } ::sumAvg: 4.66 atom: 578 48K-HD2 D 1.379 ambi=2 { CD:29.84 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } :: atom: 579 48K-HD3 D 1.181 ambi=2 { CD:29.84 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } ::sumAvg: 4.99 atom: 578 48K-HD2 D 1.379 ambi=2 { CD:29.84 } atom: 813 67F-HZ Z 6.967 ambi=1 { CZ:128.1 } :: atom: 579 48K-HD3 D 1.181 ambi=2 { CD:29.84 } atom: 813 67F-HZ Z 6.967 ambi=1 { CZ:128.1 } ::sumAvg: 4.4 atom: 578 48K-HD2 D 1.379 ambi=2 { CD:29.84 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } :: atom: 579 48K-HD3 D 1.181 ambi=2 { CD:29.84 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } ::sumAvg: 3.97 atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 578 48K-HD2 D 1.379 ambi=2 { CD:29.84 } :: atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 579 48K-HD3 D 1.181 ambi=2 { CD:29.84 } ::sumAvg: 3.97 atom: 580 48K-HE2 E 2.558 ambi=2 { CE:41.767 } atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } :: atom: 581 48K-HE3 E 2.36 ambi=2 { CE:41.767 } atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } ::sumAvg: 4.27 atom: 580 48K-HE2 E 2.558 ambi=2 { CE:41.767 } atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } :: atom: 581 48K-HE3 E 2.36 ambi=2 { CE:41.767 } atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } ::sumAvg: 3.365 atom: 580 48K-HE2 E 2.558 ambi=2 { CE:41.767 } atom: 813 67F-HZ Z 6.967 ambi=1 { CZ:128.1 } :: atom: 581 48K-HE3 E 2.36 ambi=2 { CE:41.767 } atom: 813 67F-HZ Z 6.967 ambi=1 { CZ:128.1 } ::sumAvg: 3.71 atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } ::sumAvg: 4.885 atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } ::sumAvg: 4.62 atom: 779 64L-HG G 1.884 ambi=1 { CG:26.197 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } ::sumAvg: 4.415 atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } :: atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } ::sumAvg: 4.9 atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } ::sumAvg: 3.7 atom: 1333 115L-HG G 1.629 ambi=1 { CG:27.486 } atom: 589 49A-H N 10.647 ambi=1 { N:123.571 } ::sumAvg: 4.03 atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } :: atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } ::sumAvg: 4.67 atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } :: atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } ::sumAvg: 4.67 atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } ::sumAvg: 4.41 atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } :: atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } ::sumAvg: 3.775 atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } :: atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } ::sumAvg: 3.775 atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } ::sumAvg: 4.71 atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } ::sumAvg: 4.745 atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } :: atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } ::sumAvg: 3.755 atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } :: atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } ::sumAvg: 3.755 atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } atom: 779 64L-HG G 1.884 ambi=1 { CG:26.197 } ::sumAvg: 3.495 atom: 779 64L-HG G 1.884 ambi=1 { CG:26.197 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } ::sumAvg: 3.495 atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } :: atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } ::sumAvg: 4.42 atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } :: atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } atom: 590 49A-HA A 5.551 ambi=1 { CA:51.549 } ::sumAvg: 4.245 atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } ::sumAvg: 4.04 atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } ::sumAvg: 4.04 atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } :: atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } ::sumAvg: 4.875 atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } ::sumAvg: 4.83 atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } :: atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } ::sumAvg: 3.685 atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } ::sumAvg: 3.685 atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } ::sumAvg: 3.005 atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } :: atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } ::sumAvg: 3.88 atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } ::sumAvg: 4.715 atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } ::sumAvg: 4.715 atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } ::sumAvg: 4.905 atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } ::sumAvg: 4.03 atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } ::sumAvg: 4.315 atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } ::sumAvg: 4.03 atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } ::sumAvg: 4.31 atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } ::sumAvg: 4.31 atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } ::sumAvg: 4.83 atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } :: atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } ::sumAvg: 4.845 atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } :: atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } atom: 591 49A-HB B 1.449 ambi=1 { CB:25.421 } ::sumAvg: 4.845 atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } ::sumAvg: 4.63 atom: 763 63L-HB2 B 1.782 ambi=2 { CB:46.424 } atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } :: atom: 764 63L-HB3 B 1.521 ambi=2 { CB:46.424 } atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } ::sumAvg: 4.16 atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } :: atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } atom: 596 50N-H N 8.668 ambi=1 { N:117.674 } ::sumAvg: 4.57 atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } atom: 600 50N-HD21 D2 7.862 ambi=1 { ND2:110.553 } :: atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } atom: 601 50N-HD22 D2 6.511 ambi=1 { ND2:110.553 } ::sumAvg: 4.225 atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } ::sumAvg: 4.505 atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } ::sumAvg: 4.505 atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } :: atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } ::sumAvg: 4.52 atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } ::sumAvg: 4.52 atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } ::sumAvg: 4.24 atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } :: atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } ::sumAvg: 4.66 atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } atom: 749 62I-HB B 1.76 ambi=1 { CB:37.804 } ::sumAvg: 4.65 atom: 749 62I-HB B 1.76 ambi=1 { CB:37.804 } atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } ::sumAvg: 4.65 atom: 753 62I-HD1 D1 0.887 ambi=1 { CD1:12.828 } atom: 597 50N-HA A 5.851 ambi=1 { CA:50.808 } ::sumAvg: 4.16 atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } :: atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } ::sumAvg: 4.385 atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } :: atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } ::sumAvg: 4.385 atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } :: atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } ::sumAvg: 4.935 atom: 749 62I-HB B 1.76 ambi=1 { CB:37.804 } atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } :: atom: 749 62I-HB B 1.76 ambi=1 { CB:37.804 } atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } ::sumAvg: 2.875 atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } :: atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } atom: 751 62I-HG13 G1 1.315 ambi=2 { CG1:28.64 } :: atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } :: atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } atom: 751 62I-HG13 G1 1.315 ambi=2 { CG1:28.64 } ::sumAvg: 4.96 atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } :: atom: 751 62I-HG13 G1 1.315 ambi=2 { CG1:28.64 } atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } :: atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } :: atom: 751 62I-HG13 G1 1.315 ambi=2 { CG1:28.64 } atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } ::sumAvg: 4.96 atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } atom: 752 62I-HG2 G2 0.987 ambi=1 { CG2:17.17 } :: atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } atom: 752 62I-HG2 G2 0.987 ambi=1 { CG2:17.17 } ::sumAvg: 3.38 atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } :: atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } ::sumAvg: 3.475 atom: 763 63L-HB2 B 1.782 ambi=2 { CB:46.424 } atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } :: atom: 764 63L-HB3 B 1.521 ambi=2 { CB:46.424 } atom: 598 50N-HB2 B 2.842 ambi=2 { CB:38.246 } :: atom: 763 63L-HB2 B 1.782 ambi=2 { CB:46.424 } atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } :: atom: 764 63L-HB3 B 1.521 ambi=2 { CB:46.424 } atom: 599 50N-HB3 B 2.583 ambi=2 { CB:38.246 } ::sumAvg: 3.82 atom: 749 62I-HB B 1.76 ambi=1 { CB:37.804 } atom: 600 50N-HD21 D2 7.862 ambi=1 { ND2:110.553 } ::sumAvg: 4.86 atom: 753 62I-HD1 D1 0.887 ambi=1 { CD1:12.828 } atom: 600 50N-HD21 D2 7.862 ambi=1 { ND2:110.553 } ::sumAvg: 4.325 atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } ::sumAvg: 3.545 atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } :: atom: 751 62I-HG13 G1 1.315 ambi=2 { CG1:28.64 } atom: 608 51F-H N 9.045 ambi=1 { N:120.377 } ::sumAvg: 4.475 atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } ::sumAvg: 4.81 atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } :: atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } ::sumAvg: 4.81 atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } ::sumAvg: 4.89 atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } ::sumAvg: 4.89 atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } ::sumAvg: 3.02 atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } ::sumAvg: 3.02 atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } :: atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } ::sumAvg: 3.615 atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } atom: 748 62I-HA A 4.189 ambi=1 { CA:63.501 } ::sumAvg: 4.545 atom: 748 62I-HA A 4.189 ambi=1 { CA:63.501 } atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } ::sumAvg: 4.545 atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } atom: 749 62I-HB B 1.76 ambi=1 { CB:37.804 } ::sumAvg: 3.24 atom: 749 62I-HB B 1.76 ambi=1 { CB:37.804 } atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } ::sumAvg: 3.24 atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } atom: 752 62I-HG2 G2 0.987 ambi=1 { CG2:17.17 } ::sumAvg: 4.55 atom: 609 51F-HA A 5.348 ambi=1 { CA:56.317 } atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } ::sumAvg: 4.405 atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } ::sumAvg: 4.38 atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } :: atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } ::sumAvg: 4.935 atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } ::sumAvg: 4.535 atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } :: atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } ::sumAvg: 4.535 atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } ::sumAvg: 4.635 atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } :: atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } ::sumAvg: 4.635 atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 703 58L-HG G 1.599 ambi=1 { CG:27.879 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 703 58L-HG G 1.599 ambi=1 { CG:27.879 } ::sumAvg: 2.665 atom: 703 58L-HG G 1.599 ambi=1 { CG:27.879 } atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } :: atom: 703 58L-HG G 1.599 ambi=1 { CG:27.879 } atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } ::sumAvg: 2.665 atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } ::sumAvg: 2.825 atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } ::sumAvg: 4.405 atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 724 60T-H N 7.416 ambi=1 { N:112.339 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 724 60T-H N 7.416 ambi=1 { N:112.339 } ::sumAvg: 3.77 atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } ::sumAvg: 4.59 atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } ::sumAvg: 2.085 atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } :: atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } :: atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } :: atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } ::sumAvg: 3.575 atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } ::sumAvg: 4.335 atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } :: atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } ::sumAvg: 4.335 atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 747 62I-H N 8.652 ambi=1 { N:127.608 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 747 62I-H N 8.652 ambi=1 { N:127.608 } ::sumAvg: 2.775 atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } :: atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 751 62I-HG13 G1 1.315 ambi=2 { CG1:28.64 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 751 62I-HG13 G1 1.315 ambi=2 { CG1:28.64 } ::sumAvg: 4.17 atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } :: atom: 751 62I-HG13 G1 1.315 ambi=2 { CG1:28.64 } atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } :: atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } :: atom: 751 62I-HG13 G1 1.315 ambi=2 { CG1:28.64 } atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } ::sumAvg: 4.17 atom: 753 62I-HD1 D1 0.887 ambi=1 { CD1:12.828 } atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } :: atom: 753 62I-HD1 D1 0.887 ambi=1 { CD1:12.828 } atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } ::sumAvg: 4.575 atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } :: atom: 610 51F-HB2 B 3.328 ambi=2 { CB:40.286 } atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } :: atom: 611 51F-HB3 B 3.315 ambi=2 { CB:40.286 } atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } ::sumAvg: 4.46 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } ::sumAvg: 3.925 atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } :: atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } ::sumAvg: 3.955 atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } ::sumAvg: 4.06 atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } :: atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } ::sumAvg: 4.955 atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 612 51F-QD D 6.8 ambi=3 { CD1:133.015 } ::sumAvg: 4.735 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } ::sumAvg: 4.505 atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } ::sumAvg: 3.6 atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } :: atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } ::sumAvg: 3.685 atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } :: atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } ::sumAvg: 3.36 atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } :: atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } ::sumAvg: 4.435 atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } ::sumAvg: 3.95 atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } atom: 614 51F-QE E 6.885 ambi=3 { CE1:130.74 } ::sumAvg: 4.63 atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } :: atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } ::sumAvg: 4.99 atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } :: atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } ::sumAvg: 4 atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } ::sumAvg: 4.17 atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } ::sumAvg: 3.86 atom: 1333 115L-HG G 1.629 ambi=1 { CG:27.486 } atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } ::sumAvg: 4.32 atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 616 51F-HZ Z 7.054 ambi=1 { CZ:128.78 } ::sumAvg: 3.245 atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } :: atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } ::sumAvg: 2.72 atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } ::sumAvg: 4.53 atom: 703 58L-HG G 1.599 ambi=1 { CG:27.879 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } ::sumAvg: 4.04 atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } :: atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } ::sumAvg: 3.975 atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } :: atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } ::sumAvg: 4 atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } ::sumAvg: 4.915 atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } ::sumAvg: 4.55 atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } ::sumAvg: 3.83 atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } :: atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } ::sumAvg: 4.965 atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } :: atom: 751 62I-HG13 G1 1.315 ambi=2 { CG1:28.64 } atom: 626 52S-H N 9.63 ambi=1 { N:115.555 } ::sumAvg: 3.695 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } ::sumAvg: 4.52 atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } ::sumAvg: 4.535 atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } ::sumAvg: 4.845 atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } :: atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } ::sumAvg: 4.53 atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } :: atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } ::sumAvg: 4.53 atom: 627 52S-HA A 5.345 ambi=1 { CA:56.306 } atom: 724 60T-H N 7.416 ambi=1 { N:112.339 } ::sumAvg: 4.77 atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } :: atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } ::sumAvg: 4.77 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } :: atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } ::sumAvg: 4.77 atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } :: atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } ::sumAvg: 4.835 atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } :: atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } ::sumAvg: 4.835 atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } :: atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } ::sumAvg: 4.64 atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } :: atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } :: atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } :: atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } ::sumAvg: 2.945 atom: 717 59E-HG2 G 2.249 ambi=2 { CG:35.456 } atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } :: atom: 718 59E-HG3 G 2.173 ambi=2 { CG:35.456 } atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } :: atom: 717 59E-HG2 G 2.249 ambi=2 { CG:35.456 } atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } :: atom: 718 59E-HG3 G 2.173 ambi=2 { CG:35.456 } atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } ::sumAvg: 4.715 atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } atom: 724 60T-H N 7.416 ambi=1 { N:112.339 } :: atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } atom: 724 60T-H N 7.416 ambi=1 { N:112.339 } ::sumAvg: 3.535 atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } :: atom: 628 52S-HB2 B 3.866 ambi=2 { CB:66.191 } atom: 751 62I-HG13 G1 1.315 ambi=2 { CG1:28.64 } :: atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } :: atom: 629 52S-HB3 B 3.69 ambi=2 { CB:66.191 } atom: 751 62I-HG13 G1 1.315 ambi=2 { CG1:28.64 } ::sumAvg: 4.52 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 634 53V-H N 8.67 ambi=1 { N:119.131 } ::sumAvg: 2.965 atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } atom: 634 53V-H N 8.67 ambi=1 { N:119.131 } :: atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } atom: 634 53V-H N 8.67 ambi=1 { N:119.131 } ::sumAvg: 4.035 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } ::sumAvg: 3.03 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } ::sumAvg: 2.34 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 645 54I-H N 8.661 ambi=1 { N:123.454 } ::sumAvg: 2.16 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 646 54I-HA A 4.256 ambi=1 { CA:60.076 } ::sumAvg: 4.435 atom: 646 54I-HA A 4.256 ambi=1 { CA:60.076 } atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } ::sumAvg: 4.435 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 647 54I-HB B 1.524 ambi=1 { CB:40.965 } ::sumAvg: 4.62 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 650 54I-HG2 G2 0.733 ambi=1 { CG2:16.838 } ::sumAvg: 3.905 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 685 57R-H N 8.191 ambi=1 { N:117.052 } ::sumAvg: 4.18 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } ::sumAvg: 4.77 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } ::sumAvg: 2.69 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 703 58L-HG G 1.599 ambi=1 { CG:27.879 } ::sumAvg: 4.625 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } ::sumAvg: 4.84 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } ::sumAvg: 2.43 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } :: atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } ::sumAvg: 3.255 atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } :: atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } ::sumAvg: 3.255 atom: 635 53V-HA A 4.834 ambi=1 { CA:60.369 } atom: 724 60T-H N 7.416 ambi=1 { N:112.339 } ::sumAvg: 4.775 atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } atom: 646 54I-HA A 4.256 ambi=1 { CA:60.076 } ::sumAvg: 4.61 atom: 646 54I-HA A 4.256 ambi=1 { CA:60.076 } atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } ::sumAvg: 4.61 atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } ::sumAvg: 4.67 atom: 636 53V-HB B 1.404 ambi=1 { CB:36.156 } atom: 1380 118F-HZ Z 7.079 ambi=1 { CZ:128.778 } ::sumAvg: 4.855 atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 647 54I-HB B 1.524 ambi=1 { CB:40.965 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 647 54I-HB B 1.524 ambi=1 { CB:40.965 } ::sumAvg: 4.68 atom: 647 54I-HB B 1.524 ambi=1 { CB:40.965 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 647 54I-HB B 1.524 ambi=1 { CB:40.965 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } ::sumAvg: 4.68 atom: 650 54I-HG2 G2 0.733 ambi=1 { CG2:16.838 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 650 54I-HG2 G2 0.733 ambi=1 { CG2:16.838 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } ::sumAvg: 4.115 atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 659 55F-H N 8.856 ambi=1 { N:124.453 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 659 55F-H N 8.856 ambi=1 { N:124.453 } ::sumAvg: 4.095 atom: 678 56D-HA A 4.53 ambi=1 { CA:54.988 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 678 56D-HA A 4.53 ambi=1 { CA:54.988 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } ::sumAvg: 2.77 atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 679 56D-HB2 B 2.956 ambi=2 { CB:40.549 } :: atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 680 56D-HB3 B 2.858 ambi=2 { CB:40.549 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 679 56D-HB2 B 2.956 ambi=2 { CB:40.549 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 680 56D-HB3 B 2.858 ambi=2 { CB:40.549 } ::sumAvg: 4.6 atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } ::sumAvg: 3.41 atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } :: atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } ::sumAvg: 4.865 atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } :: atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } ::sumAvg: 4.865 atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 689 57R-HG2 G 1.886 ambi=2 { CG:26.218 } :: atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 690 57R-HG3 G 1.837 ambi=2 { CG:26.218 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 689 57R-HG2 G 1.886 ambi=2 { CG:26.218 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 690 57R-HG3 G 1.837 ambi=2 { CG:26.218 } ::sumAvg: 4.445 atom: 689 57R-HG2 G 1.886 ambi=2 { CG:26.218 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 690 57R-HG3 G 1.837 ambi=2 { CG:26.218 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 689 57R-HG2 G 1.886 ambi=2 { CG:26.218 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } :: atom: 690 57R-HG3 G 1.837 ambi=2 { CG:26.218 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } ::sumAvg: 4.445 atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } ::sumAvg: 4.19 atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } :: atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } ::sumAvg: 3.98 atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } ::sumAvg: 3.585 atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } :: atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } ::sumAvg: 4.735 atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } :: atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } ::sumAvg: 4.935 atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } :: atom: 637 53V-HG1 G1 0.304 ambi=2 { CG1:21.709 } atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } :: atom: 638 53V-HG2 G2 0.232 ambi=2 { CG2:20.86 } atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } ::sumAvg: 3.64 atom: 714 59E-HA A 4.557 ambi=1 { CA:57.407 } atom: 645 54I-H N 8.661 ambi=1 { N:123.454 } ::sumAvg: 4.32 atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } atom: 645 54I-H N 8.661 ambi=1 { N:123.454 } :: atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } atom: 645 54I-H N 8.661 ambi=1 { N:123.454 } ::sumAvg: 2.855 atom: 717 59E-HG2 G 2.249 ambi=2 { CG:35.456 } atom: 645 54I-H N 8.661 ambi=1 { N:123.454 } :: atom: 718 59E-HG3 G 2.173 ambi=2 { CG:35.456 } atom: 645 54I-H N 8.661 ambi=1 { N:123.454 } ::sumAvg: 4.77 atom: 646 54I-HA A 4.256 ambi=1 { CA:60.076 } atom: 661 55F-HB2 B 3.377 ambi=2 { CB:36.653 } :: atom: 646 54I-HA A 4.256 ambi=1 { CA:60.076 } atom: 662 55F-HB3 B 3.197 ambi=2 { CB:36.653 } ::sumAvg: 4.9 atom: 646 54I-HA A 4.256 ambi=1 { CA:60.076 } atom: 663 55F-QD D 7.263 ambi=3 { CD1:131.937 } ::sumAvg: 4.77 atom: 646 54I-HA A 4.256 ambi=1 { CA:60.076 } atom: 685 57R-H N 8.191 ambi=1 { N:117.052 } ::sumAvg: 4.445 atom: 646 54I-HA A 4.256 ambi=1 { CA:60.076 } atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } :: atom: 646 54I-HA A 4.256 ambi=1 { CA:60.076 } atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } ::sumAvg: 4.625 atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } atom: 646 54I-HA A 4.256 ambi=1 { CA:60.076 } :: atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } atom: 646 54I-HA A 4.256 ambi=1 { CA:60.076 } ::sumAvg: 4.625 atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } atom: 647 54I-HB B 1.524 ambi=1 { CB:40.965 } ::sumAvg: 2.995 atom: 717 59E-HG2 G 2.249 ambi=2 { CG:35.456 } atom: 647 54I-HB B 1.524 ambi=1 { CB:40.965 } :: atom: 718 59E-HG3 G 2.173 ambi=2 { CG:35.456 } atom: 647 54I-HB B 1.524 ambi=1 { CB:40.965 } ::sumAvg: 3.9 atom: 660 55F-HA A 4.264 ambi=1 { CA:59.345 } atom: 648 54I-HG12 G1 1.164 ambi=2 { CG1:27.69 } :: atom: 660 55F-HA A 4.264 ambi=1 { CA:59.345 } atom: 649 54I-HG13 G1 0.709 ambi=2 { CG1:27.69 } ::sumAvg: 4.04 atom: 648 54I-HG12 G1 1.164 ambi=2 { CG1:27.69 } atom: 661 55F-HB2 B 3.377 ambi=2 { CB:36.653 } :: atom: 648 54I-HG12 G1 1.164 ambi=2 { CG1:27.69 } atom: 662 55F-HB3 B 3.197 ambi=2 { CB:36.653 } :: atom: 649 54I-HG13 G1 0.709 ambi=2 { CG1:27.69 } atom: 661 55F-HB2 B 3.377 ambi=2 { CB:36.653 } :: atom: 649 54I-HG13 G1 0.709 ambi=2 { CG1:27.69 } atom: 662 55F-HB3 B 3.197 ambi=2 { CB:36.653 } ::sumAvg: 3.955 atom: 648 54I-HG12 G1 1.164 ambi=2 { CG1:27.69 } atom: 665 55F-QE E 7.384 ambi=3 { CE1:131.7 } :: atom: 649 54I-HG13 G1 0.709 ambi=2 { CG1:27.69 } atom: 665 55F-QE E 7.384 ambi=3 { CE1:131.7 } ::sumAvg: 3.1 atom: 648 54I-HG12 G1 1.164 ambi=2 { CG1:27.69 } atom: 717 59E-HG2 G 2.249 ambi=2 { CG:35.456 } :: atom: 648 54I-HG12 G1 1.164 ambi=2 { CG1:27.69 } atom: 718 59E-HG3 G 2.173 ambi=2 { CG:35.456 } :: atom: 649 54I-HG13 G1 0.709 ambi=2 { CG1:27.69 } atom: 717 59E-HG2 G 2.249 ambi=2 { CG:35.456 } :: atom: 649 54I-HG13 G1 0.709 ambi=2 { CG1:27.69 } atom: 718 59E-HG3 G 2.173 ambi=2 { CG:35.456 } ::sumAvg: 4.98 atom: 660 55F-HA A 4.264 ambi=1 { CA:59.345 } atom: 650 54I-HG2 G2 0.733 ambi=1 { CG2:16.838 } ::sumAvg: 4.705 atom: 650 54I-HG2 G2 0.733 ambi=1 { CG2:16.838 } atom: 685 57R-H N 8.191 ambi=1 { N:117.052 } ::sumAvg: 4.08 atom: 691 57R-HD2 D 3.328 ambi=2 { CD:43.825 } atom: 650 54I-HG2 G2 0.733 ambi=1 { CG2:16.838 } :: atom: 692 57R-HD3 D 3.309 ambi=2 { CD:43.825 } atom: 650 54I-HG2 G2 0.733 ambi=1 { CG2:16.838 } ::sumAvg: 4.34 atom: 650 54I-HG2 G2 0.733 ambi=1 { CG2:16.838 } atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } ::sumAvg: 4.105 atom: 714 59E-HA A 4.557 ambi=1 { CA:57.407 } atom: 650 54I-HG2 G2 0.733 ambi=1 { CG2:16.838 } ::sumAvg: 3.01 atom: 660 55F-HA A 4.264 ambi=1 { CA:59.345 } atom: 651 54I-HD1 D1 0.71 ambi=1 { CD1:13.526 } ::sumAvg: 4.75 atom: 660 55F-HA A 4.264 ambi=1 { CA:59.345 } atom: 665 55F-QE E 7.384 ambi=3 { CE1:131.7 } ::sumAvg: 4.475 atom: 660 55F-HA A 4.264 ambi=1 { CA:59.345 } atom: 679 56D-HB2 B 2.956 ambi=2 { CB:40.549 } :: atom: 660 55F-HA A 4.264 ambi=1 { CA:59.345 } atom: 680 56D-HB3 B 2.858 ambi=2 { CB:40.549 } ::sumAvg: 4.3 atom: 679 56D-HB2 B 2.956 ambi=2 { CB:40.549 } atom: 660 55F-HA A 4.264 ambi=1 { CA:59.345 } :: atom: 680 56D-HB3 B 2.858 ambi=2 { CB:40.549 } atom: 660 55F-HA A 4.264 ambi=1 { CA:59.345 } ::sumAvg: 4.3 atom: 660 55F-HA A 4.264 ambi=1 { CA:59.345 } atom: 685 57R-H N 8.191 ambi=1 { N:117.052 } ::sumAvg: 4.685 atom: 661 55F-HB2 B 3.377 ambi=2 { CB:36.653 } atom: 665 55F-QE E 7.384 ambi=3 { CE1:131.7 } :: atom: 662 55F-HB3 B 3.197 ambi=2 { CB:36.653 } atom: 665 55F-QE E 7.384 ambi=3 { CE1:131.7 } ::sumAvg: 4.37 atom: 661 55F-HB2 B 3.377 ambi=2 { CB:36.653 } atom: 679 56D-HB2 B 2.956 ambi=2 { CB:40.549 } :: atom: 661 55F-HB2 B 3.377 ambi=2 { CB:36.653 } atom: 680 56D-HB3 B 2.858 ambi=2 { CB:40.549 } ::sumAvg: 4.61 atom: 679 56D-HB2 B 2.956 ambi=2 { CB:40.549 } atom: 661 55F-HB2 B 3.377 ambi=2 { CB:36.653 } :: atom: 680 56D-HB3 B 2.858 ambi=2 { CB:40.549 } atom: 661 55F-HB2 B 3.377 ambi=2 { CB:36.653 } ::sumAvg: 4.61 atom: 661 55F-HB2 B 3.377 ambi=2 { CB:36.653 } atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } :: atom: 661 55F-HB2 B 3.377 ambi=2 { CB:36.653 } atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } :: atom: 662 55F-HB3 B 3.197 ambi=2 { CB:36.653 } atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } :: atom: 662 55F-HB3 B 3.197 ambi=2 { CB:36.653 } atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } ::sumAvg: 4.7 atom: 661 55F-HB2 B 3.377 ambi=2 { CB:36.653 } atom: 689 57R-HG2 G 1.886 ambi=2 { CG:26.218 } :: atom: 661 55F-HB2 B 3.377 ambi=2 { CB:36.653 } atom: 690 57R-HG3 G 1.837 ambi=2 { CG:26.218 } :: atom: 662 55F-HB3 B 3.197 ambi=2 { CB:36.653 } atom: 689 57R-HG2 G 1.886 ambi=2 { CG:26.218 } :: atom: 662 55F-HB3 B 3.197 ambi=2 { CB:36.653 } atom: 690 57R-HG3 G 1.837 ambi=2 { CG:26.218 } ::sumAvg: 2.51 atom: 689 57R-HG2 G 1.886 ambi=2 { CG:26.218 } atom: 663 55F-QD D 7.263 ambi=3 { CD1:131.937 } :: atom: 690 57R-HG3 G 1.837 ambi=2 { CG:26.218 } atom: 663 55F-QD D 7.263 ambi=3 { CD1:131.937 } ::sumAvg: 3.755 atom: 691 57R-HD2 D 3.328 ambi=2 { CD:43.825 } atom: 663 55F-QD D 7.263 ambi=3 { CD1:131.937 } :: atom: 692 57R-HD3 D 3.309 ambi=2 { CD:43.825 } atom: 663 55F-QD D 7.263 ambi=3 { CD1:131.937 } ::sumAvg: 4.945 atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } atom: 677 56D-H N 8.634 ambi=1 { N:114.814 } ::sumAvg: 4.915 atom: 678 56D-HA A 4.53 ambi=1 { CA:54.988 } atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } ::sumAvg: 4.435 atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } atom: 678 56D-HA A 4.53 ambi=1 { CA:54.988 } ::sumAvg: 4.435 atom: 678 56D-HA A 4.53 ambi=1 { CA:54.988 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } ::sumAvg: 4.13 atom: 678 56D-HA A 4.53 ambi=1 { CA:54.988 } atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } ::sumAvg: 3.005 atom: 679 56D-HB2 B 2.956 ambi=2 { CB:40.549 } atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } :: atom: 680 56D-HB3 B 2.858 ambi=2 { CB:40.549 } atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } ::sumAvg: 4.955 atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } atom: 679 56D-HB2 B 2.956 ambi=2 { CB:40.549 } :: atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } atom: 680 56D-HB3 B 2.858 ambi=2 { CB:40.549 } ::sumAvg: 4.955 atom: 679 56D-HB2 B 2.956 ambi=2 { CB:40.549 } atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } :: atom: 679 56D-HB2 B 2.956 ambi=2 { CB:40.549 } atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } :: atom: 680 56D-HB3 B 2.858 ambi=2 { CB:40.549 } atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } :: atom: 680 56D-HB3 B 2.858 ambi=2 { CB:40.549 } atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } ::sumAvg: 4.675 atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } atom: 679 56D-HB2 B 2.956 ambi=2 { CB:40.549 } :: atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } atom: 679 56D-HB2 B 2.956 ambi=2 { CB:40.549 } :: atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } atom: 680 56D-HB3 B 2.858 ambi=2 { CB:40.549 } :: atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } atom: 680 56D-HB3 B 2.858 ambi=2 { CB:40.549 } ::sumAvg: 4.675 atom: 691 57R-HD2 D 3.328 ambi=2 { CD:43.825 } atom: 685 57R-H N 8.191 ambi=1 { N:117.052 } :: atom: 692 57R-HD3 D 3.309 ambi=2 { CD:43.825 } atom: 685 57R-H N 8.191 ambi=1 { N:117.052 } ::sumAvg: 4.15 atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } atom: 685 57R-H N 8.191 ambi=1 { N:117.052 } ::sumAvg: 4.99 atom: 691 57R-HD2 D 3.328 ambi=2 { CD:43.825 } atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } :: atom: 692 57R-HD3 D 3.309 ambi=2 { CD:43.825 } atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } ::sumAvg: 4.385 atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } ::sumAvg: 4.305 atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } ::sumAvg: 4.305 atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } :: atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } ::sumAvg: 4.465 atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } :: atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } ::sumAvg: 4.465 atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } ::sumAvg: 2.91 atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } :: atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } ::sumAvg: 3.32 atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } ::sumAvg: 3.32 atom: 686 57R-HA A 5.38 ambi=1 { CA:54.534 } atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } ::sumAvg: 4.19 atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } :: atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } ::sumAvg: 4.845 atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } atom: 1034 88I-HG2 G2 1.086 ambi=1 { CG2:16.815 } :: atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } atom: 1034 88I-HG2 G2 1.086 ambi=1 { CG2:16.815 } ::sumAvg: 4.1 atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } :: atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } ::sumAvg: 4.54 atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } :: atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } ::sumAvg: 4.455 atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } :: atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } ::sumAvg: 4.29 atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } atom: 1391 119A-HA A 4.669 ambi=1 { CA:53.548 } :: atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } atom: 1391 119A-HA A 4.669 ambi=1 { CA:53.548 } ::sumAvg: 4.75 atom: 1391 119A-HA A 4.669 ambi=1 { CA:53.548 } atom: 687 57R-HB2 B 2.002 ambi=2 { CB:34.361 } :: atom: 1391 119A-HA A 4.669 ambi=1 { CA:53.548 } atom: 688 57R-HB3 B 1.945 ambi=2 { CB:34.361 } ::sumAvg: 4.75 atom: 689 57R-HG2 G 1.886 ambi=2 { CG:26.218 } atom: 1034 88I-HG2 G2 1.086 ambi=1 { CG2:16.815 } :: atom: 690 57R-HG3 G 1.837 ambi=2 { CG:26.218 } atom: 1034 88I-HG2 G2 1.086 ambi=1 { CG2:16.815 } ::sumAvg: 4.565 atom: 1034 88I-HG2 G2 1.086 ambi=1 { CG2:16.815 } atom: 689 57R-HG2 G 1.886 ambi=2 { CG:26.218 } :: atom: 1034 88I-HG2 G2 1.086 ambi=1 { CG2:16.815 } atom: 690 57R-HG3 G 1.837 ambi=2 { CG:26.218 } ::sumAvg: 4.565 atom: 691 57R-HD2 D 3.328 ambi=2 { CD:43.825 } atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } :: atom: 692 57R-HD3 D 3.309 ambi=2 { CD:43.825 } atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } ::sumAvg: 4.34 atom: 691 57R-HD2 D 3.328 ambi=2 { CD:43.825 } atom: 714 59E-HA A 4.557 ambi=1 { CA:57.407 } :: atom: 692 57R-HD3 D 3.309 ambi=2 { CD:43.825 } atom: 714 59E-HA A 4.557 ambi=1 { CA:57.407 } ::sumAvg: 4.765 atom: 714 59E-HA A 4.557 ambi=1 { CA:57.407 } atom: 691 57R-HD2 D 3.328 ambi=2 { CD:43.825 } :: atom: 714 59E-HA A 4.557 ambi=1 { CA:57.407 } atom: 692 57R-HD3 D 3.309 ambi=2 { CD:43.825 } ::sumAvg: 4.765 atom: 691 57R-HD2 D 3.328 ambi=2 { CD:43.825 } atom: 1031 88I-HB B 2.169 ambi=1 { CB:37.157 } :: atom: 692 57R-HD3 D 3.309 ambi=2 { CD:43.825 } atom: 1031 88I-HB B 2.169 ambi=1 { CB:37.157 } ::sumAvg: 4.28 atom: 1031 88I-HB B 2.169 ambi=1 { CB:37.157 } atom: 691 57R-HD2 D 3.328 ambi=2 { CD:43.825 } :: atom: 1031 88I-HB B 2.169 ambi=1 { CB:37.157 } atom: 692 57R-HD3 D 3.309 ambi=2 { CD:43.825 } ::sumAvg: 4.28 atom: 703 58L-HG G 1.599 ambi=1 { CG:27.879 } atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } ::sumAvg: 4.47 atom: 1031 88I-HB B 2.169 ambi=1 { CB:37.157 } atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } ::sumAvg: 4.57 atom: 1032 88I-HG12 G1 1.505 ambi=2 { CG1:29.799 } atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } :: atom: 1033 88I-HG13 G1 1.282 ambi=2 { CG1:29.799 } atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } ::sumAvg: 3.84 atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } ::sumAvg: 3.9 atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 699 58L-H N 7.976 ambi=1 { N:122.882 } ::sumAvg: 2.645 atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } :: atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } ::sumAvg: 4.5 atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } atom: 724 60T-H N 7.416 ambi=1 { N:112.339 } ::sumAvg: 4.535 atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } atom: 1035 88I-HD1 D1 1.279 ambi=1 { CD1:14.497 } ::sumAvg: 4.055 atom: 1035 88I-HD1 D1 1.279 ambi=1 { CD1:14.497 } atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } ::sumAvg: 4.055 atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } :: atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } ::sumAvg: 3.56 atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } ::sumAvg: 3.56 atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } ::sumAvg: 4.555 atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } ::sumAvg: 4.78 atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } atom: 700 58L-HA A 4.217 ambi=1 { CA:58.312 } ::sumAvg: 4.78 atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } atom: 703 58L-HG G 1.599 ambi=1 { CG:27.879 } ::sumAvg: 2.63 atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } :: atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } ::sumAvg: 4.19 atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } atom: 1030 88I-HA A 3.896 ambi=1 { CA:64.241 } :: atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } atom: 1030 88I-HA A 3.896 ambi=1 { CA:64.241 } ::sumAvg: 3.755 atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } atom: 1031 88I-HB B 2.169 ambi=1 { CB:37.157 } :: atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } atom: 1031 88I-HB B 2.169 ambi=1 { CB:37.157 } ::sumAvg: 3.7 atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } atom: 1064 91V-HB B 2.182 ambi=1 { CB:31.594 } :: atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } atom: 1064 91V-HB B 2.182 ambi=1 { CB:31.594 } ::sumAvg: 4.625 atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } :: atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } ::sumAvg: 4.815 atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } :: atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } ::sumAvg: 4.815 atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } :: atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } :: atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } :: atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } ::sumAvg: 2.335 atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } :: atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } ::sumAvg: 2.335 atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } :: atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } ::sumAvg: 4.34 atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } :: atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } ::sumAvg: 4.41 atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } atom: 1391 119A-HA A 4.669 ambi=1 { CA:53.548 } :: atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } atom: 1391 119A-HA A 4.669 ambi=1 { CA:53.548 } ::sumAvg: 3.665 atom: 1391 119A-HA A 4.669 ambi=1 { CA:53.548 } atom: 701 58L-HB2 B 1.354 ambi=2 { CB:41.814 } :: atom: 1391 119A-HA A 4.669 ambi=1 { CA:53.548 } atom: 702 58L-HB3 B 1.109 ambi=2 { CB:41.814 } ::sumAvg: 3.665 atom: 703 58L-HG G 1.599 ambi=1 { CG:27.879 } atom: 724 60T-H N 7.416 ambi=1 { N:112.339 } ::sumAvg: 4.11 atom: 703 58L-HG G 1.599 ambi=1 { CG:27.879 } atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } ::sumAvg: 4.315 atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } atom: 703 58L-HG G 1.599 ambi=1 { CG:27.879 } ::sumAvg: 4.63 atom: 703 58L-HG G 1.599 ambi=1 { CG:27.879 } atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } :: atom: 703 58L-HG G 1.599 ambi=1 { CG:27.879 } atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } ::sumAvg: 4.52 atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 703 58L-HG G 1.599 ambi=1 { CG:27.879 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 703 58L-HG G 1.599 ambi=1 { CG:27.879 } ::sumAvg: 4.485 atom: 714 59E-HA A 4.557 ambi=1 { CA:57.407 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 714 59E-HA A 4.557 ambi=1 { CA:57.407 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } ::sumAvg: 3.635 atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } :: atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } ::sumAvg: 4.205 atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } ::sumAvg: 3.035 atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 726 60T-HB B 3.988 ambi=1 { CB:72.115 } :: atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } atom: 726 60T-HB B 3.988 ambi=1 { CB:72.115 } ::sumAvg: 4.805 atom: 726 60T-HB B 3.988 ambi=1 { CB:72.115 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 726 60T-HB B 3.988 ambi=1 { CB:72.115 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } ::sumAvg: 4.805 atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } ::sumAvg: 4.29 atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } :: atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } ::sumAvg: 3.02 atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } ::sumAvg: 3.125 atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } :: atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } ::sumAvg: 2.72 atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } :: atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } ::sumAvg: 4.495 atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } ::sumAvg: 4.495 atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} :: atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.875 atom: 1034 88I-HG2 G2 1.086 ambi=1 { CG2:16.815 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 1034 88I-HG2 G2 1.086 ambi=1 { CG2:16.815 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } ::sumAvg: 4.525 atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 1062 91V-H N 7.812 ambi=1 { N:120.703 } :: atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } atom: 1062 91V-H N 7.812 ambi=1 { N:120.703 } ::sumAvg: 4.51 atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } ::sumAvg: 3.715 atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } ::sumAvg: 3.715 atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } :: atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } ::sumAvg: 3.77 atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } :: atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } :: atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } ::sumAvg: 4.945 atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } ::sumAvg: 4.945 atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } ::sumAvg: 2.58 atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } :: atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } :: atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } :: atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } ::sumAvg: 3.455 atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } ::sumAvg: 3.455 atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } :: atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } ::sumAvg: 4.215 atom: 1391 119A-HA A 4.669 ambi=1 { CA:53.548 } atom: 704 58L-HD1 D1 0.007 ambi=2 { CD1:27.096 } :: atom: 1391 119A-HA A 4.669 ambi=1 { CA:53.548 } atom: 705 58L-HD2 D2 0.649 ambi=2 { CD2:25.165 } ::sumAvg: 4.075 atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } :: atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } ::sumAvg: 2.46 atom: 1035 88I-HD1 D1 1.279 ambi=1 { CD1:14.497 } atom: 713 59E-H N 9.476 ambi=1 { N:129.421 } ::sumAvg: 4.955 atom: 1031 88I-HB B 2.169 ambi=1 { CB:37.157 } atom: 714 59E-HA A 4.557 ambi=1 { CA:57.407 } ::sumAvg: 4.355 atom: 714 59E-HA A 4.557 ambi=1 { CA:57.407 } atom: 1035 88I-HD1 D1 1.279 ambi=1 { CD1:14.497 } ::sumAvg: 4.86 atom: 1035 88I-HD1 D1 1.279 ambi=1 { CD1:14.497 } atom: 714 59E-HA A 4.557 ambi=1 { CA:57.407 } ::sumAvg: 4.86 atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } :: atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } ::sumAvg: 4.635 atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } :: atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } ::sumAvg: 4.635 atom: 715 59E-HB2 B 2.131 ambi=2 { CB:30.797 } atom: 726 60T-HB B 3.988 ambi=1 { CB:72.115 } :: atom: 716 59E-HB3 B 1.778 ambi=2 { CB:30.797 } atom: 726 60T-HB B 3.988 ambi=1 { CB:72.115 } ::sumAvg: 3.945 atom: 717 59E-HG2 G 2.249 ambi=2 { CG:35.456 } atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } :: atom: 718 59E-HG3 G 2.173 ambi=2 { CG:35.456 } atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } ::sumAvg: 4.275 atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } atom: 717 59E-HG2 G 2.249 ambi=2 { CG:35.456 } :: atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } atom: 718 59E-HG3 G 2.173 ambi=2 { CG:35.456 } ::sumAvg: 4.275 atom: 717 59E-HG2 G 2.249 ambi=2 { CG:35.456 } atom: 726 60T-HB B 3.988 ambi=1 { CB:72.115 } :: atom: 718 59E-HG3 G 2.173 ambi=2 { CG:35.456 } atom: 726 60T-HB B 3.988 ambi=1 { CB:72.115 } ::sumAvg: 3.815 atom: 717 59E-HG2 G 2.249 ambi=2 { CG:35.456 } atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } :: atom: 718 59E-HG3 G 2.173 ambi=2 { CG:35.456 } atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } ::sumAvg: 4.665 atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 717 59E-HG2 G 2.249 ambi=2 { CG:35.456 } :: atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 718 59E-HG3 G 2.173 ambi=2 { CG:35.456 } ::sumAvg: 4.665 atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } atom: 724 60T-H N 7.416 ambi=1 { N:112.339 } ::sumAvg: 2.95 atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } atom: 724 60T-H N 7.416 ambi=1 { N:112.339 } ::sumAvg: 4.785 atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } atom: 726 60T-HB B 3.988 ambi=1 { CB:72.115 } ::sumAvg: 3.04 atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } ::sumAvg: 2.395 atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } ::sumAvg: 2.225 atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } :: atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } ::sumAvg: 4.505 atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } :: atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } ::sumAvg: 4.505 atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.035 atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } ::sumAvg: 4.385 atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } :: atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } ::sumAvg: 3.92 atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } :: atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } atom: 725 60T-HA A 4.703 ambi=1 { CA:60.375 } ::sumAvg: 3.92 atom: 726 60T-HB B 3.988 ambi=1 { CB:72.115 } atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } ::sumAvg: 4.055 atom: 726 60T-HB B 3.988 ambi=1 { CB:72.115 } atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } :: atom: 726 60T-HB B 3.988 ambi=1 { CB:72.115 } atom: 751 62I-HG13 G1 1.315 ambi=2 { CG1:28.64 } ::sumAvg: 4.69 atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } atom: 726 60T-HB B 3.988 ambi=1 { CB:72.115 } :: atom: 751 62I-HG13 G1 1.315 ambi=2 { CG1:28.64 } atom: 726 60T-HB B 3.988 ambi=1 { CB:72.115 } ::sumAvg: 4.69 atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } ::sumAvg: 2.415 atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } ::sumAvg: 3.89 atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } ::sumAvg: 3.995 atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 747 62I-H N 8.652 ambi=1 { N:127.608 } ::sumAvg: 4.43 atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 748 62I-HA A 4.189 ambi=1 { CA:63.501 } ::sumAvg: 3.835 atom: 748 62I-HA A 4.189 ambi=1 { CA:63.501 } atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } ::sumAvg: 3.835 atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } ::sumAvg: 4.005 atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } ::sumAvg: 4.005 atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 929 79P-HB2 B 2.438 ambi=2 { CB:32.409 } :: atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 930 79P-HB3 B 2.127 ambi=2 { CB:32.409 } ::sumAvg: 4.77 atom: 929 79P-HB2 B 2.438 ambi=2 { CB:32.409 } atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } :: atom: 930 79P-HB3 B 2.127 ambi=2 { CB:32.409 } atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } ::sumAvg: 4.77 atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } :: atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } ::sumAvg: 4.44 atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } :: atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } ::sumAvg: 4.44 atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 1007 86H-H N 7.598 ambi=1 { N:114.515 } ::sumAvg: 4.175 atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } :: atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } ::sumAvg: 4.765 atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } :: atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } ::sumAvg: 4.765 atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.485 atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } ::sumAvg: 4.455 atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } atom: 727 60T-HG2 G2 1.086 ambi=1 { CG2:22.702 } ::sumAvg: 4.455 atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } ::sumAvg: 2.915 atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } ::sumAvg: 4.355 atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } :: atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } ::sumAvg: 4.25 atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } :: atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } atom: 733 61L-H N 12.56 ambi=1 { N:132.65 } ::sumAvg: 3.16 atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } atom: 749 62I-HB B 1.76 ambi=1 { CB:37.804 } ::sumAvg: 4.61 atom: 749 62I-HB B 1.76 ambi=1 { CB:37.804 } atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } ::sumAvg: 4.61 atom: 753 62I-HD1 D1 0.887 ambi=1 { CD1:12.828 } atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } ::sumAvg: 4.91 atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } ::sumAvg: 4.33 atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } :: atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } atom: 734 61L-HA A 4.463 ambi=1 { CA:55.232 } ::sumAvg: 3.97 atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } atom: 747 62I-H N 8.652 ambi=1 { N:127.608 } :: atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } atom: 747 62I-H N 8.652 ambi=1 { N:127.608 } ::sumAvg: 4.09 atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } :: atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } ::sumAvg: 4.905 atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } atom: 929 79P-HB2 B 2.438 ambi=2 { CB:32.409 } :: atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } atom: 929 79P-HB2 B 2.438 ambi=2 { CB:32.409 } :: atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } atom: 930 79P-HB3 B 2.127 ambi=2 { CB:32.409 } ::sumAvg: 4.685 atom: 929 79P-HB2 B 2.438 ambi=2 { CB:32.409 } atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } :: atom: 929 79P-HB2 B 2.438 ambi=2 { CB:32.409 } atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } :: atom: 930 79P-HB3 B 2.127 ambi=2 { CB:32.409 } atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } ::sumAvg: 4.685 atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } :: atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } :: atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } ::sumAvg: 4.315 atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } :: atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } :: atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } ::sumAvg: 4.315 atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } :: atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } :: atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } :: atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } ::sumAvg: 4.515 atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } :: atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } :: atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } :: atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } ::sumAvg: 4.515 atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} :: atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.16 atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } :: atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } ::sumAvg: 3.045 atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } atom: 1063 91V-HA A 3.175 ambi=1 { CA:67.075 } :: atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } atom: 1063 91V-HA A 3.175 ambi=1 { CA:67.075 } ::sumAvg: 4.645 atom: 1063 91V-HA A 3.175 ambi=1 { CA:67.075 } atom: 735 61L-HB2 B 1.868 ambi=2 { CB:44.45 } :: atom: 1063 91V-HA A 3.175 ambi=1 { CA:67.075 } atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } ::sumAvg: 4.645 atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } atom: 1064 91V-HB B 2.182 ambi=1 { CB:31.594 } ::sumAvg: 4.59 atom: 1064 91V-HB B 2.182 ambi=1 { CB:31.594 } atom: 736 61L-HB3 B 1.105 ambi=2 { CB:44.45 } ::sumAvg: 4.59 atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } atom: 748 62I-HA A 4.189 ambi=1 { CA:63.501 } ::sumAvg: 4.305 atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } atom: 749 62I-HB B 1.76 ambi=1 { CB:37.804 } ::sumAvg: 4.905 atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } atom: 762 63L-HA A 4.523 ambi=1 { CA:55.779 } ::sumAvg: 3.41 atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } ::sumAvg: 4.13 atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } ::sumAvg: 4.495 atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } :: atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } ::sumAvg: 4.465 atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } :: atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } ::sumAvg: 3.605 atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } :: atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } ::sumAvg: 3.605 atom: 737 61L-HG G 1.345 ambi=1 { CG:26.97 } atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } ::sumAvg: 4.77 atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } atom: 748 62I-HA A 4.189 ambi=1 { CA:63.501 } :: atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } atom: 748 62I-HA A 4.189 ambi=1 { CA:63.501 } ::sumAvg: 4.705 atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } atom: 749 62I-HB B 1.76 ambi=1 { CB:37.804 } :: atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } atom: 749 62I-HB B 1.76 ambi=1 { CB:37.804 } ::sumAvg: 4.11 atom: 752 62I-HG2 G2 0.987 ambi=1 { CG2:17.17 } atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } ::sumAvg: 4.94 atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } :: atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } ::sumAvg: 3.395 atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } :: atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } ::sumAvg: 3.465 atom: 909 77I-HB B 1.568 ambi=1 { CB:41.16 } atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } :: atom: 909 77I-HB B 1.568 ambi=1 { CB:41.16 } atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } ::sumAvg: 3.11 atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } :: atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } ::sumAvg: 4.405 atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } :: atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } ::sumAvg: 4.405 atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } :: atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } ::sumAvg: 4.79 atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } :: atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } ::sumAvg: 4.79 atom: 929 79P-HB2 B 2.438 ambi=2 { CB:32.409 } atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } :: atom: 930 79P-HB3 B 2.127 ambi=2 { CB:32.409 } atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } :: atom: 929 79P-HB2 B 2.438 ambi=2 { CB:32.409 } atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } :: atom: 930 79P-HB3 B 2.127 ambi=2 { CB:32.409 } atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } ::sumAvg: 4.59 atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } :: atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } :: atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } :: atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } ::sumAvg: 4.135 atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } :: atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } :: atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } :: atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } ::sumAvg: 4.135 atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } :: atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } :: atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } :: atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } ::sumAvg: 3.42 atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } :: atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } :: atom: 739 61L-HD2 D2 0.585 ambi=2 { CD2:26.166 } atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } ::sumAvg: 4.23 atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } ::sumAvg: 3.965 atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } ::sumAvg: 3.965 atom: 738 61L-HD1 D1 0.864 ambi=2 { CD1:23.948 } atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } ::sumAvg: 3.19 atom: 763 63L-HB2 B 1.782 ambi=2 { CB:46.424 } atom: 748 62I-HA A 4.189 ambi=1 { CA:63.501 } :: atom: 764 63L-HB3 B 1.521 ambi=2 { CB:46.424 } atom: 748 62I-HA A 4.189 ambi=1 { CA:63.501 } ::sumAvg: 4.645 atom: 748 62I-HA A 4.189 ambi=1 { CA:63.501 } atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } :: atom: 748 62I-HA A 4.189 ambi=1 { CA:63.501 } atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } ::sumAvg: 3.92 atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } atom: 748 62I-HA A 4.189 ambi=1 { CA:63.501 } :: atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } atom: 748 62I-HA A 4.189 ambi=1 { CA:63.501 } ::sumAvg: 3.92 atom: 748 62I-HA A 4.189 ambi=1 { CA:63.501 } atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } ::sumAvg: 4.88 atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } atom: 748 62I-HA A 4.189 ambi=1 { CA:63.501 } ::sumAvg: 4.88 atom: 751 62I-HG13 G1 1.315 ambi=2 { CG1:28.64 } atom: 749 62I-HB B 1.76 ambi=1 { CB:37.804 } ::sumAvg: 2.495 atom: 749 62I-HB B 1.76 ambi=1 { CB:37.804 } atom: 762 63L-HA A 4.523 ambi=1 { CA:55.779 } ::sumAvg: 4.895 atom: 750 62I-HG12 G1 1.633 ambi=2 { CG1:28.64 } atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } :: atom: 751 62I-HG13 G1 1.315 ambi=2 { CG1:28.64 } atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } ::sumAvg: 4.16 atom: 765 63L-HG G 1.537 ambi=1 { CG:28.163 } atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } ::sumAvg: 4.585 atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } ::sumAvg: 4.695 atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } :: atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } atom: 761 63L-H N 7.715 ambi=1 { N:114.505 } ::sumAvg: 4.83 atom: 762 63L-HA A 4.523 ambi=1 { CA:55.779 } atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } ::sumAvg: 4.495 atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } atom: 762 63L-HA A 4.523 ambi=1 { CA:55.779 } ::sumAvg: 4.495 atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } atom: 762 63L-HA A 4.523 ambi=1 { CA:55.779 } :: atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } atom: 762 63L-HA A 4.523 ambi=1 { CA:55.779 } ::sumAvg: 4.465 atom: 762 63L-HA A 4.523 ambi=1 { CA:55.779 } atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } ::sumAvg: 4.94 atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 762 63L-HA A 4.523 ambi=1 { CA:55.779 } ::sumAvg: 4.94 atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } atom: 762 63L-HA A 4.523 ambi=1 { CA:55.779 } ::sumAvg: 3.41 atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } atom: 762 63L-HA A 4.523 ambi=1 { CA:55.779 } :: atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } atom: 762 63L-HA A 4.523 ambi=1 { CA:55.779 } ::sumAvg: 4.82 atom: 762 63L-HA A 4.523 ambi=1 { CA:55.779 } atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } :: atom: 762 63L-HA A 4.523 ambi=1 { CA:55.779 } atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } ::sumAvg: 3.31 atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } atom: 762 63L-HA A 4.523 ambi=1 { CA:55.779 } :: atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } atom: 762 63L-HA A 4.523 ambi=1 { CA:55.779 } ::sumAvg: 3.31 atom: 763 63L-HB2 B 1.782 ambi=2 { CB:46.424 } atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } :: atom: 764 63L-HB3 B 1.521 ambi=2 { CB:46.424 } atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } ::sumAvg: 4.875 atom: 763 63L-HB2 B 1.782 ambi=2 { CB:46.424 } atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } :: atom: 764 63L-HB3 B 1.521 ambi=2 { CB:46.424 } atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } ::sumAvg: 4.61 atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } atom: 763 63L-HB2 B 1.782 ambi=2 { CB:46.424 } :: atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } atom: 764 63L-HB3 B 1.521 ambi=2 { CB:46.424 } ::sumAvg: 4.61 atom: 763 63L-HB2 B 1.782 ambi=2 { CB:46.424 } atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } :: atom: 763 63L-HB2 B 1.782 ambi=2 { CB:46.424 } atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } :: atom: 764 63L-HB3 B 1.521 ambi=2 { CB:46.424 } atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } :: atom: 764 63L-HB3 B 1.521 ambi=2 { CB:46.424 } atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } ::sumAvg: 4.37 atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } atom: 763 63L-HB2 B 1.782 ambi=2 { CB:46.424 } :: atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } atom: 763 63L-HB2 B 1.782 ambi=2 { CB:46.424 } :: atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } atom: 764 63L-HB3 B 1.521 ambi=2 { CB:46.424 } :: atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } atom: 764 63L-HB3 B 1.521 ambi=2 { CB:46.424 } ::sumAvg: 4.37 atom: 765 63L-HG G 1.537 ambi=1 { CG:28.163 } atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } ::sumAvg: 3.865 atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } atom: 765 63L-HG G 1.537 ambi=1 { CG:28.163 } ::sumAvg: 3.865 atom: 765 63L-HG G 1.537 ambi=1 { CG:28.163 } atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } ::sumAvg: 4.395 atom: 765 63L-HG G 1.537 ambi=1 { CG:28.163 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } ::sumAvg: 4.67 atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 765 63L-HG G 1.537 ambi=1 { CG:28.163 } ::sumAvg: 4.67 atom: 765 63L-HG G 1.537 ambi=1 { CG:28.163 } atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } ::sumAvg: 4.545 atom: 765 63L-HG G 1.537 ambi=1 { CG:28.163 } atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } :: atom: 765 63L-HG G 1.537 ambi=1 { CG:28.163 } atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } ::sumAvg: 3.745 atom: 765 63L-HG G 1.537 ambi=1 { CG:28.163 } atom: 907 77I-H N 9.053 ambi=1 { N:123.552 } ::sumAvg: 4.675 atom: 766 63L-HD1 D1 1.215 ambi=2 { CD1:22.894 } atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } :: atom: 767 63L-HD2 D2 1.011 ambi=2 { CD2:26.163 } atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } ::sumAvg: 4.655 atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } atom: 766 63L-HD1 D1 1.215 ambi=2 { CD1:22.894 } :: atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } atom: 767 63L-HD2 D2 1.011 ambi=2 { CD2:26.163 } ::sumAvg: 4.655 atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } atom: 766 63L-HD1 D1 1.215 ambi=2 { CD1:22.894 } :: atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } atom: 767 63L-HD2 D2 1.011 ambi=2 { CD2:26.163 } :: atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } atom: 767 63L-HD2 D2 1.011 ambi=2 { CD2:26.163 } ::sumAvg: 4.585 atom: 766 63L-HD1 D1 1.215 ambi=2 { CD1:22.894 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } :: atom: 767 63L-HD2 D2 1.011 ambi=2 { CD2:26.163 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } ::sumAvg: 4.82 atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 766 63L-HD1 D1 1.215 ambi=2 { CD1:22.894 } :: atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 767 63L-HD2 D2 1.011 ambi=2 { CD2:26.163 } ::sumAvg: 4.82 atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } atom: 766 63L-HD1 D1 1.215 ambi=2 { CD1:22.894 } :: atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } atom: 767 63L-HD2 D2 1.011 ambi=2 { CD2:26.163 } ::sumAvg: 4.54 atom: 766 63L-HD1 D1 1.215 ambi=2 { CD1:22.894 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } :: atom: 767 63L-HD2 D2 1.011 ambi=2 { CD2:26.163 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } ::sumAvg: 4.825 atom: 766 63L-HD1 D1 1.215 ambi=2 { CD1:22.894 } atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } ::sumAvg: 4.535 atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } ::sumAvg: 2.965 atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } :: atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } ::sumAvg: 2.68 atom: 779 64L-HG G 1.884 ambi=1 { CG:26.197 } atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } ::sumAvg: 4.68 atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } ::sumAvg: 4.84 atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } :: atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } ::sumAvg: 4.345 atom: 909 77I-HB B 1.568 ambi=1 { CB:41.16 } atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } ::sumAvg: 3.46 atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } ::sumAvg: 4.165 atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } ::sumAvg: 3.89 atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } :: atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } atom: 775 64L-H N 8.43 ambi=1 { N:127.476 } ::sumAvg: 4.615 atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } :: atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } ::sumAvg: 2.385 atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } ::sumAvg: 4.465 atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } ::sumAvg: 4.465 atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } atom: 907 77I-H N 9.053 ambi=1 { N:123.552 } ::sumAvg: 4.855 atom: 909 77I-HB B 1.568 ambi=1 { CB:41.16 } atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } ::sumAvg: 4.77 atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } :: atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } atom: 776 64L-HA A 5.458 ambi=1 { CA:54.214 } ::sumAvg: 4.6 atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } :: atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } ::sumAvg: 4.145 atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } :: atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } ::sumAvg: 4.88 atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } :: atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } ::sumAvg: 4.88 atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } atom: 907 77I-H N 9.053 ambi=1 { N:123.552 } :: atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } atom: 907 77I-H N 9.053 ambi=1 { N:123.552 } ::sumAvg: 3.31 atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } :: atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } ::sumAvg: 4.77 atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } :: atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } ::sumAvg: 3.6 atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } :: atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } ::sumAvg: 3.27 atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } :: atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } ::sumAvg: 4.925 atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } :: atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } ::sumAvg: 4.925 atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } :: atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } ::sumAvg: 4.85 atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } :: atom: 777 64L-HB2 B 1.691 ambi=2 { CB:46.59 } atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } :: atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } :: atom: 778 64L-HB3 B 1.603 ambi=2 { CB:46.59 } atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } ::sumAvg: 4.435 atom: 779 64L-HG G 1.884 ambi=1 { CG:26.197 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } ::sumAvg: 4.91 atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 779 64L-HG G 1.884 ambi=1 { CG:26.197 } ::sumAvg: 4.91 atom: 913 77I-HD1 D1 0.704 ambi=1 { CD1:14.625 } atom: 779 64L-HG G 1.884 ambi=1 { CG:26.197 } ::sumAvg: 4.31 atom: 779 64L-HG G 1.884 ambi=1 { CG:26.197 } atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } ::sumAvg: 4.74 atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } atom: 779 64L-HG G 1.884 ambi=1 { CG:26.197 } ::sumAvg: 4.74 atom: 779 64L-HG G 1.884 ambi=1 { CG:26.197 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } ::sumAvg: 4.815 atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } atom: 779 64L-HG G 1.884 ambi=1 { CG:26.197 } ::sumAvg: 4.815 atom: 779 64L-HG G 1.884 ambi=1 { CG:26.197 } atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } :: atom: 779 64L-HG G 1.884 ambi=1 { CG:26.197 } atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } ::sumAvg: 4.505 atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } :: atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } ::sumAvg: 2.945 atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } :: atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } ::sumAvg: 2.945 atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } atom: 791 65R-HB2 B 2.05 ambi=2 {attached_atom is not_assigned} :: atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } atom: 791 65R-HB2 B 2.05 ambi=2 {attached_atom is not_assigned} :: atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } atom: 792 65R-HB3 B 0.986 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.58 atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } :: atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } ::sumAvg: 3.615 atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } :: atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } :: atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } :: atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } ::sumAvg: 4.98 atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } :: atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } :: atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } :: atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } ::sumAvg: 4.98 atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } atom: 1109 95I-H N 8.716 ambi=1 { N:119.174 } :: atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } atom: 1109 95I-H N 8.716 ambi=1 { N:119.174 } ::sumAvg: 4.585 atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } :: atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } ::sumAvg: 3.74 atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 3.29 atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } :: atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } :: atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } :: atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } ::sumAvg: 4.4 atom: 780 64L-HD1 D1 0.706 ambi=2 { CD1:28.974 } atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } :: atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } :: atom: 781 64L-HD2 D2 0.565 ambi=2 { CD2:24.199 } atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } ::sumAvg: 4.365 atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } ::sumAvg: 2.945 atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } ::sumAvg: 4.965 atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } atom: 789 65R-H N 9.55 ambi=1 { N:125.689 } ::sumAvg: 4.92 atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 791 65R-HB2 B 2.05 ambi=2 {attached_atom is not_assigned} :: atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 792 65R-HB3 B 0.986 ambi=2 {attached_atom is not_assigned} ::sumAvg: 2.46 atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } ::sumAvg: 2.195 atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } ::sumAvg: 3.9 atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } ::sumAvg: 3.9 atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 3.815 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } ::sumAvg: 3.815 atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } ::sumAvg: 4.845 atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } :: atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 899 76E-HB3 B 2.076 ambi=2 { CB:36.835 } ::sumAvg: 3.66 atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } :: atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } ::sumAvg: 3.25 atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } :: atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } ::sumAvg: 3.25 atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 907 77I-H N 9.053 ambi=1 { N:123.552 } ::sumAvg: 3.29 atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 910 77I-HG12 G1 1.658 ambi=2 { CG1:27.37 } :: atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } ::sumAvg: 4.95 atom: 910 77I-HG12 G1 1.658 ambi=2 { CG1:27.37 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } :: atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } ::sumAvg: 4.95 atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } :: atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } ::sumAvg: 4.52 atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } :: atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } atom: 790 65R-HA A 4.891 ambi=1 { CA:55.713 } ::sumAvg: 4.52 atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } atom: 791 65R-HB2 B 2.05 ambi=2 {attached_atom is not_assigned} :: atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } atom: 792 65R-HB3 B 0.986 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.735 atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } atom: 791 65R-HB2 B 2.05 ambi=2 {attached_atom is not_assigned} :: atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } atom: 791 65R-HB2 B 2.05 ambi=2 {attached_atom is not_assigned} :: atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } atom: 792 65R-HB3 B 0.986 ambi=2 {attached_atom is not_assigned} :: atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } atom: 792 65R-HB3 B 0.986 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.12 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 791 65R-HB2 B 2.05 ambi=2 {attached_atom is not_assigned} :: atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 792 65R-HB3 B 0.986 ambi=2 {attached_atom is not_assigned} ::sumAvg: 3.525 atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } :: atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } ::sumAvg: 4.32 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 793 65R-HE E 7.855 ambi=1 { NE:84.8 } ::sumAvg: 4.44 atom: 867 73I-HA A 3.957 ambi=1 { CA:61.244 } atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } ::sumAvg: 4.63 atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } :: atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } ::sumAvg: 4.84 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } ::sumAvg: 2.93 atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } :: atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } ::sumAvg: 4.5 atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } :: atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } ::sumAvg: 3.91 atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } :: atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } atom: 798 66A-H N 7.773 ambi=1 { N:124.132 } ::sumAvg: 4.225 atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } ::sumAvg: 4.46 atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } ::sumAvg: 4.46 atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } :: atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } ::sumAvg: 4.675 atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } :: atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } ::sumAvg: 4.675 atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } ::sumAvg: 3.65 atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } ::sumAvg: 4.94 atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 4.76 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } ::sumAvg: 4.76 atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } atom: 890 75G-H N 6.771 ambi=1 { N:105.759 } ::sumAvg: 4.95 atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } :: atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } atom: 799 66A-HA A 5.004 ambi=1 { CA:49.155 } ::sumAvg: 4.02 atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } ::sumAvg: 4.22 atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } atom: 867 73I-HA A 3.957 ambi=1 { CA:61.244 } ::sumAvg: 4.575 atom: 867 73I-HA A 3.957 ambi=1 { CA:61.244 } atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } ::sumAvg: 4.575 atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 3.82 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } ::sumAvg: 3.82 atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } ::sumAvg: 3.315 atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } atom: 881 74V-HB B 2.411 ambi=1 { CB:33.837 } ::sumAvg: 4.83 atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } ::sumAvg: 4.025 atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } ::sumAvg: 4.02 atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } ::sumAvg: 4.02 atom: 910 77I-HG12 G1 1.658 ambi=2 { CG1:27.37 } atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } ::sumAvg: 4.78 atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } atom: 1144 98L-HG G 1.368 ambi=1 { CG:27.152 } ::sumAvg: 3.57 atom: 800 66A-HB B 0.8 ambi=1 { CB:20.607 } atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } ::sumAvg: 4.815 atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } ::sumAvg: 4.975 atom: 867 73I-HA A 3.957 ambi=1 { CA:61.244 } atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } ::sumAvg: 4.64 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } ::sumAvg: 4.945 atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } :: atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } atom: 805 67F-H N 9.093 ambi=1 { N:121.763 } ::sumAvg: 4.075 atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } ::sumAvg: 4.39 atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } ::sumAvg: 4.39 atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } atom: 860 72A-H N 7.408 ambi=1 { N:122.83 } ::sumAvg: 4.805 atom: 862 72A-HB B 1.376 ambi=1 { CB:19.39 } atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } ::sumAvg: 4.71 atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } :: atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } ::sumAvg: 3.945 atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 4.02 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } ::sumAvg: 4.02 atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } ::sumAvg: 4.99 atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } ::sumAvg: 4.99 atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } :: atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } ::sumAvg: 3 atom: 806 67F-HA A 5.64 ambi=1 { CA:56.432 } atom: 890 75G-H N 6.771 ambi=1 { N:105.759 } ::sumAvg: 4.63 atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } :: atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } atom: 811 67F-QE E 7.142 ambi=3 { CE1:131.9 } ::sumAvg: 4.4 atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } :: atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } ::sumAvg: 4.81 atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } :: atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } ::sumAvg: 4.81 atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } :: atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } ::sumAvg: 4.635 atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } :: atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } ::sumAvg: 4.635 atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } atom: 854 71G-H N 8.145 ambi=1 { N:108.093 } :: atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } atom: 854 71G-H N 8.145 ambi=1 { N:108.093 } ::sumAvg: 4.265 atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } atom: 855 71G-HA2 A 4.403 ambi=2 { CA:45.349 } :: atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } atom: 856 71G-HA3 A 3.746 ambi=2 { CA:45.349 } :: atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } atom: 855 71G-HA2 A 4.403 ambi=2 { CA:45.349 } :: atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } atom: 856 71G-HA3 A 3.746 ambi=2 { CA:45.349 } ::sumAvg: 3.15 atom: 855 71G-HA2 A 4.403 ambi=2 { CA:45.349 } atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } :: atom: 856 71G-HA3 A 3.746 ambi=2 { CA:45.349 } atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } :: atom: 855 71G-HA2 A 4.403 ambi=2 { CA:45.349 } atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } :: atom: 856 71G-HA3 A 3.746 ambi=2 { CA:45.349 } atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } ::sumAvg: 3.15 atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } atom: 860 72A-H N 7.408 ambi=1 { N:122.83 } :: atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } atom: 860 72A-H N 7.408 ambi=1 { N:122.83 } ::sumAvg: 4.155 atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } :: atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } ::sumAvg: 4.995 atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } :: atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } ::sumAvg: 4.995 atom: 867 73I-HA A 3.957 ambi=1 { CA:61.244 } atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } :: atom: 867 73I-HA A 3.957 ambi=1 { CA:61.244 } atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } ::sumAvg: 3.415 atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } :: atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } :: atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } :: atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } ::sumAvg: 3.585 atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } :: atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 4.46 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } :: atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } ::sumAvg: 4.46 atom: 807 67F-HB2 B 3.035 ambi=2 { CB:43.403 } atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } :: atom: 808 67F-HB3 B 2.825 ambi=2 { CB:43.403 } atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } ::sumAvg: 4.985 atom: 867 73I-HA A 3.957 ambi=1 { CA:61.244 } atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } ::sumAvg: 4.055 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } ::sumAvg: 3.97 atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } atom: 809 67F-QD D 7.064 ambi=3 { CD1:132.223 } ::sumAvg: 3.905 atom: 855 71G-HA2 A 4.403 ambi=2 { CA:45.349 } atom: 823 68T-H N 9.383 ambi=1 { N:112.406 } :: atom: 856 71G-HA3 A 3.746 ambi=2 { CA:45.349 } atom: 823 68T-H N 9.383 ambi=1 { N:112.406 } ::sumAvg: 4.055 atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } atom: 823 68T-H N 9.383 ambi=1 { N:112.406 } ::sumAvg: 4.59 atom: 867 73I-HA A 3.957 ambi=1 { CA:61.244 } atom: 823 68T-H N 9.383 ambi=1 { N:112.406 } ::sumAvg: 3.91 atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } atom: 833 69E-HA A 4.109 ambi=1 { CA:59.537 } ::sumAvg: 4.46 atom: 833 69E-HA A 4.109 ambi=1 { CA:59.537 } atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } ::sumAvg: 4.46 atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } atom: 834 69E-QB B 2.182 ambi=2 { CB:29.541 } ::sumAvg: 4.62 atom: 834 69E-QB B 2.182 ambi=2 { CB:29.541 } atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } ::sumAvg: 4.62 atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } atom: 836 69E-HG2 G 2.521 ambi=2 { CG:37.242 } :: atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } atom: 837 69E-HG3 G 2.349 ambi=2 { CG:37.242 } ::sumAvg: 4.36 atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } atom: 843 70E-H N 8.117 ambi=1 { N:115.769 } ::sumAvg: 4.09 atom: 824 68T-HA A 4.945 ambi=1 { CA:60.962 } atom: 854 71G-H N 8.145 ambi=1 { N:108.093 } ::sumAvg: 4.465 atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 833 69E-HA A 4.109 ambi=1 { CA:59.537 } ::sumAvg: 4.77 atom: 833 69E-HA A 4.109 ambi=1 { CA:59.537 } atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } ::sumAvg: 4.77 atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 834 69E-QB B 2.182 ambi=2 { CB:29.541 } ::sumAvg: 4.125 atom: 834 69E-QB B 2.182 ambi=2 { CB:29.541 } atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } ::sumAvg: 4.125 atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 836 69E-HG2 G 2.521 ambi=2 { CG:37.242 } :: atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 837 69E-HG3 G 2.349 ambi=2 { CG:37.242 } ::sumAvg: 3.875 atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 843 70E-H N 8.117 ambi=1 { N:115.769 } ::sumAvg: 2.615 atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 845 70E-HB2 B 2.248 ambi=2 { CB:29.19 } :: atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 846 70E-HB3 B 2.008 ambi=2 { CB:29.19 } ::sumAvg: 3.625 atom: 845 70E-HB2 B 2.248 ambi=2 { CB:29.19 } atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } :: atom: 846 70E-HB3 B 2.008 ambi=2 { CB:29.19 } atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } ::sumAvg: 3.625 atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 847 70E-HG2 G 2.461 ambi=2 { CG:37.126 } :: atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 848 70E-HG3 G 2.307 ambi=2 { CG:37.126 } ::sumAvg: 3.945 atom: 847 70E-HG2 G 2.461 ambi=2 { CG:37.126 } atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } :: atom: 848 70E-HG3 G 2.307 ambi=2 { CG:37.126 } atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } ::sumAvg: 3.945 atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 854 71G-H N 8.145 ambi=1 { N:108.093 } ::sumAvg: 4.01 atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 860 72A-H N 7.408 ambi=1 { N:122.83 } ::sumAvg: 4.345 atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 862 72A-HB B 1.376 ambi=1 { CB:19.39 } ::sumAvg: 4.24 atom: 862 72A-HB B 1.376 ambi=1 { CB:19.39 } atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } ::sumAvg: 4.24 atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } :: atom: 825 68T-HB B 4.977 ambi=1 { CB:71.184 } atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } ::sumAvg: 4.515 atom: 836 69E-HG2 G 2.521 ambi=2 { CG:37.242 } atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } :: atom: 837 69E-HG3 G 2.349 ambi=2 { CG:37.242 } atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } ::sumAvg: 4.975 atom: 845 70E-HB2 B 2.248 ambi=2 { CB:29.19 } atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } :: atom: 846 70E-HB3 B 2.008 ambi=2 { CB:29.19 } atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } ::sumAvg: 4.115 atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } atom: 847 70E-HG2 G 2.461 ambi=2 { CG:37.126 } :: atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } atom: 848 70E-HG3 G 2.307 ambi=2 { CG:37.126 } ::sumAvg: 4.94 atom: 847 70E-HG2 G 2.461 ambi=2 { CG:37.126 } atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } :: atom: 848 70E-HG3 G 2.307 ambi=2 { CG:37.126 } atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } ::sumAvg: 4.94 atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } ::sumAvg: 4.94 atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } ::sumAvg: 4.94 atom: 867 73I-HA A 3.957 ambi=1 { CA:61.244 } atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } ::sumAvg: 4.355 atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } ::sumAvg: 4.18 atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } ::sumAvg: 4.88 atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 826 68T-HG2 G2 1.247 ambi=1 { CG2:23.152 } ::sumAvg: 4.88 atom: 844 70E-HA A 4.388 ambi=1 { CA:57.357 } atom: 834 69E-QB B 2.182 ambi=2 { CB:29.541 } ::sumAvg: 4.34 atom: 844 70E-HA A 4.388 ambi=1 { CA:57.357 } atom: 856 71G-HA3 A 3.746 ambi=2 { CA:45.349 } ::sumAvg: 4.53 atom: 844 70E-HA A 4.388 ambi=1 { CA:57.357 } atom: 860 72A-H N 7.408 ambi=1 { N:122.83 } ::sumAvg: 4.605 atom: 845 70E-HB2 B 2.248 ambi=2 { CB:29.19 } atom: 860 72A-H N 7.408 ambi=1 { N:122.83 } :: atom: 846 70E-HB3 B 2.008 ambi=2 { CB:29.19 } atom: 860 72A-H N 7.408 ambi=1 { N:122.83 } ::sumAvg: 3.08 atom: 845 70E-HB2 B 2.248 ambi=2 { CB:29.19 } atom: 862 72A-HB B 1.376 ambi=1 { CB:19.39 } :: atom: 846 70E-HB3 B 2.008 ambi=2 { CB:29.19 } atom: 862 72A-HB B 1.376 ambi=1 { CB:19.39 } ::sumAvg: 3.255 atom: 862 72A-HB B 1.376 ambi=1 { CB:19.39 } atom: 845 70E-HB2 B 2.248 ambi=2 { CB:29.19 } :: atom: 862 72A-HB B 1.376 ambi=1 { CB:19.39 } atom: 846 70E-HB3 B 2.008 ambi=2 { CB:29.19 } ::sumAvg: 3.255 atom: 862 72A-HB B 1.376 ambi=1 { CB:19.39 } atom: 854 71G-H N 8.145 ambi=1 { N:108.093 } ::sumAvg: 4.13 atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } atom: 856 71G-HA3 A 3.746 ambi=2 { CA:45.349 } ::sumAvg: 4.5 atom: 855 71G-HA2 A 4.403 ambi=2 { CA:45.349 } atom: 862 72A-HB B 1.376 ambi=1 { CB:19.39 } :: atom: 856 71G-HA3 A 3.746 ambi=2 { CA:45.349 } atom: 862 72A-HB B 1.376 ambi=1 { CB:19.39 } ::sumAvg: 4.72 atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } atom: 860 72A-H N 7.408 ambi=1 { N:122.83 } :: atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } atom: 860 72A-H N 7.408 ambi=1 { N:122.83 } ::sumAvg: 4.59 atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } atom: 867 73I-HA A 3.957 ambi=1 { CA:61.244 } ::sumAvg: 4.415 atom: 867 73I-HA A 3.957 ambi=1 { CA:61.244 } atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } ::sumAvg: 4.415 atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } ::sumAvg: 4.705 atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } ::sumAvg: 4.705 atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } :: atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } ::sumAvg: 4.15 atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } ::sumAvg: 3.885 atom: 872 73I-HD1 D1 0.663 ambi=1 { CD1:15.076 } atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } ::sumAvg: 3.885 atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } :: atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } ::sumAvg: 4.66 atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } :: atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } atom: 861 72A-HA A 4.377 ambi=1 { CA:51.95 } ::sumAvg: 4.66 atom: 862 72A-HB B 1.376 ambi=1 { CB:19.39 } atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } ::sumAvg: 4.965 atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 862 72A-HB B 1.376 ambi=1 { CB:19.39 } ::sumAvg: 4.965 atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } atom: 862 72A-HB B 1.376 ambi=1 { CB:19.39 } :: atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } atom: 862 72A-HB B 1.376 ambi=1 { CB:19.39 } ::sumAvg: 2.95 atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } atom: 867 73I-HA A 3.957 ambi=1 { CA:61.244 } ::sumAvg: 3.05 atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } atom: 867 73I-HA A 3.957 ambi=1 { CA:61.244 } :: atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } atom: 867 73I-HA A 3.957 ambi=1 { CA:61.244 } ::sumAvg: 2.545 atom: 867 73I-HA A 3.957 ambi=1 { CA:61.244 } atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } ::sumAvg: 4.455 atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 867 73I-HA A 3.957 ambi=1 { CA:61.244 } ::sumAvg: 4.455 atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } ::sumAvg: 4.17 atom: 868 73I-HB B 0.871 ambi=1 { CB:38.169 } atom: 890 75G-H N 6.771 ambi=1 { N:105.759 } ::sumAvg: 4.87 atom: 869 73I-HG12 G1 1.405 ambi=2 { CG1:29.414 } atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } :: atom: 870 73I-HG13 G1 0.011 ambi=2 { CG1:29.414 } atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } ::sumAvg: 4.405 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } ::sumAvg: 3.85 atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 3.85 atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } :: atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 3.98 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } :: atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } ::sumAvg: 4.25 atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } :: atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 4.25 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } ::sumAvg: 4.86 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } ::sumAvg: 4.245 atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 4.245 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } :: atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 899 76E-HB3 B 2.076 ambi=2 { CB:36.835 } ::sumAvg: 3.21 atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } :: atom: 899 76E-HB3 B 2.076 ambi=2 { CB:36.835 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 3.21 atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } :: atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } ::sumAvg: 4.55 atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } :: atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } atom: 871 73I-HG2 G2 -0.72 ambi=1 { CG2:16.57 } ::sumAvg: 4.55 atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } ::sumAvg: 2.96 atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } :: atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 879 74V-H N 8.204 ambi=1 { N:115.293 } ::sumAvg: 4.31 atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 881 74V-HB B 2.411 ambi=1 { CB:33.837 } ::sumAvg: 2.465 atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } :: atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } ::sumAvg: 2.355 atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 890 75G-H N 6.771 ambi=1 { N:105.759 } ::sumAvg: 3.325 atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } ::sumAvg: 4.545 atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 880 74V-HA A 4.7 ambi=1 { CA:60.155 } ::sumAvg: 4.545 atom: 881 74V-HB B 2.411 ambi=1 { CB:33.837 } atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } :: atom: 881 74V-HB B 2.411 ambi=1 { CB:33.837 } atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } ::sumAvg: 4.925 atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } atom: 881 74V-HB B 2.411 ambi=1 { CB:33.837 } :: atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 881 74V-HB B 2.411 ambi=1 { CB:33.837 } ::sumAvg: 4.925 atom: 881 74V-HB B 2.411 ambi=1 { CB:33.837 } atom: 1185 102L-HD1 D1 0.584 ambi=2 { CD1:26.643 } :: atom: 881 74V-HB B 2.411 ambi=1 { CB:33.837 } atom: 1186 102L-HD2 D2 0.764 ambi=2 { CD2:22.551 } ::sumAvg: 3.915 atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } :: atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } :: atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } :: atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } ::sumAvg: 3.28 atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } :: atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } :: atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } :: atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } ::sumAvg: 3.28 atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } :: atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } ::sumAvg: 4.99 atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } atom: 882 74V-HG1 G1 0.839 ambi=2 { CG1:22.942 } :: atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } atom: 883 74V-HG2 G2 0.525 ambi=2 { CG2:19.25 } ::sumAvg: 4.99 atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } atom: 890 75G-H N 6.771 ambi=1 { N:105.759 } ::sumAvg: 4.845 atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } atom: 890 75G-H N 6.771 ambi=1 { N:105.759 } :: atom: 899 76E-HB3 B 2.076 ambi=2 { CB:36.835 } atom: 890 75G-H N 6.771 ambi=1 { N:105.759 } ::sumAvg: 4.56 atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } atom: 890 75G-H N 6.771 ambi=1 { N:105.759 } :: atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } atom: 890 75G-H N 6.771 ambi=1 { N:105.759 } ::sumAvg: 4.8 atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } :: atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } ::sumAvg: 4.4 atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } :: atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } ::sumAvg: 4.4 atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } :: atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } atom: 899 76E-HB3 B 2.076 ambi=2 { CB:36.835 } :: atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } :: atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 899 76E-HB3 B 2.076 ambi=2 { CB:36.835 } ::sumAvg: 4.26 atom: 891 75G-HA2 A 4.805 ambi=2 { CA:45.459 } atom: 1144 98L-HG G 1.368 ambi=1 { CG:27.152 } :: atom: 892 75G-HA3 A 3.508 ambi=2 { CA:45.459 } atom: 1144 98L-HG G 1.368 ambi=1 { CG:27.152 } ::sumAvg: 4.87 atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } :: atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } ::sumAvg: 4.6 atom: 910 77I-HG12 G1 1.658 ambi=2 { CG1:27.37 } atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } :: atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } atom: 896 76E-H N 9.322 ambi=1 { N:120.923 } ::sumAvg: 4.34 atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } atom: 909 77I-HB B 1.568 ambi=1 { CB:41.16 } ::sumAvg: 4.67 atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } atom: 910 77I-HG12 G1 1.658 ambi=2 { CG1:27.37 } :: atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } ::sumAvg: 3.825 atom: 910 77I-HG12 G1 1.658 ambi=2 { CG1:27.37 } atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } :: atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } ::sumAvg: 3.825 atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } :: atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } ::sumAvg: 4.115 atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } :: atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } atom: 897 76E-HA A 5.272 ambi=1 { CA:55.854 } ::sumAvg: 4.115 atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } atom: 907 77I-H N 9.053 ambi=1 { N:123.552 } :: atom: 899 76E-HB3 B 2.076 ambi=2 { CB:36.835 } atom: 907 77I-H N 9.053 ambi=1 { N:123.552 } ::sumAvg: 4.06 atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } :: atom: 899 76E-HB3 B 2.076 ambi=2 { CB:36.835 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } ::sumAvg: 4.755 atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } atom: 898 76E-HB2 B 2.258 ambi=2 { CB:36.835 } :: atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } atom: 899 76E-HB3 B 2.076 ambi=2 { CB:36.835 } ::sumAvg: 4.755 atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } :: atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } ::sumAvg: 3.78 atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } :: atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } ::sumAvg: 3.78 atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } :: atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } ::sumAvg: 4.44 atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } atom: 923 78S-HB2 B 3.96 ambi=2 { CB:65.691 } :: atom: 900 76E-HG2 G 2.376 ambi=2 { CG:38.639 } atom: 924 78S-HB3 B 3.78 ambi=2 { CB:65.691 } :: atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } atom: 923 78S-HB2 B 3.96 ambi=2 { CB:65.691 } :: atom: 901 76E-HG3 G 2.142 ambi=2 { CG:38.639 } atom: 924 78S-HB3 B 3.78 ambi=2 { CB:65.691 } ::sumAvg: 3.265 atom: 910 77I-HG12 G1 1.658 ambi=2 { CG1:27.37 } atom: 907 77I-H N 9.053 ambi=1 { N:123.552 } :: atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } atom: 907 77I-H N 9.053 ambi=1 { N:123.552 } ::sumAvg: 2.84 atom: 910 77I-HG12 G1 1.658 ambi=2 { CG1:27.37 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } :: atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } ::sumAvg: 2.49 atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } atom: 923 78S-HB2 B 3.96 ambi=2 { CB:65.691 } :: atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } atom: 924 78S-HB3 B 3.78 ambi=2 { CB:65.691 } ::sumAvg: 4.5 atom: 923 78S-HB2 B 3.96 ambi=2 { CB:65.691 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } :: atom: 924 78S-HB3 B 3.78 ambi=2 { CB:65.691 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } ::sumAvg: 4.5 atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } ::sumAvg: 4.815 atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } ::sumAvg: 4.815 atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } :: atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } atom: 908 77I-HA A 5.338 ambi=1 { CA:60.636 } ::sumAvg: 4.655 atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } atom: 909 77I-HB B 1.568 ambi=1 { CB:41.16 } ::sumAvg: 2.41 atom: 909 77I-HB B 1.568 ambi=1 { CB:41.16 } atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } ::sumAvg: 4.905 atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } atom: 909 77I-HB B 1.568 ambi=1 { CB:41.16 } ::sumAvg: 4.905 atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } atom: 909 77I-HB B 1.568 ambi=1 { CB:41.16 } :: atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } atom: 909 77I-HB B 1.568 ambi=1 { CB:41.16 } ::sumAvg: 4 atom: 910 77I-HG12 G1 1.658 ambi=2 { CG1:27.37 } atom: 921 78S-H N 9.089 ambi=1 { N:119.79 } :: atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } atom: 921 78S-H N 9.089 ambi=1 { N:119.79 } ::sumAvg: 4.45 atom: 910 77I-HG12 G1 1.658 ambi=2 { CG1:27.37 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } :: atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } ::sumAvg: 4.755 atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } atom: 910 77I-HG12 G1 1.658 ambi=2 { CG1:27.37 } :: atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } ::sumAvg: 4.755 atom: 910 77I-HG12 G1 1.658 ambi=2 { CG1:27.37 } atom: 1140 98L-H N 8.163 ambi=1 { N:122.824 } :: atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } atom: 1140 98L-H N 8.163 ambi=1 { N:122.824 } ::sumAvg: 4.96 atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } ::sumAvg: 3.27 atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } atom: 911 77I-HG13 G1 1.014 ambi=2 { CG1:27.37 } ::sumAvg: 3.27 atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } ::sumAvg: 3.67 atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } ::sumAvg: 3.67 atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 923 78S-HB2 B 3.96 ambi=2 { CB:65.691 } :: atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 924 78S-HB3 B 3.78 ambi=2 { CB:65.691 } ::sumAvg: 4.93 atom: 923 78S-HB2 B 3.96 ambi=2 { CB:65.691 } atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } :: atom: 924 78S-HB3 B 3.78 ambi=2 { CB:65.691 } atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } ::sumAvg: 4.93 atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } ::sumAvg: 4.635 atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } ::sumAvg: 4.635 atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } :: atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } ::sumAvg: 3.99 atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } :: atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } ::sumAvg: 3.99 atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 1063 91V-HA A 3.175 ambi=1 { CA:67.075 } ::sumAvg: 4.145 atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } ::sumAvg: 4.405 atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 1109 95I-H N 8.716 ambi=1 { N:119.174 } ::sumAvg: 4.545 atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } ::sumAvg: 4.635 atom: 912 77I-HG2 G2 0.655 ambi=1 { CG2:18.742 } atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } ::sumAvg: 4.25 atom: 913 77I-HD1 D1 0.704 ambi=1 { CD1:14.625 } atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } ::sumAvg: 4.68 atom: 913 77I-HD1 D1 0.704 ambi=1 { CD1:14.625 } atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } ::sumAvg: 3.86 atom: 913 77I-HD1 D1 0.704 ambi=1 { CD1:14.625 } atom: 1109 95I-H N 8.716 ambi=1 { N:119.174 } ::sumAvg: 3.38 atom: 913 77I-HD1 D1 0.704 ambi=1 { CD1:14.625 } atom: 1111 95I-HB B 1.737 ambi=1 { CB:37.633 } ::sumAvg: 4.44 atom: 1111 95I-HB B 1.737 ambi=1 { CB:37.633 } atom: 913 77I-HD1 D1 0.704 ambi=1 { CD1:14.625 } ::sumAvg: 4.44 atom: 913 77I-HD1 D1 0.704 ambi=1 { CD1:14.625 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 3.715 atom: 913 77I-HD1 D1 0.704 ambi=1 { CD1:14.625 } atom: 1129 97V-H N 7.749 ambi=1 { N:123.448 } ::sumAvg: 4.845 atom: 913 77I-HD1 D1 0.704 ambi=1 { CD1:14.625 } atom: 1131 97V-HB B 2.206 ambi=1 { CB:31.628 } ::sumAvg: 4.555 atom: 1144 98L-HG G 1.368 ambi=1 { CG:27.152 } atom: 913 77I-HD1 D1 0.704 ambi=1 { CD1:14.625 } ::sumAvg: 4.14 atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 921 78S-H N 9.089 ambi=1 { N:119.79 } ::sumAvg: 4.995 atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } atom: 921 78S-H N 9.089 ambi=1 { N:119.79 } :: atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } atom: 921 78S-H N 9.089 ambi=1 { N:119.79 } ::sumAvg: 4.605 atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } ::sumAvg: 4.56 atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } ::sumAvg: 4.56 atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } :: atom: 922 78S-HA A 5.249 ambi=1 { CA:54.035 } atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } ::sumAvg: 4.365 atom: 923 78S-HB2 B 3.96 ambi=2 { CB:65.691 } atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } ::sumAvg: 3.49 atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } atom: 923 78S-HB2 B 3.96 ambi=2 { CB:65.691 } ::sumAvg: 3.49 atom: 923 78S-HB2 B 3.96 ambi=2 { CB:65.691 } atom: 945 80L-HD1 D1 0.892 ambi=2 { CD1:26.248 } :: atom: 923 78S-HB2 B 3.96 ambi=2 { CB:65.691 } atom: 946 80L-HD2 D2 0.971 ambi=2 { CD2:24.068 } :: atom: 924 78S-HB3 B 3.78 ambi=2 { CB:65.691 } atom: 945 80L-HD1 D1 0.892 ambi=2 { CD1:26.248 } :: atom: 924 78S-HB3 B 3.78 ambi=2 { CB:65.691 } atom: 946 80L-HD2 D2 0.971 ambi=2 { CD2:24.068 } ::sumAvg: 4.94 atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 929 79P-HB2 B 2.438 ambi=2 { CB:32.409 } :: atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 930 79P-HB3 B 2.127 ambi=2 { CB:32.409 } ::sumAvg: 2.32 atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } :: atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } ::sumAvg: 3.41 atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } :: atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } ::sumAvg: 3.705 atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } :: atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } ::sumAvg: 3.705 atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } ::sumAvg: 2.25 atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 942 80L-HB2 B 1.746 ambi=2 { CB:42.359 } :: atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } ::sumAvg: 4.425 atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } ::sumAvg: 3.82 atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } ::sumAvg: 3.82 atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 945 80L-HD1 D1 0.892 ambi=2 { CD1:26.248 } :: atom: 928 79P-HA A 4.74 ambi=1 { CA:62.937 } atom: 946 80L-HD2 D2 0.971 ambi=2 { CD2:24.068 } ::sumAvg: 4.64 atom: 929 79P-HB2 B 2.438 ambi=2 { CB:32.409 } atom: 941 80L-HA A 4.679 ambi=1 { CA:53.206 } :: atom: 930 79P-HB3 B 2.127 ambi=2 { CB:32.409 } atom: 941 80L-HA A 4.679 ambi=1 { CA:53.206 } ::sumAvg: 4.835 atom: 941 80L-HA A 4.679 ambi=1 { CA:53.206 } atom: 929 79P-HB2 B 2.438 ambi=2 { CB:32.409 } :: atom: 941 80L-HA A 4.679 ambi=1 { CA:53.206 } atom: 930 79P-HB3 B 2.127 ambi=2 { CB:32.409 } ::sumAvg: 4.835 atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } atom: 929 79P-HB2 B 2.438 ambi=2 { CB:32.409 } :: atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } atom: 929 79P-HB2 B 2.438 ambi=2 { CB:32.409 } :: atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } atom: 930 79P-HB3 B 2.127 ambi=2 { CB:32.409 } :: atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } atom: 930 79P-HB3 B 2.127 ambi=2 { CB:32.409 } ::sumAvg: 4.605 atom: 931 79P-HG2 G 2.386 ambi=2 { CG:27.897 } atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } :: atom: 932 79P-HG3 G 2.029 ambi=2 { CG:27.897 } atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } ::sumAvg: 4.855 atom: 933 79P-HD2 D 3.894 ambi=2 { CD:51.912 } atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } :: atom: 934 79P-HD3 D 3.547 ambi=2 { CD:51.912 } atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } ::sumAvg: 4.59 atom: 941 80L-HA A 4.679 ambi=1 { CA:53.206 } atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } ::sumAvg: 2.885 atom: 958 81P-HD2 D 3.972 ambi=2 { CD:50.973 } atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } :: atom: 959 81P-HD3 D 3.879 ambi=2 { CD:50.973 } atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } ::sumAvg: 4.805 atom: 975 83F-HB2 B 3.329 ambi=2 { CB:40.269 } atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } :: atom: 976 83F-HB3 B 3.071 ambi=2 { CB:40.269 } atom: 940 80L-H N 8.156 ambi=1 { N:125.81 } ::sumAvg: 3.81 atom: 941 80L-HA A 4.679 ambi=1 { CA:53.206 } atom: 956 81P-QG G 2.116 ambi=2 { CG:27.414 } ::sumAvg: 3.945 atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } atom: 956 81P-QG G 2.116 ambi=2 { CG:27.414 } ::sumAvg: 4.35 atom: 956 81P-QG G 2.116 ambi=2 { CG:27.414 } atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } ::sumAvg: 4.35 atom: 942 80L-HB2 B 1.746 ambi=2 { CB:42.359 } atom: 958 81P-HD2 D 3.972 ambi=2 { CD:50.973 } :: atom: 942 80L-HB2 B 1.746 ambi=2 { CB:42.359 } atom: 959 81P-HD3 D 3.879 ambi=2 { CD:50.973 } :: atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } atom: 958 81P-HD2 D 3.972 ambi=2 { CD:50.973 } :: atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } atom: 959 81P-HD3 D 3.879 ambi=2 { CD:50.973 } ::sumAvg: 2.725 atom: 942 80L-HB2 B 1.746 ambi=2 { CB:42.359 } atom: 965 82S-H N 7.82 ambi=1 { N:109.804 } :: atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } atom: 965 82S-H N 7.82 ambi=1 { N:109.804 } ::sumAvg: 4.33 atom: 942 80L-HB2 B 1.746 ambi=2 { CB:42.359 } atom: 967 82S-HB2 B 3.819 ambi=2 { CB:62.784 } :: atom: 942 80L-HB2 B 1.746 ambi=2 { CB:42.359 } atom: 968 82S-HB3 B 3.734 ambi=2 { CB:62.784 } :: atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } atom: 967 82S-HB2 B 3.819 ambi=2 { CB:62.784 } :: atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } atom: 968 82S-HB3 B 3.734 ambi=2 { CB:62.784 } ::sumAvg: 4.415 atom: 967 82S-HB2 B 3.819 ambi=2 { CB:62.784 } atom: 942 80L-HB2 B 1.746 ambi=2 { CB:42.359 } :: atom: 968 82S-HB3 B 3.734 ambi=2 { CB:62.784 } atom: 942 80L-HB2 B 1.746 ambi=2 { CB:42.359 } :: atom: 967 82S-HB2 B 3.819 ambi=2 { CB:62.784 } atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } :: atom: 968 82S-HB3 B 3.734 ambi=2 { CB:62.784 } atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } ::sumAvg: 4.415 atom: 942 80L-HB2 B 1.746 ambi=2 { CB:42.359 } atom: 973 83F-H N 7.723 ambi=1 { N:120.396 } :: atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } atom: 973 83F-H N 7.723 ambi=1 { N:120.396 } ::sumAvg: 3.63 atom: 942 80L-HB2 B 1.746 ambi=2 { CB:42.359 } atom: 975 83F-HB2 B 3.329 ambi=2 { CB:40.269 } :: atom: 942 80L-HB2 B 1.746 ambi=2 { CB:42.359 } atom: 976 83F-HB3 B 3.071 ambi=2 { CB:40.269 } :: atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } atom: 975 83F-HB2 B 3.329 ambi=2 { CB:40.269 } :: atom: 943 80L-HB3 B 1.702 ambi=2 { CB:42.359 } atom: 976 83F-HB3 B 3.071 ambi=2 { CB:40.269 } ::sumAvg: 2.745 atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } atom: 958 81P-HD2 D 3.972 ambi=2 { CD:50.973 } :: atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } atom: 959 81P-HD3 D 3.879 ambi=2 { CD:50.973 } ::sumAvg: 4.69 atom: 958 81P-HD2 D 3.972 ambi=2 { CD:50.973 } atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } :: atom: 959 81P-HD3 D 3.879 ambi=2 { CD:50.973 } atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } ::sumAvg: 4.69 atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } atom: 975 83F-HB2 B 3.329 ambi=2 { CB:40.269 } :: atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } atom: 976 83F-HB3 B 3.071 ambi=2 { CB:40.269 } ::sumAvg: 4.875 atom: 975 83F-HB2 B 3.329 ambi=2 { CB:40.269 } atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } :: atom: 976 83F-HB3 B 3.071 ambi=2 { CB:40.269 } atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } ::sumAvg: 4.875 atom: 944 80L-HG G 1.535 ambi=1 { CG:27.646 } atom: 977 83F-QD D 7.327 ambi=3 { CD1:132.153 } ::sumAvg: 4.435 atom: 945 80L-HD1 D1 0.892 ambi=2 { CD1:26.248 } atom: 973 83F-H N 7.723 ambi=1 { N:120.396 } :: atom: 946 80L-HD2 D2 0.971 ambi=2 { CD2:24.068 } atom: 973 83F-H N 7.723 ambi=1 { N:120.396 } ::sumAvg: 4.85 atom: 945 80L-HD1 D1 0.892 ambi=2 { CD1:26.248 } atom: 975 83F-HB2 B 3.329 ambi=2 { CB:40.269 } :: atom: 945 80L-HD1 D1 0.892 ambi=2 { CD1:26.248 } atom: 976 83F-HB3 B 3.071 ambi=2 { CB:40.269 } :: atom: 946 80L-HD2 D2 0.971 ambi=2 { CD2:24.068 } atom: 975 83F-HB2 B 3.329 ambi=2 { CB:40.269 } :: atom: 946 80L-HD2 D2 0.971 ambi=2 { CD2:24.068 } atom: 976 83F-HB3 B 3.071 ambi=2 { CB:40.269 } ::sumAvg: 3.77 atom: 953 81P-HA A 4.441 ambi=1 { CA:64.472 } atom: 958 81P-HD2 D 3.972 ambi=2 { CD:50.973 } :: atom: 953 81P-HA A 4.441 ambi=1 { CA:64.472 } atom: 959 81P-HD3 D 3.879 ambi=2 { CD:50.973 } ::sumAvg: 3.645 atom: 958 81P-HD2 D 3.972 ambi=2 { CD:50.973 } atom: 953 81P-HA A 4.441 ambi=1 { CA:64.472 } :: atom: 959 81P-HD3 D 3.879 ambi=2 { CD:50.973 } atom: 953 81P-HA A 4.441 ambi=1 { CA:64.472 } ::sumAvg: 3.645 atom: 954 81P-HB2 B 2.398 ambi=2 { CB:31.797 } atom: 966 82S-HA A 4.219 ambi=1 { CA:59.062 } :: atom: 955 81P-HB3 B 2.034 ambi=2 { CB:31.797 } atom: 966 82S-HA A 4.219 ambi=1 { CA:59.062 } ::sumAvg: 4.625 atom: 967 82S-HB2 B 3.819 ambi=2 { CB:62.784 } atom: 954 81P-HB2 B 2.398 ambi=2 { CB:31.797 } :: atom: 968 82S-HB3 B 3.734 ambi=2 { CB:62.784 } atom: 954 81P-HB2 B 2.398 ambi=2 { CB:31.797 } :: atom: 967 82S-HB2 B 3.819 ambi=2 { CB:62.784 } atom: 955 81P-HB3 B 2.034 ambi=2 { CB:31.797 } :: atom: 968 82S-HB3 B 3.734 ambi=2 { CB:62.784 } atom: 955 81P-HB3 B 2.034 ambi=2 { CB:31.797 } ::sumAvg: 4.82 atom: 956 81P-QG G 2.116 ambi=2 { CG:27.414 } atom: 967 82S-HB2 B 3.819 ambi=2 { CB:62.784 } :: atom: 956 81P-QG G 2.116 ambi=2 { CG:27.414 } atom: 968 82S-HB3 B 3.734 ambi=2 { CB:62.784 } ::sumAvg: 4.62 atom: 967 82S-HB2 B 3.819 ambi=2 { CB:62.784 } atom: 956 81P-QG G 2.116 ambi=2 { CG:27.414 } :: atom: 968 82S-HB3 B 3.734 ambi=2 { CB:62.784 } atom: 956 81P-QG G 2.116 ambi=2 { CG:27.414 } ::sumAvg: 4.62 atom: 958 81P-HD2 D 3.972 ambi=2 { CD:50.973 } atom: 965 82S-H N 7.82 ambi=1 { N:109.804 } :: atom: 959 81P-HD3 D 3.879 ambi=2 { CD:50.973 } atom: 965 82S-H N 7.82 ambi=1 { N:109.804 } ::sumAvg: 4.165 atom: 958 81P-HD2 D 3.972 ambi=2 { CD:50.973 } atom: 977 83F-QD D 7.327 ambi=3 { CD1:132.153 } :: atom: 959 81P-HD3 D 3.879 ambi=2 { CD:50.973 } atom: 977 83F-QD D 7.327 ambi=3 { CD1:132.153 } ::sumAvg: 4.865 atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } atom: 965 82S-H N 7.82 ambi=1 { N:109.804 } ::sumAvg: 4.79 atom: 966 82S-HA A 4.219 ambi=1 { CA:59.062 } atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } ::sumAvg: 4.575 atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } atom: 966 82S-HA A 4.219 ambi=1 { CA:59.062 } ::sumAvg: 4.575 atom: 994 84P-HD2 D 3.811 ambi=2 { CD:50.487 } atom: 966 82S-HA A 4.219 ambi=1 { CA:59.062 } :: atom: 995 84P-HD3 D 3.648 ambi=2 { CD:50.487 } atom: 966 82S-HA A 4.219 ambi=1 { CA:59.062 } ::sumAvg: 4.44 atom: 967 82S-HB2 B 3.819 ambi=2 { CB:62.784 } atom: 973 83F-H N 7.723 ambi=1 { N:120.396 } :: atom: 968 82S-HB3 B 3.734 ambi=2 { CB:62.784 } atom: 973 83F-H N 7.723 ambi=1 { N:120.396 } ::sumAvg: 3.425 atom: 967 82S-HB2 B 3.819 ambi=2 { CB:62.784 } atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } :: atom: 968 82S-HB3 B 3.734 ambi=2 { CB:62.784 } atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } ::sumAvg: 4.885 atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } atom: 967 82S-HB2 B 3.819 ambi=2 { CB:62.784 } :: atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } atom: 968 82S-HB3 B 3.734 ambi=2 { CB:62.784 } ::sumAvg: 4.885 atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } atom: 973 83F-H N 7.723 ambi=1 { N:120.396 } ::sumAvg: 2.96 atom: 989 84P-HA A 4.553 ambi=1 { CA:63.843 } atom: 973 83F-H N 7.723 ambi=1 { N:120.396 } ::sumAvg: 4.875 atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } atom: 975 83F-HB2 B 3.329 ambi=2 { CB:40.269 } :: atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } atom: 976 83F-HB3 B 3.071 ambi=2 { CB:40.269 } ::sumAvg: 2.515 atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } atom: 977 83F-QD D 7.327 ambi=3 { CD1:132.153 } ::sumAvg: 2.935 atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } atom: 979 83F-QE E 7.325 ambi=3 { CE1:131.4 } ::sumAvg: 4.685 atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } atom: 992 84P-QG G 2.051 ambi=2 { CG:27.203 } ::sumAvg: 3.985 atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } atom: 994 84P-HD2 D 3.811 ambi=2 { CD:50.487 } :: atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } atom: 995 84P-HD3 D 3.648 ambi=2 { CD:50.487 } ::sumAvg: 2.185 atom: 974 83F-HA A 4.891 ambi=1 { CA:56.211 } atom: 1001 85G-H N 7.872 ambi=1 { N:106.263 } ::sumAvg: 3.865 atom: 989 84P-HA A 4.553 ambi=1 { CA:63.843 } atom: 994 84P-HD2 D 3.811 ambi=2 { CD:50.487 } :: atom: 989 84P-HA A 4.553 ambi=1 { CA:63.843 } atom: 995 84P-HD3 D 3.648 ambi=2 { CD:50.487 } ::sumAvg: 3.735 atom: 994 84P-HD2 D 3.811 ambi=2 { CD:50.487 } atom: 989 84P-HA A 4.553 ambi=1 { CA:63.843 } :: atom: 995 84P-HD3 D 3.648 ambi=2 { CD:50.487 } atom: 989 84P-HA A 4.553 ambi=1 { CA:63.843 } ::sumAvg: 3.735 atom: 989 84P-HA A 4.553 ambi=1 { CA:63.843 } atom: 1002 85G-HA2 A 4.001 ambi=2 { CA:45.385 } :: atom: 989 84P-HA A 4.553 ambi=1 { CA:63.843 } atom: 1003 85G-HA3 A 3.865 ambi=2 { CA:45.385 } ::sumAvg: 4.605 atom: 1002 85G-HA2 A 4.001 ambi=2 { CA:45.385 } atom: 990 84P-HB2 B 2.285 ambi=2 { CB:31.763 } :: atom: 1003 85G-HA3 A 3.865 ambi=2 { CA:45.385 } atom: 990 84P-HB2 B 2.285 ambi=2 { CB:31.763 } :: atom: 1002 85G-HA2 A 4.001 ambi=2 { CA:45.385 } atom: 991 84P-HB3 B 2.059 ambi=2 { CB:31.763 } :: atom: 1003 85G-HA3 A 3.865 ambi=2 { CA:45.385 } atom: 991 84P-HB3 B 2.059 ambi=2 { CB:31.763 } ::sumAvg: 4.42 atom: 1002 85G-HA2 A 4.001 ambi=2 { CA:45.385 } atom: 992 84P-QG G 2.051 ambi=2 { CG:27.203 } :: atom: 1003 85G-HA3 A 3.865 ambi=2 { CA:45.385 } atom: 992 84P-QG G 2.051 ambi=2 { CG:27.203 } ::sumAvg: 4.795 atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } atom: 1001 85G-H N 7.872 ambi=1 { N:106.263 } :: atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } atom: 1001 85G-H N 7.872 ambi=1 { N:106.263 } ::sumAvg: 4.785 atom: 1002 85G-HA2 A 4.001 ambi=2 { CA:45.385 } atom: 1008 86H-HA A 5.015 ambi=1 { CA:54.968 } :: atom: 1003 85G-HA3 A 3.865 ambi=2 { CA:45.385 } atom: 1008 86H-HA A 5.015 ambi=1 { CA:54.968 } ::sumAvg: 4.49 atom: 1008 86H-HA A 5.015 ambi=1 { CA:54.968 } atom: 1002 85G-HA2 A 4.001 ambi=2 { CA:45.385 } :: atom: 1008 86H-HA A 5.015 ambi=1 { CA:54.968 } atom: 1003 85G-HA3 A 3.865 ambi=2 { CA:45.385 } ::sumAvg: 4.49 atom: 1002 85G-HA2 A 4.001 ambi=2 { CA:45.385 } atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } :: atom: 1002 85G-HA2 A 4.001 ambi=2 { CA:45.385 } atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } :: atom: 1003 85G-HA3 A 3.865 ambi=2 { CA:45.385 } atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } :: atom: 1003 85G-HA3 A 3.865 ambi=2 { CA:45.385 } atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } ::sumAvg: 4.91 atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } atom: 1002 85G-HA2 A 4.001 ambi=2 { CA:45.385 } :: atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } atom: 1002 85G-HA2 A 4.001 ambi=2 { CA:45.385 } :: atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } atom: 1003 85G-HA3 A 3.865 ambi=2 { CA:45.385 } :: atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } atom: 1003 85G-HA3 A 3.865 ambi=2 { CA:45.385 } ::sumAvg: 4.91 atom: 1002 85G-HA2 A 4.001 ambi=2 { CA:45.385 } atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } :: atom: 1003 85G-HA3 A 3.865 ambi=2 { CA:45.385 } atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } ::sumAvg: 4.93 atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } atom: 1002 85G-HA2 A 4.001 ambi=2 { CA:45.385 } :: atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } atom: 1003 85G-HA3 A 3.865 ambi=2 { CA:45.385 } ::sumAvg: 4.93 atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } atom: 1007 86H-H N 7.598 ambi=1 { N:114.515 } ::sumAvg: 4.475 atom: 1008 86H-HA A 5.015 ambi=1 { CA:54.968 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.615 atom: 1008 86H-HA A 5.015 ambi=1 { CA:54.968 } atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } ::sumAvg: 3.415 atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } atom: 1008 86H-HA A 5.015 ambi=1 { CA:54.968 } :: atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } atom: 1008 86H-HA A 5.015 ambi=1 { CA:54.968 } ::sumAvg: 4.035 atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} :: atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.9 atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } :: atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } ::sumAvg: 4.71 atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } :: atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } ::sumAvg: 3.255 atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } :: atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } ::sumAvg: 4.805 atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } :: atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } ::sumAvg: 4.805 atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } :: atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } ::sumAvg: 4.59 atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } :: atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } ::sumAvg: 4.59 atom: 1009 86H-HB2 B 3.387 ambi=2 { CB:31.062 } atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } :: atom: 1010 86H-HB3 B 3.235 ambi=2 { CB:31.062 } atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } ::sumAvg: 3.665 atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.315 atom: 1030 88I-HA A 3.896 ambi=1 { CA:64.241 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.975 atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} :: atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } atom: 1011 86H-HD2 D2 6.507 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.26 atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } :: atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } atom: 1012 86H-HE1 E1 7.882 ambi=1 { CE1:138.13 } ::sumAvg: 3.835 atom: 1022 87T-HB B 4.821 ambi=1 { CB:73.602 } atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } ::sumAvg: 3.785 atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } :: atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } ::sumAvg: 2.635 atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } :: atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } atom: 1020 87T-H N 9.685 ambi=1 { N:110.753 } ::sumAvg: 4.61 atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } atom: 1030 88I-HA A 3.896 ambi=1 { CA:64.241 } ::sumAvg: 4.405 atom: 1030 88I-HA A 3.896 ambi=1 { CA:64.241 } atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } ::sumAvg: 4.405 atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } atom: 1031 88I-HB B 2.169 ambi=1 { CB:37.157 } ::sumAvg: 4.62 atom: 1031 88I-HB B 2.169 ambi=1 { CB:37.157 } atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } ::sumAvg: 4.62 atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } atom: 1043 89E-H N 7.899 ambi=1 { N:121.84 } ::sumAvg: 4.17 atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } atom: 1054 90D-H N 7.697 ambi=1 { N:119.339 } ::sumAvg: 4.59 atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } :: atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } ::sumAvg: 4.805 atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } :: atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } ::sumAvg: 4.805 atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } :: atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } ::sumAvg: 4.89 atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } :: atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } atom: 1021 87T-HA A 5.067 ambi=1 { CA:59.833 } ::sumAvg: 4.89 atom: 1022 87T-HB B 4.821 ambi=1 { CB:73.602 } atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } ::sumAvg: 2.145 atom: 1022 87T-HB B 4.821 ambi=1 { CB:73.602 } atom: 1029 88I-H N 9.11 ambi=1 { N:120.338 } ::sumAvg: 2.315 atom: 1022 87T-HB B 4.821 ambi=1 { CB:73.602 } atom: 1030 88I-HA A 3.896 ambi=1 { CA:64.241 } ::sumAvg: 4.775 atom: 1030 88I-HA A 3.896 ambi=1 { CA:64.241 } atom: 1022 87T-HB B 4.821 ambi=1 { CB:73.602 } ::sumAvg: 4.775 atom: 1022 87T-HB B 4.821 ambi=1 { CB:73.602 } atom: 1031 88I-HB B 2.169 ambi=1 { CB:37.157 } ::sumAvg: 4.615 atom: 1031 88I-HB B 2.169 ambi=1 { CB:37.157 } atom: 1022 87T-HB B 4.821 ambi=1 { CB:73.602 } ::sumAvg: 4.615 atom: 1022 87T-HB B 4.821 ambi=1 { CB:73.602 } atom: 1034 88I-HG2 G2 1.086 ambi=1 { CG2:16.815 } ::sumAvg: 3.15 atom: 1022 87T-HB B 4.821 ambi=1 { CB:73.602 } atom: 1043 89E-H N 7.899 ambi=1 { N:121.84 } ::sumAvg: 2.715 atom: 1022 87T-HB B 4.821 ambi=1 { CB:73.602 } atom: 1045 89E-HB2 B 1.964 ambi=2 { CB:28.41 } :: atom: 1022 87T-HB B 4.821 ambi=1 { CB:73.602 } atom: 1046 89E-HB3 B 1.932 ambi=2 { CB:28.41 } ::sumAvg: 3.575 atom: 1045 89E-HB2 B 1.964 ambi=2 { CB:28.41 } atom: 1022 87T-HB B 4.821 ambi=1 { CB:73.602 } :: atom: 1046 89E-HB3 B 1.932 ambi=2 { CB:28.41 } atom: 1022 87T-HB B 4.821 ambi=1 { CB:73.602 } ::sumAvg: 3.575 atom: 1022 87T-HB B 4.821 ambi=1 { CB:73.602 } atom: 1047 89E-HG2 G 2.389 ambi=2 { CG:36.457 } :: atom: 1022 87T-HB B 4.821 ambi=1 { CB:73.602 } atom: 1048 89E-HG3 G 2.315 ambi=2 { CG:36.457 } ::sumAvg: 3.995 atom: 1047 89E-HG2 G 2.389 ambi=2 { CG:36.457 } atom: 1022 87T-HB B 4.821 ambi=1 { CB:73.602 } :: atom: 1048 89E-HG3 G 2.315 ambi=2 { CG:36.457 } atom: 1022 87T-HB B 4.821 ambi=1 { CB:73.602 } ::sumAvg: 3.995 atom: 1022 87T-HB B 4.821 ambi=1 { CB:73.602 } atom: 1054 90D-H N 7.697 ambi=1 { N:119.339 } ::sumAvg: 3.925 atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } atom: 1045 89E-HB2 B 1.964 ambi=2 { CB:28.41 } :: atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } atom: 1046 89E-HB3 B 1.932 ambi=2 { CB:28.41 } ::sumAvg: 4.03 atom: 1045 89E-HB2 B 1.964 ambi=2 { CB:28.41 } atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } :: atom: 1046 89E-HB3 B 1.932 ambi=2 { CB:28.41 } atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } ::sumAvg: 4.03 atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } atom: 1047 89E-HG2 G 2.389 ambi=2 { CG:36.457 } :: atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } atom: 1048 89E-HG3 G 2.315 ambi=2 { CG:36.457 } ::sumAvg: 4.93 atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } :: atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } ::sumAvg: 4.55 atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } :: atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } atom: 1023 87T-HG2 G2 1.324 ambi=1 { CG2:21.413 } ::sumAvg: 4.55 atom: 1032 88I-HG12 G1 1.505 ambi=2 { CG1:29.799 } atom: 1029 88I-H N 9.11 ambi=1 { N:120.338 } :: atom: 1033 88I-HG13 G1 1.282 ambi=2 { CG1:29.799 } atom: 1029 88I-H N 9.11 ambi=1 { N:120.338 } ::sumAvg: 4.29 atom: 1045 89E-HB2 B 1.964 ambi=2 { CB:28.41 } atom: 1029 88I-H N 9.11 ambi=1 { N:120.338 } :: atom: 1046 89E-HB3 B 1.932 ambi=2 { CB:28.41 } atom: 1029 88I-H N 9.11 ambi=1 { N:120.338 } ::sumAvg: 4.745 atom: 1047 89E-HG2 G 2.389 ambi=2 { CG:36.457 } atom: 1029 88I-H N 9.11 ambi=1 { N:120.338 } :: atom: 1048 89E-HG3 G 2.315 ambi=2 { CG:36.457 } atom: 1029 88I-H N 9.11 ambi=1 { N:120.338 } ::sumAvg: 4.475 atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } atom: 1029 88I-H N 9.11 ambi=1 { N:120.338 } :: atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } atom: 1029 88I-H N 9.11 ambi=1 { N:120.338 } ::sumAvg: 4.74 atom: 1030 88I-HA A 3.896 ambi=1 { CA:64.241 } atom: 1043 89E-H N 7.899 ambi=1 { N:121.84 } ::sumAvg: 3.48 atom: 1030 88I-HA A 3.896 ambi=1 { CA:64.241 } atom: 1054 90D-H N 7.697 ambi=1 { N:119.339 } ::sumAvg: 4.17 atom: 1064 91V-HB B 2.182 ambi=1 { CB:31.594 } atom: 1030 88I-HA A 3.896 ambi=1 { CA:64.241 } ::sumAvg: 2.86 atom: 1030 88I-HA A 3.896 ambi=1 { CA:64.241 } atom: 1073 92K-H N 8.757 ambi=1 { N:119.714 } ::sumAvg: 4.325 atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } atom: 1030 88I-HA A 3.896 ambi=1 { CA:64.241 } ::sumAvg: 4.375 atom: 1032 88I-HG12 G1 1.505 ambi=2 { CG1:29.799 } atom: 1043 89E-H N 7.899 ambi=1 { N:121.84 } :: atom: 1033 88I-HG13 G1 1.282 ambi=2 { CG1:29.799 } atom: 1043 89E-H N 7.899 ambi=1 { N:121.84 } ::sumAvg: 4.235 atom: 1032 88I-HG12 G1 1.505 ambi=2 { CG1:29.799 } atom: 1044 89E-HA A 3.997 ambi=1 { CA:59.978 } :: atom: 1033 88I-HG13 G1 1.282 ambi=2 { CG1:29.799 } atom: 1044 89E-HA A 3.997 ambi=1 { CA:59.978 } ::sumAvg: 4.285 atom: 1044 89E-HA A 3.997 ambi=1 { CA:59.978 } atom: 1032 88I-HG12 G1 1.505 ambi=2 { CG1:29.799 } :: atom: 1044 89E-HA A 3.997 ambi=1 { CA:59.978 } atom: 1033 88I-HG13 G1 1.282 ambi=2 { CG1:29.799 } ::sumAvg: 4.285 atom: 1064 91V-HB B 2.182 ambi=1 { CB:31.594 } atom: 1032 88I-HG12 G1 1.505 ambi=2 { CG1:29.799 } :: atom: 1064 91V-HB B 2.182 ambi=1 { CB:31.594 } atom: 1033 88I-HG13 G1 1.282 ambi=2 { CG1:29.799 } ::sumAvg: 3.635 atom: 1032 88I-HG12 G1 1.505 ambi=2 { CG1:29.799 } atom: 1073 92K-H N 8.757 ambi=1 { N:119.714 } :: atom: 1033 88I-HG13 G1 1.282 ambi=2 { CG1:29.799 } atom: 1073 92K-H N 8.757 ambi=1 { N:119.714 } ::sumAvg: 4.445 atom: 1032 88I-HG12 G1 1.505 ambi=2 { CG1:29.799 } atom: 1391 119A-HA A 4.669 ambi=1 { CA:53.548 } :: atom: 1033 88I-HG13 G1 1.282 ambi=2 { CG1:29.799 } atom: 1391 119A-HA A 4.669 ambi=1 { CA:53.548 } ::sumAvg: 2.74 atom: 1034 88I-HG2 G2 1.086 ambi=1 { CG2:16.815 } atom: 1044 89E-HA A 3.997 ambi=1 { CA:59.978 } ::sumAvg: 3.145 atom: 1045 89E-HB2 B 1.964 ambi=2 { CB:28.41 } atom: 1034 88I-HG2 G2 1.086 ambi=1 { CG2:16.815 } :: atom: 1046 89E-HB3 B 1.932 ambi=2 { CB:28.41 } atom: 1034 88I-HG2 G2 1.086 ambi=1 { CG2:16.815 } ::sumAvg: 3.905 atom: 1034 88I-HG2 G2 1.086 ambi=1 { CG2:16.815 } atom: 1073 92K-H N 8.757 ambi=1 { N:119.714 } ::sumAvg: 4.96 atom: 1075 92K-HB2 B 1.962 ambi=2 { CB:32.22 } atom: 1034 88I-HG2 G2 1.086 ambi=1 { CG2:16.815 } :: atom: 1076 92K-HB3 B 1.833 ambi=2 { CB:32.22 } atom: 1034 88I-HG2 G2 1.086 ambi=1 { CG2:16.815 } ::sumAvg: 4.875 atom: 1034 88I-HG2 G2 1.086 ambi=1 { CG2:16.815 } atom: 1391 119A-HA A 4.669 ambi=1 { CA:53.548 } ::sumAvg: 4.575 atom: 1391 119A-HA A 4.669 ambi=1 { CA:53.548 } atom: 1034 88I-HG2 G2 1.086 ambi=1 { CG2:16.815 } ::sumAvg: 4.575 atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 1035 88I-HD1 D1 1.279 ambi=1 { CD1:14.497 } ::sumAvg: 4.035 atom: 1035 88I-HD1 D1 1.279 ambi=1 { CD1:14.497 } atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } :: atom: 1035 88I-HD1 D1 1.279 ambi=1 { CD1:14.497 } atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } ::sumAvg: 3.875 atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 1035 88I-HD1 D1 1.279 ambi=1 { CD1:14.497 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 1035 88I-HD1 D1 1.279 ambi=1 { CD1:14.497 } ::sumAvg: 3.875 atom: 1035 88I-HD1 D1 1.279 ambi=1 { CD1:14.497 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } ::sumAvg: 4.835 atom: 1035 88I-HD1 D1 1.279 ambi=1 { CD1:14.497 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } ::sumAvg: 4.195 atom: 1035 88I-HD1 D1 1.279 ambi=1 { CD1:14.497 } atom: 1417 121G-H N 7.897 ambi=1 { N:109.129 } ::sumAvg: 4.925 atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } atom: 1043 89E-H N 7.899 ambi=1 { N:121.84 } :: atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } atom: 1043 89E-H N 7.899 ambi=1 { N:121.84 } ::sumAvg: 4.815 atom: 1044 89E-HA A 3.997 ambi=1 { CA:59.978 } atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } ::sumAvg: 4.82 atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } atom: 1044 89E-HA A 3.997 ambi=1 { CA:59.978 } ::sumAvg: 4.82 atom: 1044 89E-HA A 3.997 ambi=1 { CA:59.978 } atom: 1062 91V-H N 7.812 ambi=1 { N:120.703 } ::sumAvg: 4.455 atom: 1075 92K-HB2 B 1.962 ambi=2 { CB:32.22 } atom: 1044 89E-HA A 3.997 ambi=1 { CA:59.978 } :: atom: 1076 92K-HB3 B 1.833 ambi=2 { CB:32.22 } atom: 1044 89E-HA A 3.997 ambi=1 { CA:59.978 } ::sumAvg: 3.85 atom: 1079 92K-HD2 D 1.634 ambi=2 { CD:29.651 } atom: 1044 89E-HA A 3.997 ambi=1 { CA:59.978 } :: atom: 1080 92K-HD3 D 1.545 ambi=2 { CD:29.651 } atom: 1044 89E-HA A 3.997 ambi=1 { CA:59.978 } ::sumAvg: 3.635 atom: 1044 89E-HA A 3.997 ambi=1 { CA:59.978 } atom: 1081 92K-HE2 E 2.745 ambi=2 { CE:41.627 } :: atom: 1044 89E-HA A 3.997 ambi=1 { CA:59.978 } atom: 1082 92K-HE3 E 2.645 ambi=2 { CE:41.627 } ::sumAvg: 4.285 atom: 1081 92K-HE2 E 2.745 ambi=2 { CE:41.627 } atom: 1044 89E-HA A 3.997 ambi=1 { CA:59.978 } :: atom: 1082 92K-HE3 E 2.645 ambi=2 { CE:41.627 } atom: 1044 89E-HA A 3.997 ambi=1 { CA:59.978 } ::sumAvg: 4.285 atom: 1044 89E-HA A 3.997 ambi=1 { CA:59.978 } atom: 1090 93N-H N 8.367 ambi=1 { N:118.326 } ::sumAvg: 4.355 atom: 1045 89E-HB2 B 1.964 ambi=2 { CB:28.41 } atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } :: atom: 1046 89E-HB3 B 1.932 ambi=2 { CB:28.41 } atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } ::sumAvg: 4.4 atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } atom: 1045 89E-HB2 B 1.964 ambi=2 { CB:28.41 } :: atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } atom: 1046 89E-HB3 B 1.932 ambi=2 { CB:28.41 } ::sumAvg: 4.4 atom: 1045 89E-HB2 B 1.964 ambi=2 { CB:28.41 } atom: 1094 93N-HD21 D2 7.81 ambi=1 { ND2:113.089 } :: atom: 1045 89E-HB2 B 1.964 ambi=2 { CB:28.41 } atom: 1095 93N-HD22 D2 7.108 ambi=1 { ND2:113.089 } :: atom: 1046 89E-HB3 B 1.932 ambi=2 { CB:28.41 } atom: 1094 93N-HD21 D2 7.81 ambi=1 { ND2:113.089 } :: atom: 1046 89E-HB3 B 1.932 ambi=2 { CB:28.41 } atom: 1095 93N-HD22 D2 7.108 ambi=1 { ND2:113.089 } ::sumAvg: 3.945 atom: 1064 91V-HB B 2.182 ambi=1 { CB:31.594 } atom: 1054 90D-H N 7.697 ambi=1 { N:119.339 } ::sumAvg: 4.68 atom: 1063 91V-HA A 3.175 ambi=1 { CA:67.075 } atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } ::sumAvg: 4.845 atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } atom: 1073 92K-H N 8.757 ambi=1 { N:119.714 } ::sumAvg: 4.75 atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } atom: 1090 93N-H N 8.367 ambi=1 { N:118.326 } ::sumAvg: 3.785 atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } atom: 1092 93N-HB2 B 2.942 ambi=2 { CB:38.122 } :: atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } atom: 1093 93N-HB3 B 2.845 ambi=2 { CB:38.122 } ::sumAvg: 2.895 atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } ::sumAvg: 4.13 atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } ::sumAvg: 4.525 atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } atom: 1055 90D-HA A 4.444 ambi=1 { CA:57.653 } ::sumAvg: 4.525 atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } atom: 1062 91V-H N 7.812 ambi=1 { N:120.703 } :: atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } atom: 1062 91V-H N 7.812 ambi=1 { N:120.703 } ::sumAvg: 2.775 atom: 1063 91V-HA A 3.175 ambi=1 { CA:67.075 } atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } ::sumAvg: 4.3 atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } :: atom: 1056 90D-HB2 B 3.181 ambi=2 { CB:41.334 } atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } :: atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } :: atom: 1057 90D-HB3 B 2.56 ambi=2 { CB:41.334 } atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } ::sumAvg: 3.31 atom: 1075 92K-HB2 B 1.962 ambi=2 { CB:32.22 } atom: 1062 91V-H N 7.812 ambi=1 { N:120.703 } :: atom: 1076 92K-HB3 B 1.833 ambi=2 { CB:32.22 } atom: 1062 91V-H N 7.812 ambi=1 { N:120.703 } ::sumAvg: 4.93 atom: 1063 91V-HA A 3.175 ambi=1 { CA:67.075 } atom: 1074 92K-HA A 3.754 ambi=1 { CA:61.14 } ::sumAvg: 4.84 atom: 1074 92K-HA A 3.754 ambi=1 { CA:61.14 } atom: 1063 91V-HA A 3.175 ambi=1 { CA:67.075 } ::sumAvg: 4.84 atom: 1063 91V-HA A 3.175 ambi=1 { CA:67.075 } atom: 1090 93N-H N 8.367 ambi=1 { N:118.326 } ::sumAvg: 4.44 atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } atom: 1063 91V-HA A 3.175 ambi=1 { CA:67.075 } ::sumAvg: 4.52 atom: 1074 92K-HA A 3.754 ambi=1 { CA:61.14 } atom: 1064 91V-HB B 2.182 ambi=1 { CB:31.594 } ::sumAvg: 4.39 atom: 1064 91V-HB B 2.182 ambi=1 { CB:31.594 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } ::sumAvg: 4.36 atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } atom: 1064 91V-HB B 2.182 ambi=1 { CB:31.594 } ::sumAvg: 4.36 atom: 1064 91V-HB B 2.182 ambi=1 { CB:31.594 } atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } ::sumAvg: 3.405 atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } atom: 1064 91V-HB B 2.182 ambi=1 { CB:31.594 } ::sumAvg: 3.405 atom: 1075 92K-HB2 B 1.962 ambi=2 { CB:32.22 } atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } :: atom: 1076 92K-HB3 B 1.833 ambi=2 { CB:32.22 } atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } :: atom: 1075 92K-HB2 B 1.962 ambi=2 { CB:32.22 } atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } :: atom: 1076 92K-HB3 B 1.833 ambi=2 { CB:32.22 } atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } ::sumAvg: 4.445 atom: 1077 92K-HG2 G 1.605 ambi=2 { CG:25.995 } atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } :: atom: 1077 92K-HG2 G 1.605 ambi=2 { CG:25.995 } atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } ::sumAvg: 4.71 atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } atom: 1090 93N-H N 8.367 ambi=1 { N:118.326 } :: atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } atom: 1090 93N-H N 8.367 ambi=1 { N:118.326 } ::sumAvg: 4.86 atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } :: atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } ::sumAvg: 4.7 atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } :: atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 4.6 atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } ::sumAvg: 2.23 atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } ::sumAvg: 2.23 atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } ::sumAvg: 3.35 atom: 1065 91V-HG1 G1 0.659 ambi=2 { CG1:20.874 } atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } :: atom: 1066 91V-HG2 G2 0.875 ambi=2 { CG2:24.346 } atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } ::sumAvg: 4.89 atom: 1079 92K-HD2 D 1.634 ambi=2 { CD:29.651 } atom: 1073 92K-H N 8.757 ambi=1 { N:119.714 } :: atom: 1080 92K-HD3 D 1.545 ambi=2 { CD:29.651 } atom: 1073 92K-H N 8.757 ambi=1 { N:119.714 } ::sumAvg: 4.445 atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } atom: 1073 92K-H N 8.757 ambi=1 { N:119.714 } ::sumAvg: 4.245 atom: 1079 92K-HD2 D 1.634 ambi=2 { CD:29.651 } atom: 1074 92K-HA A 3.754 ambi=1 { CA:61.14 } :: atom: 1080 92K-HD3 D 1.545 ambi=2 { CD:29.651 } atom: 1074 92K-HA A 3.754 ambi=1 { CA:61.14 } ::sumAvg: 4.51 atom: 1074 92K-HA A 3.754 ambi=1 { CA:61.14 } atom: 1090 93N-H N 8.367 ambi=1 { N:118.326 } ::sumAvg: 3.545 atom: 1074 92K-HA A 3.754 ambi=1 { CA:61.14 } atom: 1091 93N-HA A 4.484 ambi=1 { CA:56.153 } ::sumAvg: 4.85 atom: 1091 93N-HA A 4.484 ambi=1 { CA:56.153 } atom: 1074 92K-HA A 3.754 ambi=1 { CA:61.14 } ::sumAvg: 4.85 atom: 1074 92K-HA A 3.754 ambi=1 { CA:61.14 } atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } ::sumAvg: 4.505 atom: 1074 92K-HA A 3.754 ambi=1 { CA:61.14 } atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } ::sumAvg: 4.905 atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } atom: 1074 92K-HA A 3.754 ambi=1 { CA:61.14 } ::sumAvg: 4.905 atom: 1074 92K-HA A 3.754 ambi=1 { CA:61.14 } atom: 1111 95I-HB B 1.737 ambi=1 { CB:37.633 } ::sumAvg: 2.775 atom: 1074 92K-HA A 3.754 ambi=1 { CA:61.14 } atom: 1123 96G-H N 8.125 ambi=1 { N:106.409 } ::sumAvg: 4.125 atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } atom: 1074 92K-HA A 3.754 ambi=1 { CA:61.14 } ::sumAvg: 4.16 atom: 1074 92K-HA A 3.754 ambi=1 { CA:61.14 } atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } ::sumAvg: 4.005 atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1074 92K-HA A 3.754 ambi=1 { CA:61.14 } ::sumAvg: 4.005 atom: 1074 92K-HA A 3.754 ambi=1 { CA:61.14 } atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } ::sumAvg: 3.13 atom: 1075 92K-HB2 B 1.962 ambi=2 { CB:32.22 } atom: 1081 92K-HE2 E 2.745 ambi=2 { CE:41.627 } :: atom: 1075 92K-HB2 B 1.962 ambi=2 { CB:32.22 } atom: 1082 92K-HE3 E 2.645 ambi=2 { CE:41.627 } :: atom: 1076 92K-HB3 B 1.833 ambi=2 { CB:32.22 } atom: 1081 92K-HE2 E 2.745 ambi=2 { CE:41.627 } :: atom: 1076 92K-HB3 B 1.833 ambi=2 { CB:32.22 } atom: 1082 92K-HE3 E 2.645 ambi=2 { CE:41.627 } ::sumAvg: 3.225 atom: 1075 92K-HB2 B 1.962 ambi=2 { CB:32.22 } atom: 1091 93N-HA A 4.484 ambi=1 { CA:56.153 } :: atom: 1076 92K-HB3 B 1.833 ambi=2 { CB:32.22 } atom: 1091 93N-HA A 4.484 ambi=1 { CA:56.153 } ::sumAvg: 4.535 atom: 1075 92K-HB2 B 1.962 ambi=2 { CB:32.22 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } :: atom: 1076 92K-HB3 B 1.833 ambi=2 { CB:32.22 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } ::sumAvg: 4.415 atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } atom: 1075 92K-HB2 B 1.962 ambi=2 { CB:32.22 } :: atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } atom: 1076 92K-HB3 B 1.833 ambi=2 { CB:32.22 } ::sumAvg: 4.505 atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1075 92K-HB2 B 1.962 ambi=2 { CB:32.22 } :: atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1076 92K-HB3 B 1.833 ambi=2 { CB:32.22 } ::sumAvg: 3.765 atom: 1075 92K-HB2 B 1.962 ambi=2 { CB:32.22 } atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } :: atom: 1076 92K-HB3 B 1.833 ambi=2 { CB:32.22 } atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } ::sumAvg: 3.895 atom: 1075 92K-HB2 B 1.962 ambi=2 { CB:32.22 } atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } :: atom: 1076 92K-HB3 B 1.833 ambi=2 { CB:32.22 } atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } ::sumAvg: 4.77 atom: 1077 92K-HG2 G 1.605 ambi=2 { CG:25.995 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } :: atom: 1078 92K-HG3 G 0.988 ambi=2 { CG:25.995 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } ::sumAvg: 4.775 atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1077 92K-HG2 G 1.605 ambi=2 { CG:25.995 } :: atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1078 92K-HG3 G 0.988 ambi=2 { CG:25.995 } ::sumAvg: 3.94 atom: 1077 92K-HG2 G 1.605 ambi=2 { CG:25.995 } atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } :: atom: 1078 92K-HG3 G 0.988 ambi=2 { CG:25.995 } atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } ::sumAvg: 3.95 atom: 1077 92K-HG2 G 1.605 ambi=2 { CG:25.995 } atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } :: atom: 1078 92K-HG3 G 0.988 ambi=2 { CG:25.995 } atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } ::sumAvg: 4.19 atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1079 92K-HD2 D 1.634 ambi=2 { CD:29.651 } :: atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1080 92K-HD3 D 1.545 ambi=2 { CD:29.651 } ::sumAvg: 3.575 atom: 1079 92K-HD2 D 1.634 ambi=2 { CD:29.651 } atom: 1417 121G-H N 7.897 ambi=1 { N:109.129 } :: atom: 1080 92K-HD3 D 1.545 ambi=2 { CD:29.651 } atom: 1417 121G-H N 7.897 ambi=1 { N:109.129 } ::sumAvg: 4.71 atom: 1081 92K-HE2 E 2.745 ambi=2 { CE:41.627 } atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } :: atom: 1082 92K-HE3 E 2.645 ambi=2 { CE:41.627 } atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } ::sumAvg: 4.875 atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1081 92K-HE2 E 2.745 ambi=2 { CE:41.627 } :: atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1082 92K-HE3 E 2.645 ambi=2 { CE:41.627 } ::sumAvg: 4.875 atom: 1091 93N-HA A 4.484 ambi=1 { CA:56.153 } atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } ::sumAvg: 4.89 atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } atom: 1091 93N-HA A 4.484 ambi=1 { CA:56.153 } ::sumAvg: 4.89 atom: 1091 93N-HA A 4.484 ambi=1 { CA:56.153 } atom: 1125 96G-HA3 A 3.773 ambi=2 { CA:47.753 } ::sumAvg: 3.59 atom: 1125 96G-HA3 A 3.773 ambi=2 { CA:47.753 } atom: 1091 93N-HA A 4.484 ambi=1 { CA:56.153 } ::sumAvg: 3.59 atom: 1092 93N-HB2 B 2.942 ambi=2 { CB:38.122 } atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } :: atom: 1093 93N-HB3 B 2.845 ambi=2 { CB:38.122 } atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } ::sumAvg: 4.31 atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } atom: 1092 93N-HB2 B 2.942 ambi=2 { CB:38.122 } :: atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } atom: 1093 93N-HB3 B 2.845 ambi=2 { CB:38.122 } ::sumAvg: 4.31 atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } atom: 1092 93N-HB2 B 2.942 ambi=2 { CB:38.122 } :: atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } atom: 1093 93N-HB3 B 2.845 ambi=2 { CB:38.122 } ::sumAvg: 4.105 atom: 1092 93N-HB2 B 2.942 ambi=2 { CB:38.122 } atom: 1129 97V-H N 7.749 ambi=1 { N:123.448 } :: atom: 1093 93N-HB3 B 2.845 ambi=2 { CB:38.122 } atom: 1129 97V-H N 7.749 ambi=1 { N:123.448 } ::sumAvg: 4.735 atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } atom: 1092 93N-HB2 B 2.942 ambi=2 { CB:38.122 } :: atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } atom: 1092 93N-HB2 B 2.942 ambi=2 { CB:38.122 } :: atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } atom: 1093 93N-HB3 B 2.845 ambi=2 { CB:38.122 } :: atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } atom: 1093 93N-HB3 B 2.845 ambi=2 { CB:38.122 } ::sumAvg: 3.51 atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } :: atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } ::sumAvg: 4.65 atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } :: atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } atom: 1102 94A-H N 8.085 ambi=1 { N:122.03 } ::sumAvg: 4.565 atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } atom: 1109 95I-H N 8.716 ambi=1 { N:119.174 } ::sumAvg: 3.57 atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } ::sumAvg: 4.865 atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } ::sumAvg: 4.865 atom: 1131 97V-HB B 2.206 ambi=1 { CB:31.628 } atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } ::sumAvg: 2.825 atom: 1103 94A-HA A 3.905 ambi=1 { CA:55.448 } atom: 1140 98L-H N 8.163 ambi=1 { N:122.824 } ::sumAvg: 4.145 atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } ::sumAvg: 3.935 atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } ::sumAvg: 3.28 atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } atom: 1131 97V-HB B 2.206 ambi=1 { CB:31.628 } ::sumAvg: 4.175 atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } atom: 1140 98L-H N 8.163 ambi=1 { N:122.824 } ::sumAvg: 4.655 atom: 1104 94A-HB B 1.405 ambi=1 { CB:19.404 } atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } ::sumAvg: 4.71 atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } atom: 1109 95I-H N 8.716 ambi=1 { N:119.174 } :: atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } atom: 1109 95I-H N 8.716 ambi=1 { N:119.174 } ::sumAvg: 2.28 atom: 1124 96G-HA2 A 4.125 ambi=2 { CA:47.753 } atom: 1109 95I-H N 8.716 ambi=1 { N:119.174 } :: atom: 1125 96G-HA3 A 3.773 ambi=2 { CA:47.753 } atom: 1109 95I-H N 8.716 ambi=1 { N:119.174 } ::sumAvg: 4.84 atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } :: atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } ::sumAvg: 2.545 atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } atom: 1124 96G-HA2 A 4.125 ambi=2 { CA:47.753 } :: atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } atom: 1125 96G-HA3 A 3.773 ambi=2 { CA:47.753 } ::sumAvg: 4.89 atom: 1124 96G-HA2 A 4.125 ambi=2 { CA:47.753 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } :: atom: 1125 96G-HA3 A 3.773 ambi=2 { CA:47.753 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } ::sumAvg: 4.89 atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } atom: 1129 97V-H N 7.749 ambi=1 { N:123.448 } ::sumAvg: 4.45 atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } :: atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } ::sumAvg: 2.425 atom: 1144 98L-HG G 1.368 ambi=1 { CG:27.152 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } ::sumAvg: 4.74 atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } :: atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } ::sumAvg: 3.175 atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } atom: 1154 99I-H N 9.085 ambi=1 { N:118.036 } ::sumAvg: 3.975 atom: 1110 95I-HA A 3.256 ambi=1 { CA:66.786 } atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } ::sumAvg: 4.73 atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } atom: 1111 95I-HB B 1.737 ambi=1 { CB:37.633 } :: atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } atom: 1111 95I-HB B 1.737 ambi=1 { CB:37.633 } ::sumAvg: 4.815 atom: 1111 95I-HB B 1.737 ambi=1 { CB:37.633 } atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } ::sumAvg: 2.915 atom: 1111 95I-HB B 1.737 ambi=1 { CB:37.633 } atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } ::sumAvg: 2.365 atom: 1111 95I-HB B 1.737 ambi=1 { CB:37.633 } atom: 1406 120W-HH2 H2 7.003 ambi=1 { CH2:123.877 } ::sumAvg: 4.49 atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } atom: 1123 96G-H N 8.125 ambi=1 { N:106.409 } :: atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } atom: 1123 96G-H N 8.125 ambi=1 { N:106.409 } ::sumAvg: 4.285 atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } :: atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } :: atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } ::sumAvg: 4.5 atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } :: atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } :: atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } ::sumAvg: 4.5 atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } :: atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } ::sumAvg: 3.71 atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } :: atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } :: atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } ::sumAvg: 4.42 atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } :: atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } ::sumAvg: 3.705 atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } :: atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } ::sumAvg: 4.925 atom: 1112 95I-HG12 G1 1.8 ambi=2 { CG1:30.332 } atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } :: atom: 1113 95I-HG13 G1 0.459 ambi=2 { CG1:30.332 } atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } ::sumAvg: 4.82 atom: 1124 96G-HA2 A 4.125 ambi=2 { CA:47.753 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } :: atom: 1125 96G-HA3 A 3.773 ambi=2 { CA:47.753 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 3.4 atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } :: atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 3.415 atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } ::sumAvg: 3.18 atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 3.18 atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } atom: 1154 99I-H N 9.085 ambi=1 { N:118.036 } ::sumAvg: 3.735 atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } ::sumAvg: 4.97 atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 4.97 atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } atom: 1159 99I-HG2 G2 0.779 ambi=1 { CG2:16.926 } ::sumAvg: 3.82 atom: 1159 99I-HG2 G2 0.779 ambi=1 { CG2:16.926 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 3.82 atom: 1262 109V-HG1 G1 0.709 ambi=2 { CG1:22.917 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } :: atom: 1263 109V-HG2 G2 0.754 ambi=2 { CG2:22.765 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 4.725 atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } ::sumAvg: 4.59 atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 4.59 atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } ::sumAvg: 4.725 atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 4.725 atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } :: atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } ::sumAvg: 2.565 atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } :: atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 2.565 atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } :: atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } ::sumAvg: 4.435 atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } :: atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 4.435 atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } ::sumAvg: 4.84 atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 4.84 atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } ::sumAvg: 4.035 atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } ::sumAvg: 2.855 atom: 1114 95I-HG2 G2 0.248 ambi=1 { CG2:17.195 } atom: 1404 120W-HZ2 Z2 7.393 ambi=1 { CZ2:114.713 } ::sumAvg: 4.46 atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } ::sumAvg: 2.88 atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } ::sumAvg: 2.88 atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } ::sumAvg: 4.59 atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } :: atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } ::sumAvg: 3.03 atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } :: atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } ::sumAvg: 3.03 atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } atom: 1333 115L-HG G 1.629 ambi=1 { CG:27.486 } ::sumAvg: 4.8 atom: 1333 115L-HG G 1.629 ambi=1 { CG:27.486 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } ::sumAvg: 4.8 atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } ::sumAvg: 4.27 atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } ::sumAvg: 3.935 atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } ::sumAvg: 3.935 atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1115 95I-HD1 D1 0.463 ambi=1 { CD1:14.096 } ::sumAvg: 3.42 atom: 1130 97V-HA A 3.721 ambi=1 { CA:66.254 } atom: 1124 96G-HA2 A 4.125 ambi=2 { CA:47.753 } ::sumAvg: 4.435 atom: 1124 96G-HA2 A 4.125 ambi=2 { CA:47.753 } atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } :: atom: 1124 96G-HA2 A 4.125 ambi=2 { CA:47.753 } atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } :: atom: 1125 96G-HA3 A 3.773 ambi=2 { CA:47.753 } atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } :: atom: 1125 96G-HA3 A 3.773 ambi=2 { CA:47.753 } atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } ::sumAvg: 4.09 atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } atom: 1124 96G-HA2 A 4.125 ambi=2 { CA:47.753 } :: atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } atom: 1124 96G-HA2 A 4.125 ambi=2 { CA:47.753 } :: atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } atom: 1125 96G-HA3 A 3.773 ambi=2 { CA:47.753 } :: atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } atom: 1125 96G-HA3 A 3.773 ambi=2 { CA:47.753 } ::sumAvg: 4.09 atom: 1124 96G-HA2 A 4.125 ambi=2 { CA:47.753 } atom: 1154 99I-H N 9.085 ambi=1 { N:118.036 } :: atom: 1125 96G-HA3 A 3.773 ambi=2 { CA:47.753 } atom: 1154 99I-H N 9.085 ambi=1 { N:118.036 } ::sumAvg: 3.67 atom: 1124 96G-HA2 A 4.125 ambi=2 { CA:47.753 } atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } :: atom: 1125 96G-HA3 A 3.773 ambi=2 { CA:47.753 } atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } ::sumAvg: 3.895 atom: 1124 96G-HA2 A 4.125 ambi=2 { CA:47.753 } atom: 1404 120W-HZ2 Z2 7.393 ambi=1 { CZ2:114.713 } :: atom: 1125 96G-HA3 A 3.773 ambi=2 { CA:47.753 } atom: 1404 120W-HZ2 Z2 7.393 ambi=1 { CZ2:114.713 } ::sumAvg: 4.68 atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } atom: 1129 97V-H N 7.749 ambi=1 { N:123.448 } :: atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } atom: 1129 97V-H N 7.749 ambi=1 { N:123.448 } ::sumAvg: 4.675 atom: 1130 97V-HA A 3.721 ambi=1 { CA:66.254 } atom: 1154 99I-H N 9.085 ambi=1 { N:118.036 } ::sumAvg: 4.705 atom: 1130 97V-HA A 3.721 ambi=1 { CA:66.254 } atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } ::sumAvg: 3.5 atom: 1131 97V-HB B 2.206 ambi=1 { CB:31.628 } atom: 1141 98L-HA A 3.953 ambi=1 { CA:58.598 } ::sumAvg: 4.43 atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } atom: 1131 97V-HB B 2.206 ambi=1 { CB:31.628 } ::sumAvg: 4.36 atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } :: atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } :: atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } ::sumAvg: 4.255 atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } :: atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } ::sumAvg: 4.73 atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } :: atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } ::sumAvg: 4.52 atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } :: atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } atom: 1132 97V-HG1 G1 0.881 ambi=2 { CG1:21.657 } :: atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } :: atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } atom: 1133 97V-HG2 G2 1.029 ambi=2 { CG2:22.504 } ::sumAvg: 4.745 atom: 1141 98L-HA A 3.953 ambi=1 { CA:58.598 } atom: 1154 99I-H N 9.085 ambi=1 { N:118.036 } ::sumAvg: 3.545 atom: 1141 98L-HA A 3.953 ambi=1 { CA:58.598 } atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } ::sumAvg: 4.85 atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } atom: 1141 98L-HA A 3.953 ambi=1 { CA:58.598 } ::sumAvg: 4.85 atom: 1141 98L-HA A 3.953 ambi=1 { CA:58.598 } atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } ::sumAvg: 4.55 atom: 1141 98L-HA A 3.953 ambi=1 { CA:58.598 } atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } ::sumAvg: 4.2 atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } atom: 1141 98L-HA A 3.953 ambi=1 { CA:58.598 } ::sumAvg: 4.2 atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } :: atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } ::sumAvg: 4.44 atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } atom: 1158 99I-HG13 G1 0.585 ambi=2 { CG1:30.317 } :: atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } atom: 1158 99I-HG13 G1 0.585 ambi=2 { CG1:30.317 } ::sumAvg: 4.64 atom: 1158 99I-HG13 G1 0.585 ambi=2 { CG1:30.317 } atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } :: atom: 1158 99I-HG13 G1 0.585 ambi=2 { CG1:30.317 } atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } ::sumAvg: 4.64 atom: 1142 98L-HB2 B 1.987 ambi=2 { CB:42.045 } atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } :: atom: 1143 98L-HB3 B 1.374 ambi=2 { CB:42.045 } atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } ::sumAvg: 4.925 atom: 1144 98L-HG G 1.368 ambi=1 { CG:27.152 } atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } ::sumAvg: 3.65 atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } atom: 1144 98L-HG G 1.368 ambi=1 { CG:27.152 } ::sumAvg: 3.65 atom: 1158 99I-HG13 G1 0.585 ambi=2 { CG1:30.317 } atom: 1144 98L-HG G 1.368 ambi=1 { CG:27.152 } ::sumAvg: 4.43 atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } atom: 1144 98L-HG G 1.368 ambi=1 { CG:27.152 } :: atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } atom: 1144 98L-HG G 1.368 ambi=1 { CG:27.152 } ::sumAvg: 4.625 atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } atom: 1144 98L-HG G 1.368 ambi=1 { CG:27.152 } ::sumAvg: 3.415 atom: 1262 109V-HG1 G1 0.709 ambi=2 { CG1:22.917 } atom: 1144 98L-HG G 1.368 ambi=1 { CG:27.152 } :: atom: 1263 109V-HG2 G2 0.754 ambi=2 { CG2:22.765 } atom: 1144 98L-HG G 1.368 ambi=1 { CG:27.152 } ::sumAvg: 4.43 atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } :: atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } ::sumAvg: 4.67 atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } atom: 1157 99I-HG12 G1 1.752 ambi=2 { CG1:30.317 } :: atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } atom: 1157 99I-HG12 G1 1.752 ambi=2 { CG1:30.317 } ::sumAvg: 4.64 atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } :: atom: 1145 98L-HD1 D1 0.777 ambi=2 { CD1:24.184 } atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } :: atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } :: atom: 1146 98L-HD2 D2 0.647 ambi=2 { CD2:27.962 } atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } ::sumAvg: 4.81 atom: 1157 99I-HG12 G1 1.752 ambi=2 { CG1:30.317 } atom: 1154 99I-H N 9.085 ambi=1 { N:118.036 } :: atom: 1158 99I-HG13 G1 0.585 ambi=2 { CG1:30.317 } atom: 1154 99I-H N 9.085 ambi=1 { N:118.036 } ::sumAvg: 3.28 atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } atom: 1154 99I-H N 9.085 ambi=1 { N:118.036 } ::sumAvg: 4.53 atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } atom: 1154 99I-H N 9.085 ambi=1 { N:118.036 } :: atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } atom: 1154 99I-H N 9.085 ambi=1 { N:118.036 } ::sumAvg: 4.855 atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } ::sumAvg: 4.535 atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } ::sumAvg: 4.535 atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } :: atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } ::sumAvg: 2.445 atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } ::sumAvg: 3.825 atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } ::sumAvg: 3.825 atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } atom: 1194 103E-H N 9.319 ambi=1 { N:121.912 } ::sumAvg: 4.035 atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } :: atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } atom: 1199 103E-HG3 G 2.341 ambi=2 { CG:37.93 } ::sumAvg: 3.935 atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } :: atom: 1199 103E-HG3 G 2.341 ambi=2 { CG:37.93 } atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } ::sumAvg: 3.935 atom: 1261 109V-HB B 1.947 ambi=1 { CB:32.985 } atom: 1155 99I-HA A 3.323 ambi=1 { CA:67.496 } ::sumAvg: 4.155 atom: 1156 99I-HB B 1.72 ambi=1 { CB:37.723 } atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } ::sumAvg: 4.585 atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } atom: 1156 99I-HB B 1.72 ambi=1 { CB:37.723 } ::sumAvg: 4.585 atom: 1156 99I-HB B 1.72 ambi=1 { CB:37.723 } atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } :: atom: 1156 99I-HB B 1.72 ambi=1 { CB:37.723 } atom: 1199 103E-HG3 G 2.341 ambi=2 { CG:37.93 } ::sumAvg: 4.975 atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } atom: 1156 99I-HB B 1.72 ambi=1 { CB:37.723 } :: atom: 1199 103E-HG3 G 2.341 ambi=2 { CG:37.93 } atom: 1156 99I-HB B 1.72 ambi=1 { CB:37.723 } ::sumAvg: 4.975 atom: 1156 99I-HB B 1.72 ambi=1 { CB:37.723 } atom: 1406 120W-HH2 H2 7.003 ambi=1 { CH2:123.877 } ::sumAvg: 3.8 atom: 1157 99I-HG12 G1 1.752 ambi=2 { CG1:30.317 } atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } :: atom: 1158 99I-HG13 G1 0.585 ambi=2 { CG1:30.317 } atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } ::sumAvg: 4.34 atom: 1157 99I-HG12 G1 1.752 ambi=2 { CG1:30.317 } atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } :: atom: 1158 99I-HG13 G1 0.585 ambi=2 { CG1:30.317 } atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } ::sumAvg: 4.17 atom: 1185 102L-HD1 D1 0.584 ambi=2 { CD1:26.643 } atom: 1157 99I-HG12 G1 1.752 ambi=2 { CG1:30.317 } :: atom: 1186 102L-HD2 D2 0.764 ambi=2 { CD2:22.551 } atom: 1157 99I-HG12 G1 1.752 ambi=2 { CG1:30.317 } ::sumAvg: 3.585 atom: 1158 99I-HG13 G1 0.585 ambi=2 { CG1:30.317 } atom: 1261 109V-HB B 1.947 ambi=1 { CB:32.985 } ::sumAvg: 3.025 atom: 1261 109V-HB B 1.947 ambi=1 { CB:32.985 } atom: 1158 99I-HG13 G1 0.585 ambi=2 { CG1:30.317 } ::sumAvg: 3.025 atom: 1262 109V-HG1 G1 0.709 ambi=2 { CG1:22.917 } atom: 1157 99I-HG12 G1 1.752 ambi=2 { CG1:30.317 } :: atom: 1263 109V-HG2 G2 0.754 ambi=2 { CG2:22.765 } atom: 1157 99I-HG12 G1 1.752 ambi=2 { CG1:30.317 } ::sumAvg: 2.445 atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } atom: 1157 99I-HG12 G1 1.752 ambi=2 { CG1:30.317 } :: atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } atom: 1157 99I-HG12 G1 1.752 ambi=2 { CG1:30.317 } ::sumAvg: 3.795 atom: 1157 99I-HG12 G1 1.752 ambi=2 { CG1:30.317 } atom: 1406 120W-HH2 H2 7.003 ambi=1 { CH2:123.877 } :: atom: 1158 99I-HG13 G1 0.585 ambi=2 { CG1:30.317 } atom: 1406 120W-HH2 H2 7.003 ambi=1 { CH2:123.877 } ::sumAvg: 4.695 atom: 1159 99I-HG2 G2 0.779 ambi=1 { CG2:16.926 } atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } ::sumAvg: 4.88 atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } ::sumAvg: 4.685 atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } :: atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } atom: 1199 103E-HG3 G 2.341 ambi=2 { CG:37.93 } ::sumAvg: 4.71 atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } :: atom: 1199 103E-HG3 G 2.341 ambi=2 { CG:37.93 } atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } ::sumAvg: 4.71 atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } atom: 1261 109V-HB B 1.947 ambi=1 { CB:32.985 } ::sumAvg: 3.445 atom: 1261 109V-HB B 1.947 ambi=1 { CB:32.985 } atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } ::sumAvg: 3.445 atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } ::sumAvg: 4.915 atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } ::sumAvg: 4.915 atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } ::sumAvg: 4.995 atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } ::sumAvg: 4.63 atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } ::sumAvg: 4.63 atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } ::sumAvg: 4.505 atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } ::sumAvg: 4.505 atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } ::sumAvg: 2.16 atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } atom: 1160 99I-HD1 D1 0.457 ambi=1 { CD1:13.671 } ::sumAvg: 2.16 atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } :: atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } ::sumAvg: 4.915 atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } :: atom: 1199 103E-HG3 G 2.341 ambi=2 { CG:37.93 } atom: 1168 100G-H N 8.269 ambi=1 { N:105.45 } ::sumAvg: 4.995 atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } :: atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } ::sumAvg: 4.965 atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } :: atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } ::sumAvg: 4.965 atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } atom: 1194 103E-H N 9.319 ambi=1 { N:121.912 } ::sumAvg: 3.52 atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } atom: 1196 103E-HB2 B 2.23 ambi=2 { CB:29.365 } :: atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } atom: 1197 103E-HB3 B 2.036 ambi=2 { CB:29.365 } ::sumAvg: 2.825 atom: 1196 103E-HB2 B 2.23 ambi=2 { CB:29.365 } atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } :: atom: 1197 103E-HB3 B 2.036 ambi=2 { CB:29.365 } atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } ::sumAvg: 2.825 atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } :: atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } atom: 1199 103E-HG3 G 2.341 ambi=2 { CG:37.93 } ::sumAvg: 3.705 atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } :: atom: 1199 103E-HG3 G 2.341 ambi=2 { CG:37.93 } atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } ::sumAvg: 3.705 atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } atom: 1205 104R-H N 7.76 ambi=1 { N:120.077 } ::sumAvg: 4.045 atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } atom: 1209 104R-HG2 G 1.834 ambi=2 { CG:27.423 } :: atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } atom: 1210 104R-HG3 G 1.786 ambi=2 { CG:27.423 } ::sumAvg: 4.04 atom: 1209 104R-HG2 G 1.834 ambi=2 { CG:27.423 } atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } :: atom: 1210 104R-HG3 G 1.786 ambi=2 { CG:27.423 } atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } ::sumAvg: 4.04 atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } atom: 1211 104R-QD D 3.256 ambi=2 { CD:43.399 } ::sumAvg: 4.485 atom: 1211 104R-QD D 3.256 ambi=2 { CD:43.399 } atom: 1170 100G-QA A 3.922 ambi=2 { CA:47.284 } ::sumAvg: 4.485 atom: 1211 104R-QD D 3.256 ambi=2 { CD:43.399 } atom: 1174 101G-H N 8.143 ambi=1 { N:108.307 } ::sumAvg: 4.795 atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } atom: 1181 102L-HA A 4.256 ambi=1 { CA:57.522 } ::sumAvg: 4.4 atom: 1181 102L-HA A 4.256 ambi=1 { CA:57.522 } atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } ::sumAvg: 4.4 atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } :: atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } ::sumAvg: 4.285 atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } :: atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } ::sumAvg: 4.285 atom: 1185 102L-HD1 D1 0.584 ambi=2 { CD1:26.643 } atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } :: atom: 1186 102L-HD2 D2 0.764 ambi=2 { CD2:22.551 } atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } :: atom: 1185 102L-HD1 D1 0.584 ambi=2 { CD1:26.643 } atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } :: atom: 1186 102L-HD2 D2 0.764 ambi=2 { CD2:22.551 } atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } ::sumAvg: 4.85 atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } atom: 1194 103E-H N 9.319 ambi=1 { N:121.912 } :: atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } atom: 1194 103E-H N 9.319 ambi=1 { N:121.912 } ::sumAvg: 4.375 atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } atom: 1205 104R-H N 7.76 ambi=1 { N:120.077 } :: atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } atom: 1205 104R-H N 7.76 ambi=1 { N:120.077 } ::sumAvg: 3.455 atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } atom: 1207 104R-HB2 B 2.022 ambi=2 { CB:29.692 } :: atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } atom: 1208 104R-HB3 B 1.938 ambi=2 { CB:29.692 } :: atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } atom: 1207 104R-HB2 B 2.022 ambi=2 { CB:29.692 } :: atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } atom: 1208 104R-HB3 B 1.938 ambi=2 { CB:29.692 } ::sumAvg: 2.535 atom: 1207 104R-HB2 B 2.022 ambi=2 { CB:29.692 } atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } :: atom: 1208 104R-HB3 B 1.938 ambi=2 { CB:29.692 } atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } :: atom: 1207 104R-HB2 B 2.022 ambi=2 { CB:29.692 } atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } :: atom: 1208 104R-HB3 B 1.938 ambi=2 { CB:29.692 } atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } ::sumAvg: 2.535 atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } atom: 1209 104R-HG2 G 1.834 ambi=2 { CG:27.423 } :: atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } atom: 1210 104R-HG3 G 1.786 ambi=2 { CG:27.423 } :: atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } atom: 1209 104R-HG2 G 1.834 ambi=2 { CG:27.423 } :: atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } atom: 1210 104R-HG3 G 1.786 ambi=2 { CG:27.423 } ::sumAvg: 3.7 atom: 1209 104R-HG2 G 1.834 ambi=2 { CG:27.423 } atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } :: atom: 1210 104R-HG3 G 1.786 ambi=2 { CG:27.423 } atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } :: atom: 1209 104R-HG2 G 1.834 ambi=2 { CG:27.423 } atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } :: atom: 1210 104R-HG3 G 1.786 ambi=2 { CG:27.423 } atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } ::sumAvg: 3.7 atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } atom: 1211 104R-QD D 3.256 ambi=2 { CD:43.399 } ::sumAvg: 2.845 atom: 1211 104R-QD D 3.256 ambi=2 { CD:43.399 } atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } ::sumAvg: 2.845 atom: 1175 101G-HA2 A 3.876 ambi=2 { CA:47.132 } atom: 1219 105N-H N 6.941 ambi=1 { N:117.815 } :: atom: 1176 101G-HA3 A 3.624 ambi=2 { CA:47.132 } atom: 1219 105N-H N 6.941 ambi=1 { N:117.815 } ::sumAvg: 4.33 atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } atom: 1180 102L-H N 8.153 ambi=1 { N:121.034 } :: atom: 1199 103E-HG3 G 2.341 ambi=2 { CG:37.93 } atom: 1180 102L-H N 8.153 ambi=1 { N:121.034 } ::sumAvg: 4.73 atom: 1181 102L-HA A 4.256 ambi=1 { CA:57.522 } atom: 1194 103E-H N 9.319 ambi=1 { N:121.912 } ::sumAvg: 3.545 atom: 1181 102L-HA A 4.256 ambi=1 { CA:57.522 } atom: 1205 104R-H N 7.76 ambi=1 { N:120.077 } ::sumAvg: 4.4 atom: 1181 102L-HA A 4.256 ambi=1 { CA:57.522 } atom: 1219 105N-H N 6.941 ambi=1 { N:117.815 } ::sumAvg: 3.35 atom: 1181 102L-HA A 4.256 ambi=1 { CA:57.522 } atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } :: atom: 1181 102L-HA A 4.256 ambi=1 { CA:57.522 } atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } ::sumAvg: 2.61 atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } atom: 1181 102L-HA A 4.256 ambi=1 { CA:57.522 } :: atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } atom: 1181 102L-HA A 4.256 ambi=1 { CA:57.522 } ::sumAvg: 2.61 atom: 1181 102L-HA A 4.256 ambi=1 { CA:57.522 } atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } :: atom: 1181 102L-HA A 4.256 ambi=1 { CA:57.522 } atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } ::sumAvg: 4.205 atom: 1181 102L-HA A 4.256 ambi=1 { CA:57.522 } atom: 1239 107N-H N 7.116 ambi=1 { N:112.783 } ::sumAvg: 4.63 atom: 1241 107N-HB2 B 2.462 ambi=2 { CB:40.589 } atom: 1181 102L-HA A 4.256 ambi=1 { CA:57.522 } :: atom: 1242 107N-HB3 B 1.965 ambi=2 { CB:40.589 } atom: 1181 102L-HA A 4.256 ambi=1 { CA:57.522 } ::sumAvg: 4.345 atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } atom: 1195 103E-HA A 4.38 ambi=1 { CA:59.788 } :: atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } atom: 1195 103E-HA A 4.38 ambi=1 { CA:59.788 } ::sumAvg: 4.485 atom: 1195 103E-HA A 4.38 ambi=1 { CA:59.788 } atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } :: atom: 1195 103E-HA A 4.38 ambi=1 { CA:59.788 } atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } ::sumAvg: 4.485 atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } atom: 1196 103E-HB2 B 2.23 ambi=2 { CB:29.365 } :: atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } atom: 1197 103E-HB3 B 2.036 ambi=2 { CB:29.365 } ::sumAvg: 4.9 atom: 1196 103E-HB2 B 2.23 ambi=2 { CB:29.365 } atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } :: atom: 1197 103E-HB3 B 2.036 ambi=2 { CB:29.365 } atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } ::sumAvg: 4.9 atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } :: atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } :: atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } atom: 1199 103E-HG3 G 2.341 ambi=2 { CG:37.93 } ::sumAvg: 3.775 atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } :: atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } :: atom: 1199 103E-HG3 G 2.341 ambi=2 { CG:37.93 } atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } ::sumAvg: 3.775 atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } :: atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } :: atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } :: atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } ::sumAvg: 4.615 atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } :: atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } :: atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } :: atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } ::sumAvg: 4.615 atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } atom: 1239 107N-H N 7.116 ambi=1 { N:112.783 } :: atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } atom: 1239 107N-H N 7.116 ambi=1 { N:112.783 } ::sumAvg: 4.59 atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } :: atom: 1182 102L-HB2 B 1.966 ambi=2 { CB:42.778 } atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } :: atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } :: atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } ::sumAvg: 3.225 atom: 1261 109V-HB B 1.947 ambi=1 { CB:32.985 } atom: 1183 102L-HB3 B 0.956 ambi=2 { CB:42.778 } ::sumAvg: 4.595 atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } atom: 1194 103E-H N 9.319 ambi=1 { N:121.912 } ::sumAvg: 4.595 atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } :: atom: 1184 102L-HG G 1.856 ambi=1 { CG:26.724 } atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } ::sumAvg: 4.7 atom: 1185 102L-HD1 D1 0.584 ambi=2 { CD1:26.643 } atom: 1219 105N-H N 6.941 ambi=1 { N:117.815 } :: atom: 1186 102L-HD2 D2 0.764 ambi=2 { CD2:22.551 } atom: 1219 105N-H N 6.941 ambi=1 { N:117.815 } ::sumAvg: 4.915 atom: 1185 102L-HD1 D1 0.584 ambi=2 { CD1:26.643 } atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } :: atom: 1185 102L-HD1 D1 0.584 ambi=2 { CD1:26.643 } atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } :: atom: 1186 102L-HD2 D2 0.764 ambi=2 { CD2:22.551 } atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } :: atom: 1186 102L-HD2 D2 0.764 ambi=2 { CD2:22.551 } atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } ::sumAvg: 3.435 atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } atom: 1185 102L-HD1 D1 0.584 ambi=2 { CD1:26.643 } :: atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } atom: 1185 102L-HD1 D1 0.584 ambi=2 { CD1:26.643 } :: atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } atom: 1186 102L-HD2 D2 0.764 ambi=2 { CD2:22.551 } :: atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } atom: 1186 102L-HD2 D2 0.764 ambi=2 { CD2:22.551 } ::sumAvg: 3.435 atom: 1185 102L-HD1 D1 0.584 ambi=2 { CD1:26.643 } atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } :: atom: 1185 102L-HD1 D1 0.584 ambi=2 { CD1:26.643 } atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } :: atom: 1186 102L-HD2 D2 0.764 ambi=2 { CD2:22.551 } atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } :: atom: 1186 102L-HD2 D2 0.764 ambi=2 { CD2:22.551 } atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } ::sumAvg: 4.27 atom: 1209 104R-HG2 G 1.834 ambi=2 { CG:27.423 } atom: 1194 103E-H N 9.319 ambi=1 { N:121.912 } :: atom: 1210 104R-HG3 G 1.786 ambi=2 { CG:27.423 } atom: 1194 103E-H N 9.319 ambi=1 { N:121.912 } ::sumAvg: 4.74 atom: 1262 109V-HG1 G1 0.709 ambi=2 { CG1:22.917 } atom: 1194 103E-H N 9.319 ambi=1 { N:121.912 } :: atom: 1263 109V-HG2 G2 0.754 ambi=2 { CG2:22.765 } atom: 1194 103E-H N 9.319 ambi=1 { N:121.912 } ::sumAvg: 3.79 atom: 1195 103E-HA A 4.38 ambi=1 { CA:59.788 } atom: 1219 105N-H N 6.941 ambi=1 { N:117.815 } ::sumAvg: 4.02 atom: 1262 109V-HG1 G1 0.709 ambi=2 { CG1:22.917 } atom: 1195 103E-HA A 4.38 ambi=1 { CA:59.788 } :: atom: 1263 109V-HG2 G2 0.754 ambi=2 { CG2:22.765 } atom: 1195 103E-HA A 4.38 ambi=1 { CA:59.788 } ::sumAvg: 4.015 atom: 1196 103E-HB2 B 2.23 ambi=2 { CB:29.365 } atom: 1210 104R-HG3 G 1.786 ambi=2 { CG:27.423 } ::sumAvg: 3.8 atom: 1210 104R-HG3 G 1.786 ambi=2 { CG:27.423 } atom: 1196 103E-HB2 B 2.23 ambi=2 { CB:29.365 } ::sumAvg: 3.8 atom: 1196 103E-HB2 B 2.23 ambi=2 { CB:29.365 } atom: 1231 106D-H N 7.812 ambi=1 { N:111.755 } :: atom: 1197 103E-HB3 B 2.036 ambi=2 { CB:29.365 } atom: 1231 106D-H N 7.812 ambi=1 { N:111.755 } ::sumAvg: 4.97 atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } atom: 1259 109V-H N 9.398 ambi=1 { N:127.434 } :: atom: 1199 103E-HG3 G 2.341 ambi=2 { CG:37.93 } atom: 1259 109V-H N 9.398 ambi=1 { N:127.434 } ::sumAvg: 4.81 atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } atom: 1261 109V-HB B 1.947 ambi=1 { CB:32.985 } ::sumAvg: 4.485 atom: 1261 109V-HB B 1.947 ambi=1 { CB:32.985 } atom: 1198 103E-HG2 G 2.639 ambi=2 { CG:37.93 } ::sumAvg: 4.485 atom: 1211 104R-QD D 3.256 ambi=2 { CD:43.399 } atom: 1205 104R-H N 7.76 ambi=1 { N:120.077 } ::sumAvg: 3.925 atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } atom: 1205 104R-H N 7.76 ambi=1 { N:120.077 } :: atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } atom: 1205 104R-H N 7.76 ambi=1 { N:120.077 } ::sumAvg: 4.965 atom: 1211 104R-QD D 3.256 ambi=2 { CD:43.399 } atom: 1206 104R-HA A 4.217 ambi=1 { CA:58.738 } ::sumAvg: 4.005 atom: 1206 104R-HA A 4.217 ambi=1 { CA:58.738 } atom: 1220 105N-HA A 5.115 ambi=1 { CA:51.8 } ::sumAvg: 4.755 atom: 1220 105N-HA A 5.115 ambi=1 { CA:51.8 } atom: 1206 104R-HA A 4.217 ambi=1 { CA:58.738 } ::sumAvg: 4.755 atom: 1207 104R-HB2 B 2.022 ambi=2 { CB:29.692 } atom: 1220 105N-HA A 5.115 ambi=1 { CA:51.8 } :: atom: 1208 104R-HB3 B 1.938 ambi=2 { CB:29.692 } atom: 1220 105N-HA A 5.115 ambi=1 { CA:51.8 } ::sumAvg: 4.56 atom: 1207 104R-HB2 B 2.022 ambi=2 { CB:29.692 } atom: 1231 106D-H N 7.812 ambi=1 { N:111.755 } :: atom: 1208 104R-HB3 B 1.938 ambi=2 { CB:29.692 } atom: 1231 106D-H N 7.812 ambi=1 { N:111.755 } ::sumAvg: 4.945 atom: 1220 105N-HA A 5.115 ambi=1 { CA:51.8 } atom: 1223 105N-HD21 D2 7.889 ambi=2 { ND2:112.003 } :: atom: 1220 105N-HA A 5.115 ambi=1 { CA:51.8 } atom: 1224 105N-HD22 D2 6.499 ambi=2 { ND2:112.003 } ::sumAvg: 3.11 atom: 1220 105N-HA A 5.115 ambi=1 { CA:51.8 } atom: 1233 106D-HB2 B 3.102 ambi=2 { CB:38.257 } :: atom: 1220 105N-HA A 5.115 ambi=1 { CA:51.8 } atom: 1234 106D-HB3 B 2.889 ambi=2 { CB:38.257 } ::sumAvg: 4.42 atom: 1233 106D-HB2 B 3.102 ambi=2 { CB:38.257 } atom: 1220 105N-HA A 5.115 ambi=1 { CA:51.8 } :: atom: 1234 106D-HB3 B 2.889 ambi=2 { CB:38.257 } atom: 1220 105N-HA A 5.115 ambi=1 { CA:51.8 } ::sumAvg: 4.42 atom: 1220 105N-HA A 5.115 ambi=1 { CA:51.8 } atom: 1239 107N-H N 7.116 ambi=1 { N:112.783 } ::sumAvg: 4.97 atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } atom: 1233 106D-HB2 B 3.102 ambi=2 { CB:38.257 } :: atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } atom: 1234 106D-HB3 B 2.889 ambi=2 { CB:38.257 } :: atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } atom: 1233 106D-HB2 B 3.102 ambi=2 { CB:38.257 } ::sumAvg: 4.82 atom: 1233 106D-HB2 B 3.102 ambi=2 { CB:38.257 } atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } :: atom: 1234 106D-HB3 B 2.889 ambi=2 { CB:38.257 } atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } :: atom: 1233 106D-HB2 B 3.102 ambi=2 { CB:38.257 } atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } ::sumAvg: 4.82 atom: 1221 105N-HB2 B 3.625 ambi=2 { CB:38.166 } atom: 1239 107N-H N 7.116 ambi=1 { N:112.783 } :: atom: 1222 105N-HB3 B 2.499 ambi=2 { CB:38.166 } atom: 1239 107N-H N 7.116 ambi=1 { N:112.783 } ::sumAvg: 3.885 atom: 1232 106D-HA A 4.37 ambi=1 { CA:56.144 } atom: 1240 107N-HA A 5.311 ambi=1 { CA:52.925 } ::sumAvg: 4.49 atom: 1240 107N-HA A 5.311 ambi=1 { CA:52.925 } atom: 1232 106D-HA A 4.37 ambi=1 { CA:56.144 } ::sumAvg: 4.49 atom: 1233 106D-HB2 B 3.102 ambi=2 { CB:38.257 } atom: 1240 107N-HA A 5.311 ambi=1 { CA:52.925 } :: atom: 1234 106D-HB3 B 2.889 ambi=2 { CB:38.257 } atom: 1240 107N-HA A 5.311 ambi=1 { CA:52.925 } ::sumAvg: 4.795 atom: 1240 107N-HA A 5.311 ambi=1 { CA:52.925 } atom: 1233 106D-HB2 B 3.102 ambi=2 { CB:38.257 } :: atom: 1240 107N-HA A 5.311 ambi=1 { CA:52.925 } atom: 1234 106D-HB3 B 2.889 ambi=2 { CB:38.257 } ::sumAvg: 4.795 atom: 1240 107N-HA A 5.311 ambi=1 { CA:52.925 } atom: 1243 107N-HD21 D2 7.516 ambi=2 { ND2:113.87 } :: atom: 1240 107N-HA A 5.311 ambi=1 { CA:52.925 } atom: 1244 107N-HD22 D2 6.771 ambi=2 { ND2:113.87 } ::sumAvg: 4.33 atom: 1240 107N-HA A 5.311 ambi=1 { CA:52.925 } atom: 1251 108T-HA A 4.56 ambi=1 { CA:62.316 } ::sumAvg: 4.435 atom: 1251 108T-HA A 4.56 ambi=1 { CA:62.316 } atom: 1240 107N-HA A 5.311 ambi=1 { CA:52.925 } ::sumAvg: 4.435 atom: 1241 107N-HB2 B 2.462 ambi=2 { CB:40.589 } atom: 1251 108T-HA A 4.56 ambi=1 { CA:62.316 } :: atom: 1242 107N-HB3 B 1.965 ambi=2 { CB:40.589 } atom: 1251 108T-HA A 4.56 ambi=1 { CA:62.316 } ::sumAvg: 4.695 atom: 1251 108T-HA A 4.56 ambi=1 { CA:62.316 } atom: 1241 107N-HB2 B 2.462 ambi=2 { CB:40.589 } :: atom: 1251 108T-HA A 4.56 ambi=1 { CA:62.316 } atom: 1242 107N-HB3 B 1.965 ambi=2 { CB:40.589 } ::sumAvg: 4.695 atom: 1241 107N-HB2 B 2.462 ambi=2 { CB:40.589 } atom: 1252 108T-HB B 4.208 ambi=1 { CB:69.966 } :: atom: 1242 107N-HB3 B 1.965 ambi=2 { CB:40.589 } atom: 1252 108T-HB B 4.208 ambi=1 { CB:69.966 } ::sumAvg: 4.79 atom: 1252 108T-HB B 4.208 ambi=1 { CB:69.966 } atom: 1241 107N-HB2 B 2.462 ambi=2 { CB:40.589 } :: atom: 1252 108T-HB B 4.208 ambi=1 { CB:69.966 } atom: 1242 107N-HB3 B 1.965 ambi=2 { CB:40.589 } ::sumAvg: 4.79 atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } atom: 1250 108T-H N 8.774 ambi=1 { N:119.254 } ::sumAvg: 4.905 atom: 1262 109V-HG1 G1 0.709 ambi=2 { CG1:22.917 } atom: 1251 108T-HA A 4.56 ambi=1 { CA:62.316 } :: atom: 1263 109V-HG2 G2 0.754 ambi=2 { CG2:22.765 } atom: 1251 108T-HA A 4.56 ambi=1 { CA:62.316 } ::sumAvg: 3.465 atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } atom: 1252 108T-HB B 4.208 ambi=1 { CB:69.966 } ::sumAvg: 4.975 atom: 1253 108T-HG2 G2 1.167 ambi=1 { CG2:21.284 } atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } ::sumAvg: 3.84 atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } atom: 1253 108T-HG2 G2 1.167 ambi=1 { CG2:21.284 } ::sumAvg: 3.84 atom: 1253 108T-HG2 G2 1.167 ambi=1 { CG2:21.284 } atom: 1262 109V-HG1 G1 0.709 ambi=2 { CG1:22.917 } :: atom: 1253 108T-HG2 G2 1.167 ambi=1 { CG2:21.284 } atom: 1263 109V-HG2 G2 0.754 ambi=2 { CG2:22.765 } ::sumAvg: 4.09 atom: 1262 109V-HG1 G1 0.709 ambi=2 { CG1:22.917 } atom: 1253 108T-HG2 G2 1.167 ambi=1 { CG2:21.284 } :: atom: 1263 109V-HG2 G2 0.754 ambi=2 { CG2:22.765 } atom: 1253 108T-HG2 G2 1.167 ambi=1 { CG2:21.284 } ::sumAvg: 4.09 atom: 1253 108T-HG2 G2 1.167 ambi=1 { CG2:21.284 } atom: 1270 110R-H N 8.999 ambi=1 { N:127.83 } ::sumAvg: 4.5 atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } atom: 1253 108T-HG2 G2 1.167 ambi=1 { CG2:21.284 } ::sumAvg: 4.99 atom: 1253 108T-HG2 G2 1.167 ambi=1 { CG2:21.284 } atom: 1272 110R-HB2 B 1.838 ambi=2 { CB:33.651 } :: atom: 1253 108T-HG2 G2 1.167 ambi=1 { CG2:21.284 } atom: 1273 110R-HB3 B 1.753 ambi=2 { CB:33.651 } ::sumAvg: 4.105 atom: 1272 110R-HB2 B 1.838 ambi=2 { CB:33.651 } atom: 1253 108T-HG2 G2 1.167 ambi=1 { CG2:21.284 } :: atom: 1273 110R-HB3 B 1.753 ambi=2 { CB:33.651 } atom: 1253 108T-HG2 G2 1.167 ambi=1 { CG2:21.284 } ::sumAvg: 4.105 atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } atom: 1272 110R-HB2 B 1.838 ambi=2 { CB:33.651 } :: atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } atom: 1273 110R-HB3 B 1.753 ambi=2 { CB:33.651 } ::sumAvg: 4.53 atom: 1272 110R-HB2 B 1.838 ambi=2 { CB:33.651 } atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } :: atom: 1273 110R-HB3 B 1.753 ambi=2 { CB:33.651 } atom: 1260 109V-HA A 4.628 ambi=1 { CA:61.748 } ::sumAvg: 4.53 atom: 1261 109V-HB B 1.947 ambi=1 { CB:32.985 } atom: 1270 110R-H N 8.999 ambi=1 { N:127.83 } ::sumAvg: 3.545 atom: 1261 109V-HB B 1.947 ambi=1 { CB:32.985 } atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } ::sumAvg: 4.555 atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } atom: 1261 109V-HB B 1.947 ambi=1 { CB:32.985 } ::sumAvg: 4.555 atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } atom: 1261 109V-HB B 1.947 ambi=1 { CB:32.985 } :: atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } atom: 1261 109V-HB B 1.947 ambi=1 { CB:32.985 } ::sumAvg: 4.205 atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } atom: 1262 109V-HG1 G1 0.709 ambi=2 { CG1:22.917 } :: atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } atom: 1263 109V-HG2 G2 0.754 ambi=2 { CG2:22.765 } ::sumAvg: 3.61 atom: 1272 110R-HB2 B 1.838 ambi=2 { CB:33.651 } atom: 1262 109V-HG1 G1 0.709 ambi=2 { CG1:22.917 } :: atom: 1273 110R-HB3 B 1.753 ambi=2 { CB:33.651 } atom: 1262 109V-HG1 G1 0.709 ambi=2 { CG1:22.917 } :: atom: 1272 110R-HB2 B 1.838 ambi=2 { CB:33.651 } atom: 1263 109V-HG2 G2 0.754 ambi=2 { CG2:22.765 } :: atom: 1273 110R-HB3 B 1.753 ambi=2 { CB:33.651 } atom: 1263 109V-HG2 G2 0.754 ambi=2 { CG2:22.765 } ::sumAvg: 4.8 atom: 1262 109V-HG1 G1 0.709 ambi=2 { CG1:22.917 } atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } :: atom: 1263 109V-HG2 G2 0.754 ambi=2 { CG2:22.765 } atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } ::sumAvg: 4.675 atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } atom: 1270 110R-H N 8.999 ambi=1 { N:127.83 } ::sumAvg: 2.95 atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } atom: 1272 110R-HB2 B 1.838 ambi=2 { CB:33.651 } :: atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } atom: 1273 110R-HB3 B 1.753 ambi=2 { CB:33.651 } ::sumAvg: 2.38 atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } atom: 1275 110R-QG G 1.6305 ambi=2 { CG:27.929 } ::sumAvg: 2.38 atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } atom: 1276 110R-QD D 3.181 ambi=2 { CD:43.442 } ::sumAvg: 3.99 atom: 1276 110R-QD D 3.181 ambi=2 { CD:43.442 } atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } ::sumAvg: 3.99 atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } ::sumAvg: 2.285 atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } ::sumAvg: 4.67 atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } :: atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } ::sumAvg: 3.415 atom: 1271 110R-HA A 4.775 ambi=1 { CA:54.101 } atom: 1349 116Q-HE21 E2 7.383 ambi=1 { NE2:112.311 } ::sumAvg: 4.775 atom: 1275 110R-QG G 1.6305 ambi=2 { CG:27.929 } atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } ::sumAvg: 4.07 atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } atom: 1275 110R-QG G 1.6305 ambi=2 { CG:27.929 } ::sumAvg: 4.07 atom: 1275 110R-QG G 1.6305 ambi=2 { CG:27.929 } atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } :: atom: 1275 110R-QG G 1.6305 ambi=2 { CG:27.929 } atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } ::sumAvg: 4.255 atom: 1275 110R-QG G 1.6305 ambi=2 { CG:27.929 } atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } ::sumAvg: 4.735 atom: 1275 110R-QG G 1.6305 ambi=2 { CG:27.929 } atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } ::sumAvg: 4.145 atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } atom: 1275 110R-QG G 1.6305 ambi=2 { CG:27.929 } ::sumAvg: 4.145 atom: 1275 110R-QG G 1.6305 ambi=2 { CG:27.929 } atom: 1349 116Q-HE21 E2 7.383 ambi=1 { NE2:112.311 } :: atom: 1275 110R-QG G 1.6305 ambi=2 { CG:27.929 } atom: 1350 116Q-HE22 E2 6.943 ambi=1 { NE2:112.311 } ::sumAvg: 3.365 atom: 1276 110R-QD D 3.181 ambi=2 { CD:43.442 } atom: 1350 116Q-HE22 E2 6.943 ambi=1 { NE2:112.311 } ::sumAvg: 4.8 atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } ::sumAvg: 2.945 atom: 1347 116Q-HG2 G 2.476 ambi=2 { CG:34.184 } atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } :: atom: 1348 116Q-HG3 G 2.268 ambi=2 { CG:34.184 } atom: 1284 111V-H N 8.61 ambi=1 { N:116.851 } ::sumAvg: 4.625 atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } :: atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } ::sumAvg: 4.715 atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } :: atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } ::sumAvg: 4.715 atom: 1285 111V-HA A 4.493 ambi=1 { CA:60.79 } atom: 1349 116Q-HE21 E2 7.383 ambi=1 { NE2:112.311 } ::sumAvg: 4.6 atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } ::sumAvg: 4.57 atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } :: atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } ::sumAvg: 4.775 atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } atom: 1344 116Q-HA A 4.13 ambi=1 { CA:59.912 } ::sumAvg: 4.545 atom: 1344 116Q-HA A 4.13 ambi=1 { CA:59.912 } atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } ::sumAvg: 4.545 atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } atom: 1347 116Q-HG2 G 2.476 ambi=2 { CG:34.184 } ::sumAvg: 2.655 atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } :: atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } ::sumAvg: 4.735 atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } ::sumAvg: 4.735 atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } atom: 1401 120W-HD1 D1 7.183 ambi=1 { CD1:126.839 } ::sumAvg: 4.295 atom: 1286 111V-HB B 2.014 ambi=1 { CB:34.444 } atom: 1402 120W-HE1 E1 10.26 ambi=1 { NE1:129.059 } ::sumAvg: 4.655 atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } :: atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } ::sumAvg: 4.25 atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } :: atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } ::sumAvg: 3.69 atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } :: atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } ::sumAvg: 3.69 atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } :: atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } ::sumAvg: 2.33 atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } atom: 1344 116Q-HA A 4.13 ambi=1 { CA:59.912 } :: atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } atom: 1344 116Q-HA A 4.13 ambi=1 { CA:59.912 } ::sumAvg: 3.68 atom: 1344 116Q-HA A 4.13 ambi=1 { CA:59.912 } atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } :: atom: 1344 116Q-HA A 4.13 ambi=1 { CA:59.912 } atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } ::sumAvg: 3.68 atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } :: atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } :: atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } :: atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } ::sumAvg: 4.53 atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } :: atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } ::sumAvg: 4.74 atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } :: atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } :: atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } :: atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } ::sumAvg: 2.725 atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } atom: 1402 120W-HE1 E1 10.26 ambi=1 { NE1:129.059 } :: atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } atom: 1402 120W-HE1 E1 10.26 ambi=1 { NE1:129.059 } ::sumAvg: 3.63 atom: 1287 111V-HG1 G1 0.873 ambi=2 { CG1:22.285 } atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } :: atom: 1288 111V-HG2 G2 0.803 ambi=2 { CG2:20.505 } atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } ::sumAvg: 3.875 atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } :: atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } ::sumAvg: 3.25 atom: 1333 115L-HG G 1.629 ambi=1 { CG:27.486 } atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } ::sumAvg: 4.22 atom: 1347 116Q-HG2 G 2.476 ambi=2 { CG:34.184 } atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } :: atom: 1348 116Q-HG3 G 2.268 ambi=2 { CG:34.184 } atom: 1295 112S-H N 7.958 ambi=1 { N:121.855 } ::sumAvg: 4.665 atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } atom: 1320 114T-H N 8.032 ambi=1 { N:110.723 } ::sumAvg: 4.165 atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } atom: 1329 115L-H N 8.218 ambi=1 { N:126.091 } ::sumAvg: 4.665 atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } :: atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } ::sumAvg: 4.615 atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } :: atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } ::sumAvg: 4.615 atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } :: atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } ::sumAvg: 4.55 atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } :: atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } ::sumAvg: 4.55 atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } atom: 1347 116Q-HG2 G 2.476 ambi=2 { CG:34.184 } :: atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } atom: 1348 116Q-HG3 G 2.268 ambi=2 { CG:34.184 } ::sumAvg: 4.665 atom: 1347 116Q-HG2 G 2.476 ambi=2 { CG:34.184 } atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } :: atom: 1348 116Q-HG3 G 2.268 ambi=2 { CG:34.184 } atom: 1296 112S-HA A 4.394 ambi=1 { CA:58.89 } ::sumAvg: 4.665 atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 1305 113K-HB2 B 1.982 ambi=2 { CB:32.225 } :: atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 1306 113K-HB3 B 1.946 ambi=2 { CB:32.225 } ::sumAvg: 4.845 atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 1323 114T-HG2 G2 1.487 ambi=1 { CG2:23.729 } ::sumAvg: 4.175 atom: 1323 114T-HG2 G2 1.487 ambi=1 { CG2:23.729 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } ::sumAvg: 4.175 atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 1329 115L-H N 8.218 ambi=1 { N:126.091 } ::sumAvg: 3.145 atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } :: atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } ::sumAvg: 3.23 atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } :: atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } ::sumAvg: 3.23 atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 1333 115L-HG G 1.629 ambi=1 { CG:27.486 } ::sumAvg: 3.21 atom: 1333 115L-HG G 1.629 ambi=1 { CG:27.486 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } ::sumAvg: 3.21 atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } :: atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } ::sumAvg: 2.73 atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } :: atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } ::sumAvg: 2.73 atom: 1297 112S-QB B 4.406 ambi=2 { CB:64.449 } atom: 1343 116Q-H N 8.685 ambi=1 { N:119.008 } ::sumAvg: 4.605 atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } atom: 1303 113K-H N 9.079 ambi=1 { N:120.87 } :: atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } atom: 1303 113K-H N 9.079 ambi=1 { N:120.87 } ::sumAvg: 4.915 atom: 1347 116Q-HG2 G 2.476 ambi=2 { CG:34.184 } atom: 1303 113K-H N 9.079 ambi=1 { N:120.87 } :: atom: 1348 116Q-HG3 G 2.268 ambi=2 { CG:34.184 } atom: 1303 113K-H N 9.079 ambi=1 { N:120.87 } ::sumAvg: 4.51 atom: 1304 113K-HA A 4.06 ambi=1 { CA:59.548 } atom: 1311 113K-QE E 3.05 ambi=2 { CE:42.148 } ::sumAvg: 4.59 atom: 1311 113K-QE E 3.05 ambi=2 { CE:42.148 } atom: 1304 113K-HA A 4.06 ambi=1 { CA:59.548 } ::sumAvg: 4.59 atom: 1304 113K-HA A 4.06 ambi=1 { CA:59.548 } atom: 1323 114T-HG2 G2 1.487 ambi=1 { CG2:23.729 } ::sumAvg: 4.955 atom: 1323 114T-HG2 G2 1.487 ambi=1 { CG2:23.729 } atom: 1304 113K-HA A 4.06 ambi=1 { CA:59.548 } ::sumAvg: 4.955 atom: 1304 113K-HA A 4.06 ambi=1 { CA:59.548 } atom: 1329 115L-H N 8.218 ambi=1 { N:126.091 } ::sumAvg: 4.555 atom: 1304 113K-HA A 4.06 ambi=1 { CA:59.548 } atom: 1343 116Q-H N 8.685 ambi=1 { N:119.008 } ::sumAvg: 3.39 atom: 1347 116Q-HG2 G 2.476 ambi=2 { CG:34.184 } atom: 1304 113K-HA A 4.06 ambi=1 { CA:59.548 } :: atom: 1348 116Q-HG3 G 2.268 ambi=2 { CG:34.184 } atom: 1304 113K-HA A 4.06 ambi=1 { CA:59.548 } ::sumAvg: 3.115 atom: 1304 113K-HA A 4.06 ambi=1 { CA:59.548 } atom: 1349 116Q-HE21 E2 7.383 ambi=1 { NE2:112.311 } :: atom: 1304 113K-HA A 4.06 ambi=1 { CA:59.548 } atom: 1350 116Q-HE22 E2 6.943 ambi=1 { NE2:112.311 } ::sumAvg: 4.15 atom: 1305 113K-HB2 B 1.982 ambi=2 { CB:32.225 } atom: 1311 113K-QE E 3.05 ambi=2 { CE:42.148 } :: atom: 1306 113K-HB3 B 1.946 ambi=2 { CB:32.225 } atom: 1311 113K-QE E 3.05 ambi=2 { CE:42.148 } ::sumAvg: 3.945 atom: 1305 113K-HB2 B 1.982 ambi=2 { CB:32.225 } atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } :: atom: 1306 113K-HB3 B 1.946 ambi=2 { CB:32.225 } atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } ::sumAvg: 4.31 atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } atom: 1305 113K-HB2 B 1.982 ambi=2 { CB:32.225 } :: atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } atom: 1306 113K-HB3 B 1.946 ambi=2 { CB:32.225 } ::sumAvg: 4.31 atom: 1305 113K-HB2 B 1.982 ambi=2 { CB:32.225 } atom: 1323 114T-HG2 G2 1.487 ambi=1 { CG2:23.729 } :: atom: 1306 113K-HB3 B 1.946 ambi=2 { CB:32.225 } atom: 1323 114T-HG2 G2 1.487 ambi=1 { CG2:23.729 } ::sumAvg: 3.215 atom: 1307 113K-HG2 G 1.666 ambi=2 { CG:25.404 } atom: 1320 114T-H N 8.032 ambi=1 { N:110.723 } :: atom: 1308 113K-HG3 G 1.591 ambi=2 { CG:25.404 } atom: 1320 114T-H N 8.032 ambi=1 { N:110.723 } ::sumAvg: 4.22 atom: 1307 113K-HG2 G 1.666 ambi=2 { CG:25.404 } atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } :: atom: 1307 113K-HG2 G 1.666 ambi=2 { CG:25.404 } atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } :: atom: 1308 113K-HG3 G 1.591 ambi=2 { CG:25.404 } atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } :: atom: 1308 113K-HG3 G 1.591 ambi=2 { CG:25.404 } atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } ::sumAvg: 4.13 atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } atom: 1307 113K-HG2 G 1.666 ambi=2 { CG:25.404 } :: atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } atom: 1307 113K-HG2 G 1.666 ambi=2 { CG:25.404 } :: atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } atom: 1308 113K-HG3 G 1.591 ambi=2 { CG:25.404 } :: atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } atom: 1308 113K-HG3 G 1.591 ambi=2 { CG:25.404 } ::sumAvg: 4.13 atom: 1309 113K-QD D 1.751 ambi=2 { CD:29.091 } atom: 1320 114T-H N 8.032 ambi=1 { N:110.723 } ::sumAvg: 4.8 atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } atom: 1320 114T-H N 8.032 ambi=1 { N:110.723 } :: atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } atom: 1320 114T-H N 8.032 ambi=1 { N:110.723 } ::sumAvg: 4.415 atom: 1333 115L-HG G 1.629 ambi=1 { CG:27.486 } atom: 1320 114T-H N 8.032 ambi=1 { N:110.723 } ::sumAvg: 4.695 atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } atom: 1320 114T-H N 8.032 ambi=1 { N:110.723 } :: atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } atom: 1320 114T-H N 8.032 ambi=1 { N:110.723 } ::sumAvg: 4.79 atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } atom: 1329 115L-H N 8.218 ambi=1 { N:126.091 } ::sumAvg: 3.56 atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } atom: 1343 116Q-H N 8.685 ambi=1 { N:119.008 } ::sumAvg: 4.46 atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } atom: 1358 117R-H N 7.714 ambi=1 { N:117.42 } ::sumAvg: 3.55 atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } atom: 1360 117R-HB2 B 1.714 ambi=2 { CB:30.404 } :: atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } atom: 1361 117R-HB3 B 1.403 ambi=2 { CB:30.404 } ::sumAvg: 3.62 atom: 1360 117R-HB2 B 1.714 ambi=2 { CB:30.404 } atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } :: atom: 1361 117R-HB3 B 1.403 ambi=2 { CB:30.404 } atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } ::sumAvg: 3.62 atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } atom: 1362 117R-HG2 G 1.023 ambi=2 { CG:26.413 } :: atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } atom: 1363 117R-HG3 G 0.693 ambi=2 { CG:26.413 } ::sumAvg: 3.77 atom: 1362 117R-HG2 G 1.023 ambi=2 { CG:26.413 } atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } :: atom: 1363 117R-HG3 G 0.693 ambi=2 { CG:26.413 } atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } ::sumAvg: 3.77 atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } atom: 1364 117R-HD2 D 2.811 ambi=2 { CD:43.261 } :: atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } atom: 1365 117R-HD3 D 2.628 ambi=2 { CD:43.261 } ::sumAvg: 4.365 atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } atom: 1372 118F-H N 8.401 ambi=1 { N:112.839 } ::sumAvg: 4.235 atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } :: atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } ::sumAvg: 4.865 atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } ::sumAvg: 4.865 atom: 1321 114T-HA A 4.168 ambi=1 { CA:64.455 } atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } ::sumAvg: 3.71 atom: 1322 114T-HB B 4.554 ambi=1 { CB:66.973 } atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } ::sumAvg: 4.595 atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } atom: 1322 114T-HB B 4.554 ambi=1 { CB:66.973 } ::sumAvg: 4.595 atom: 1322 114T-HB B 4.554 ambi=1 { CB:66.973 } atom: 1333 115L-HG G 1.629 ambi=1 { CG:27.486 } ::sumAvg: 4.6 atom: 1333 115L-HG G 1.629 ambi=1 { CG:27.486 } atom: 1322 114T-HB B 4.554 ambi=1 { CB:66.973 } ::sumAvg: 4.6 atom: 1322 114T-HB B 4.554 ambi=1 { CB:66.973 } atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } :: atom: 1322 114T-HB B 4.554 ambi=1 { CB:66.973 } atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } ::sumAvg: 4.68 atom: 1322 114T-HB B 4.554 ambi=1 { CB:66.973 } atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } :: atom: 1322 114T-HB B 4.554 ambi=1 { CB:66.973 } atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } ::sumAvg: 4.81 atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } atom: 1329 115L-H N 8.218 ambi=1 { N:126.091 } :: atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } atom: 1329 115L-H N 8.218 ambi=1 { N:126.091 } ::sumAvg: 4.655 atom: 1347 116Q-HG2 G 2.476 ambi=2 { CG:34.184 } atom: 1329 115L-H N 8.218 ambi=1 { N:126.091 } :: atom: 1348 116Q-HG3 G 2.268 ambi=2 { CG:34.184 } atom: 1329 115L-H N 8.218 ambi=1 { N:126.091 } ::sumAvg: 4.465 atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } :: atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } ::sumAvg: 3.35 atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } ::sumAvg: 3.35 atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } ::sumAvg: 4.005 atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } ::sumAvg: 2.92 atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } ::sumAvg: 3.615 atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } :: atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } ::sumAvg: 4.675 atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1330 115L-HA A 3.964 ambi=1 { CA:58.555 } ::sumAvg: 4.675 atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } atom: 1344 116Q-HA A 4.13 ambi=1 { CA:59.912 } :: atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } atom: 1344 116Q-HA A 4.13 ambi=1 { CA:59.912 } ::sumAvg: 4.33 atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } :: atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } ::sumAvg: 4.805 atom: 1347 116Q-HG2 G 2.476 ambi=2 { CG:34.184 } atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } :: atom: 1348 116Q-HG3 G 2.268 ambi=2 { CG:34.184 } atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } ::sumAvg: 3.8 atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } atom: 1358 117R-H N 7.714 ambi=1 { N:117.42 } :: atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } atom: 1358 117R-H N 7.714 ambi=1 { N:117.42 } ::sumAvg: 4.985 atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } :: atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } ::sumAvg: 4.585 atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } ::sumAvg: 3.535 atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } ::sumAvg: 3.535 atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } :: atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } ::sumAvg: 3.615 atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } :: atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } :: atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } :: atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } ::sumAvg: 3.125 atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } :: atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } ::sumAvg: 3.125 atom: 1331 115L-HB2 B 2.265 ambi=2 { CB:42.912 } atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } :: atom: 1332 115L-HB3 B 1.021 ambi=2 { CB:42.912 } atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } ::sumAvg: 4.875 atom: 1333 115L-HG G 1.629 ambi=1 { CG:27.486 } atom: 1343 116Q-H N 8.685 ambi=1 { N:119.008 } ::sumAvg: 4.495 atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } :: atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } ::sumAvg: 3.92 atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1334 115L-HD1 D1 0.702 ambi=2 { CD1:25.162 } :: atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1335 115L-HD2 D2 0.321 ambi=2 { CD2:23.115 } ::sumAvg: 4.515 atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1343 116Q-H N 8.685 ambi=1 { N:119.008 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1343 116Q-H N 8.685 ambi=1 { N:119.008 } ::sumAvg: 4.02 atom: 1344 116Q-HA A 4.13 ambi=1 { CA:59.912 } atom: 1372 118F-H N 8.401 ambi=1 { N:112.839 } ::sumAvg: 4.625 atom: 1344 116Q-HA A 4.13 ambi=1 { CA:59.912 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } ::sumAvg: 4.68 atom: 1344 116Q-HA A 4.13 ambi=1 { CA:59.912 } atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } ::sumAvg: 4.56 atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1344 116Q-HA A 4.13 ambi=1 { CA:59.912 } ::sumAvg: 4.56 atom: 1344 116Q-HA A 4.13 ambi=1 { CA:59.912 } atom: 1401 120W-HD1 D1 7.183 ambi=1 { CD1:126.839 } ::sumAvg: 2.99 atom: 1344 116Q-HA A 4.13 ambi=1 { CA:59.912 } atom: 1417 121G-H N 7.897 ambi=1 { N:109.129 } ::sumAvg: 4.195 atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } atom: 1349 116Q-HE21 E2 7.383 ambi=1 { NE2:112.311 } :: atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } atom: 1350 116Q-HE22 E2 6.943 ambi=1 { NE2:112.311 } :: atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } atom: 1349 116Q-HE21 E2 7.383 ambi=1 { NE2:112.311 } :: atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } atom: 1350 116Q-HE22 E2 6.943 ambi=1 { NE2:112.311 } ::sumAvg: 3.995 atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } atom: 1359 117R-HA A 3.963 ambi=1 { CA:58.94 } :: atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } atom: 1359 117R-HA A 3.963 ambi=1 { CA:58.94 } ::sumAvg: 4.235 atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } atom: 1360 117R-HB2 B 1.714 ambi=2 { CB:30.404 } :: atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } atom: 1361 117R-HB3 B 1.403 ambi=2 { CB:30.404 } :: atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } atom: 1360 117R-HB2 B 1.714 ambi=2 { CB:30.404 } :: atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } atom: 1361 117R-HB3 B 1.403 ambi=2 { CB:30.404 } ::sumAvg: 4.25 atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } :: atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } :: atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } :: atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } ::sumAvg: 4.04 atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } :: atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } ::sumAvg: 4.04 atom: 1345 116Q-HB2 B 2.222 ambi=2 { CB:28.884 } atom: 1401 120W-HD1 D1 7.183 ambi=1 { CD1:126.839 } :: atom: 1346 116Q-HB3 B 2.145 ambi=2 { CB:28.884 } atom: 1401 120W-HD1 D1 7.183 ambi=1 { CD1:126.839 } ::sumAvg: 3.97 atom: 1347 116Q-HG2 G 2.476 ambi=2 { CG:34.184 } atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } :: atom: 1347 116Q-HG2 G 2.476 ambi=2 { CG:34.184 } atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } :: atom: 1348 116Q-HG3 G 2.268 ambi=2 { CG:34.184 } atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } :: atom: 1348 116Q-HG3 G 2.268 ambi=2 { CG:34.184 } atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } ::sumAvg: 3.56 atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1347 116Q-HG2 G 2.476 ambi=2 { CG:34.184 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1347 116Q-HG2 G 2.476 ambi=2 { CG:34.184 } :: atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1348 116Q-HG3 G 2.268 ambi=2 { CG:34.184 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1348 116Q-HG3 G 2.268 ambi=2 { CG:34.184 } ::sumAvg: 3.56 atom: 1347 116Q-HG2 G 2.476 ambi=2 { CG:34.184 } atom: 1401 120W-HD1 D1 7.183 ambi=1 { CD1:126.839 } :: atom: 1348 116Q-HG3 G 2.268 ambi=2 { CG:34.184 } atom: 1401 120W-HD1 D1 7.183 ambi=1 { CD1:126.839 } ::sumAvg: 2.88 atom: 1347 116Q-HG2 G 2.476 ambi=2 { CG:34.184 } atom: 1402 120W-HE1 E1 10.26 ambi=1 { NE1:129.059 } :: atom: 1348 116Q-HG3 G 2.268 ambi=2 { CG:34.184 } atom: 1402 120W-HE1 E1 10.26 ambi=1 { NE1:129.059 } ::sumAvg: 4.52 atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 1358 117R-H N 7.714 ambi=1 { N:117.42 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 1358 117R-H N 7.714 ambi=1 { N:117.42 } ::sumAvg: 4.635 atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1358 117R-H N 7.714 ambi=1 { N:117.42 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1358 117R-H N 7.714 ambi=1 { N:117.42 } ::sumAvg: 4.945 atom: 1359 117R-HA A 3.963 ambi=1 { CA:58.94 } atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } ::sumAvg: 4.675 atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 1359 117R-HA A 3.963 ambi=1 { CA:58.94 } ::sumAvg: 4.675 atom: 1360 117R-HB2 B 1.714 ambi=2 { CB:30.404 } atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } :: atom: 1361 117R-HB3 B 1.403 ambi=2 { CB:30.404 } atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } ::sumAvg: 4.43 atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 1360 117R-HB2 B 1.714 ambi=2 { CB:30.404 } :: atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 1361 117R-HB3 B 1.403 ambi=2 { CB:30.404 } ::sumAvg: 4.43 atom: 1360 117R-HB2 B 1.714 ambi=2 { CB:30.404 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } :: atom: 1361 117R-HB3 B 1.403 ambi=2 { CB:30.404 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } ::sumAvg: 4.425 atom: 1360 117R-HB2 B 1.714 ambi=2 { CB:30.404 } atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } :: atom: 1361 117R-HB3 B 1.403 ambi=2 { CB:30.404 } atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } ::sumAvg: 4.97 atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 1362 117R-HG2 G 1.023 ambi=2 { CG:26.413 } :: atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 1363 117R-HG3 G 0.693 ambi=2 { CG:26.413 } ::sumAvg: 3.945 atom: 1362 117R-HG2 G 1.023 ambi=2 { CG:26.413 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } :: atom: 1363 117R-HG3 G 0.693 ambi=2 { CG:26.413 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } ::sumAvg: 4.325 atom: 1362 117R-HG2 G 1.023 ambi=2 { CG:26.413 } atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } :: atom: 1363 117R-HG3 G 0.693 ambi=2 { CG:26.413 } atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } ::sumAvg: 4.55 atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 1364 117R-HD2 D 2.811 ambi=2 { CD:43.261 } :: atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 1365 117R-HD3 D 2.628 ambi=2 { CD:43.261 } ::sumAvg: 3.945 atom: 1364 117R-HD2 D 2.811 ambi=2 { CD:43.261 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } :: atom: 1365 117R-HD3 D 2.628 ambi=2 { CD:43.261 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } ::sumAvg: 4.075 atom: 1364 117R-HD2 D 2.811 ambi=2 { CD:43.261 } atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } :: atom: 1365 117R-HD3 D 2.628 ambi=2 { CD:43.261 } atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } ::sumAvg: 4.045 atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 1372 118F-H N 8.401 ambi=1 { N:112.839 } ::sumAvg: 2.925 atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } atom: 1372 118F-H N 8.401 ambi=1 { N:112.839 } ::sumAvg: 4.325 atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } :: atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } ::sumAvg: 2.585 atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 1376 118F-QD D 7.465 ambi=3 { CD1:131.963 } ::sumAvg: 2.3 atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 1378 118F-QE E 6.887 ambi=3 { CE1:130.741 } ::sumAvg: 4.365 atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } ::sumAvg: 3.585 atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } ::sumAvg: 4.855 atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } atom: 1373 118F-HA A 4.816 ambi=1 { CA:60.188 } ::sumAvg: 4.855 atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } ::sumAvg: 2.66 atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 1391 119A-HA A 4.669 ambi=1 { CA:53.548 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 1391 119A-HA A 4.669 ambi=1 { CA:53.548 } ::sumAvg: 4.245 atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } ::sumAvg: 3.525 atom: 1374 118F-HB2 B 3.166 ambi=2 { CB:40.15 } atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } :: atom: 1375 118F-HB3 B 2.874 ambi=2 { CB:40.15 } atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } ::sumAvg: 4.735 atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } ::sumAvg: 4.905 atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1390 119A-H N 8.544 ambi=1 { N:120.88 } ::sumAvg: 4.34 atom: 1391 119A-HA A 4.669 ambi=1 { CA:53.548 } atom: 1417 121G-H N 7.897 ambi=1 { N:109.129 } ::sumAvg: 4.66 atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } ::sumAvg: 3.705 atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } ::sumAvg: 3.705 atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } ::sumAvg: 3.58 atom: 1392 119A-HB B 0.961 ambi=1 { CB:20.154 } atom: 1417 121G-H N 7.897 ambi=1 { N:109.129 } ::sumAvg: 4.545 atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } ::sumAvg: 2.865 atom: 1418 121G-HA2 A 4.037 ambi=2 { CA:45.707 } atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } :: atom: 1419 121G-HA3 A 4.027 ambi=2 { CA:45.707 } atom: 1397 120W-H N 7.993 ambi=1 { N:117.341 } ::sumAvg: 4.99 atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } :: atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } ::sumAvg: 2.53 atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1401 120W-HD1 D1 7.183 ambi=1 { CD1:126.839 } ::sumAvg: 4.315 atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1403 120W-HE3 E3 7.519 ambi=1 { CE3:120.9 } ::sumAvg: 2.685 atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1405 120W-HZ3 Z3 7.031 ambi=1 { CZ3:121.47 } ::sumAvg: 4.785 atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1417 121G-H N 7.897 ambi=1 { N:109.129 } ::sumAvg: 2.98 atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1418 121G-HA2 A 4.037 ambi=2 { CA:45.707 } :: atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } atom: 1419 121G-HA3 A 4.027 ambi=2 { CA:45.707 } ::sumAvg: 4.67 atom: 1418 121G-HA2 A 4.037 ambi=2 { CA:45.707 } atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } :: atom: 1419 121G-HA3 A 4.027 ambi=2 { CA:45.707 } atom: 1398 120W-HA A 4.79 ambi=1 { CA:58.312 } ::sumAvg: 4.67 atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1402 120W-HE1 E1 10.26 ambi=1 { NE1:129.059 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1402 120W-HE1 E1 10.26 ambi=1 { NE1:129.059 } ::sumAvg: 4.765 atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1417 121G-H N 7.897 ambi=1 { N:109.129 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1417 121G-H N 7.897 ambi=1 { N:109.129 } ::sumAvg: 3.35 atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1418 121G-HA2 A 4.037 ambi=2 { CA:45.707 } :: atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } atom: 1419 121G-HA3 A 4.027 ambi=2 { CA:45.707 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1418 121G-HA2 A 4.037 ambi=2 { CA:45.707 } :: atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } atom: 1419 121G-HA3 A 4.027 ambi=2 { CA:45.707 } ::sumAvg: 4.575 atom: 1418 121G-HA2 A 4.037 ambi=2 { CA:45.707 } atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } :: atom: 1419 121G-HA3 A 4.027 ambi=2 { CA:45.707 } atom: 1399 120W-HB2 B 3.253 ambi=2 { CB:31.34 } :: atom: 1418 121G-HA2 A 4.037 ambi=2 { CA:45.707 } atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } :: atom: 1419 121G-HA3 A 4.027 ambi=2 { CA:45.707 } atom: 1400 120W-HB3 B 3.147 ambi=2 { CB:31.34 } ::sumAvg: 4.575 atom: 1418 121G-HA2 A 4.037 ambi=2 { CA:45.707 } atom: 1401 120W-HD1 D1 7.183 ambi=1 { CD1:126.839 } :: atom: 1419 121G-HA3 A 4.027 ambi=2 { CA:45.707 } atom: 1401 120W-HD1 D1 7.183 ambi=1 { CD1:126.839 } ::sumAvg: 4.565 atom: 1418 121G-HA2 A 4.037 ambi=2 { CA:45.707 } atom: 1423 122S-H N 8.084 ambi=1 { N:114.409 } :: atom: 1419 121G-HA3 A 4.027 ambi=2 { CA:45.707 } atom: 1423 122S-H N 8.084 ambi=1 { N:114.409 } ::sumAvg: 2.66 atom: 1424 122S-HA A 4.52 ambi=1 { CA:58.082 } atom: 1418 121G-HA2 A 4.037 ambi=2 { CA:45.707 } :: atom: 1424 122S-HA A 4.52 ambi=1 { CA:58.082 } atom: 1419 121G-HA3 A 4.027 ambi=2 { CA:45.707 } ::sumAvg: 4.46 atom: 1418 121G-HA2 A 4.037 ambi=2 { CA:45.707 } atom: 1431 123S-H N 8.473 ambi=1 { N:117.632 } :: atom: 1419 121G-HA3 A 4.027 ambi=2 { CA:45.707 } atom: 1431 123S-H N 8.473 ambi=1 { N:117.632 } ::sumAvg: 4.855 atom: 1432 123S-HA A 4.492 ambi=1 { CA:58.277 } atom: 1441 124N-HB2 B 2.832 ambi=2 { CB:38.992 } :: atom: 1432 123S-HA A 4.492 ambi=1 { CA:58.277 } atom: 1442 124N-HB3 B 2.712 ambi=2 { CB:38.992 } ::sumAvg: 4.975 atom: 1441 124N-HB2 B 2.832 ambi=2 { CB:38.992 } atom: 1432 123S-HA A 4.492 ambi=1 { CA:58.277 } :: atom: 1442 124N-HB3 B 2.712 ambi=2 { CB:38.992 } atom: 1432 123S-HA A 4.492 ambi=1 { CA:58.277 } ::sumAvg: 4.975 atom: 1433 123S-HB2 B 3.881 ambi=2 { CB:64.005 } atom: 1440 124N-HA A 4.716 ambi=1 { CA:53.479 } :: atom: 1434 123S-HB3 B 3.837 ambi=2 { CB:64.005 } atom: 1440 124N-HA A 4.716 ambi=1 { CA:53.479 } ::sumAvg: 4.91 atom: 1440 124N-HA A 4.716 ambi=1 { CA:53.479 } atom: 1439 124N-H N 8.486 ambi=1 { N:120.328 } ::sumAvg: 2.605 atom: 1440 124N-HA A 4.716 ambi=1 { CA:53.479 } atom: 1443 124N-HD21 D2 7.58 ambi=1 { ND2:112.846 } :: atom: 1440 124N-HA A 4.716 ambi=1 { CA:53.479 } atom: 1444 124N-HD22 D2 6.909 ambi=1 { ND2:112.846 } ::sumAvg: 4.335 atom: 1440 124N-HA A 4.716 ambi=1 { CA:53.479 } atom: 1452 125E-HA A 4.237 ambi=1 { CA:57.26 } ::sumAvg: 4.575 atom: 1452 125E-HA A 4.237 ambi=1 { CA:57.26 } atom: 1440 124N-HA A 4.716 ambi=1 { CA:53.479 } ::sumAvg: 4.575 atom: 1440 124N-HA A 4.716 ambi=1 { CA:53.479 } atom: 1453 125E-HB2 B 2.055 ambi=2 { CB:29.983 } :: atom: 1440 124N-HA A 4.716 ambi=1 { CA:53.479 } atom: 1454 125E-HB3 B 1.914 ambi=2 { CB:29.983 } ::sumAvg: 4.885 atom: 1453 125E-HB2 B 2.055 ambi=2 { CB:29.983 } atom: 1440 124N-HA A 4.716 ambi=1 { CA:53.479 } :: atom: 1454 125E-HB3 B 1.914 ambi=2 { CB:29.983 } atom: 1440 124N-HA A 4.716 ambi=1 { CA:53.479 } ::sumAvg: 4.885 atom: 1441 124N-HB2 B 2.832 ambi=2 { CB:38.992 } atom: 1452 125E-HA A 4.237 ambi=1 { CA:57.26 } :: atom: 1442 124N-HB3 B 2.712 ambi=2 { CB:38.992 } atom: 1452 125E-HA A 4.237 ambi=1 { CA:57.26 } ::sumAvg: 4.78 atom: 1452 125E-HA A 4.237 ambi=1 { CA:57.26 } atom: 1441 124N-HB2 B 2.832 ambi=2 { CB:38.992 } :: atom: 1452 125E-HA A 4.237 ambi=1 { CA:57.26 } atom: 1442 124N-HB3 B 2.712 ambi=2 { CB:38.992 } ::sumAvg: 4.78 atom: 1453 125E-HB2 B 2.055 ambi=2 { CB:29.983 } atom: 1451 125E-H N 8.516 ambi=1 { N:121.392 } :: atom: 1454 125E-HB3 B 1.914 ambi=2 { CB:29.983 } atom: 1451 125E-H N 8.516 ambi=1 { N:121.392 } ::sumAvg: 2.67 atom: 1455 125E-QG G 2.233 ambi=2 { CG:36.257 } atom: 1451 125E-H N 8.516 ambi=1 { N:121.392 } ::sumAvg: 3.225 atom: 1452 125E-HA A 4.237 ambi=1 { CA:57.26 } atom: 1463 126N-HA A 4.687 ambi=1 { CA:53.469 } ::sumAvg: 4.565 atom: 1463 126N-HA A 4.687 ambi=1 { CA:53.469 } atom: 1452 125E-HA A 4.237 ambi=1 { CA:57.26 } ::sumAvg: 4.565 atom: 1453 125E-HB2 B 2.055 ambi=2 { CB:29.983 } atom: 1462 126N-H N 8.419 ambi=1 { N:118.622 } :: atom: 1454 125E-HB3 B 1.914 ambi=2 { CB:29.983 } atom: 1462 126N-H N 8.419 ambi=1 { N:118.622 } ::sumAvg: 3.11 atom: 1453 125E-HB2 B 2.055 ambi=2 { CB:29.983 } atom: 1463 126N-HA A 4.687 ambi=1 { CA:53.469 } :: atom: 1454 125E-HB3 B 1.914 ambi=2 { CB:29.983 } atom: 1463 126N-HA A 4.687 ambi=1 { CA:53.469 } ::sumAvg: 4.725 atom: 1463 126N-HA A 4.687 ambi=1 { CA:53.469 } atom: 1453 125E-HB2 B 2.055 ambi=2 { CB:29.983 } :: atom: 1463 126N-HA A 4.687 ambi=1 { CA:53.469 } atom: 1454 125E-HB3 B 1.914 ambi=2 { CB:29.983 } ::sumAvg: 4.725 atom: 1453 125E-HB2 B 2.055 ambi=2 { CB:29.983 } atom: 1474 127G-H N 8.266 ambi=1 { N:108.671 } :: atom: 1454 125E-HB3 B 1.914 ambi=2 { CB:29.983 } atom: 1474 127G-H N 8.266 ambi=1 { N:108.671 } ::sumAvg: 4.92 atom: 1455 125E-QG G 2.233 ambi=2 { CG:36.257 } atom: 1462 126N-H N 8.419 ambi=1 { N:118.622 } ::sumAvg: 3.515 atom: 1455 125E-QG G 2.233 ambi=2 { CG:36.257 } atom: 1463 126N-HA A 4.687 ambi=1 { CA:53.469 } ::sumAvg: 4.89 atom: 1463 126N-HA A 4.687 ambi=1 { CA:53.469 } atom: 1455 125E-QG G 2.233 ambi=2 { CG:36.257 } ::sumAvg: 4.89 atom: 1463 126N-HA A 4.687 ambi=1 { CA:53.469 } atom: 1462 126N-H N 8.419 ambi=1 { N:118.622 } ::sumAvg: 2.91 atom: 1475 127G-QA A 3.923 ambi=2 { CA:45.471 } atom: 1462 126N-H N 8.419 ambi=1 { N:118.622 } ::sumAvg: 4.31 atom: 1463 126N-HA A 4.687 ambi=1 { CA:53.469 } atom: 1466 126N-HD21 D2 7.592 ambi=1 { ND2:112.85 } :: atom: 1463 126N-HA A 4.687 ambi=1 { CA:53.469 } atom: 1467 126N-HD22 D2 6.912 ambi=1 { ND2:112.85 } ::sumAvg: 4.35 atom: 1475 127G-QA A 3.923 ambi=2 { CA:45.471 } atom: 1463 126N-HA A 4.687 ambi=1 { CA:53.469 } ::sumAvg: 4.175 atom: 1463 126N-HA A 4.687 ambi=1 { CA:53.469 } atom: 1480 128R-H N 8.214 ambi=1 { N:121.419 } ::sumAvg: 4.85 atom: 1464 126N-HB2 B 2.832 ambi=2 { CB:38.971 } atom: 1474 127G-H N 8.266 ambi=1 { N:108.671 } :: atom: 1465 126N-HB3 B 2.807 ambi=2 { CB:38.971 } atom: 1474 127G-H N 8.266 ambi=1 { N:108.671 } ::sumAvg: 3.07 atom: 1464 126N-HB2 B 2.832 ambi=2 { CB:38.971 } atom: 1475 127G-QA A 3.923 ambi=2 { CA:45.471 } :: atom: 1465 126N-HB3 B 2.807 ambi=2 { CB:38.971 } atom: 1475 127G-QA A 3.923 ambi=2 { CA:45.471 } ::sumAvg: 4.45 atom: 1475 127G-QA A 3.923 ambi=2 { CA:45.471 } atom: 1464 126N-HB2 B 2.832 ambi=2 { CB:38.971 } :: atom: 1475 127G-QA A 3.923 ambi=2 { CA:45.471 } atom: 1465 126N-HB3 B 2.807 ambi=2 { CB:38.971 } ::sumAvg: 4.45 atom: 1484 128R-QG G 1.622 ambi=2 { CG:26.833 } atom: 1474 127G-H N 8.266 ambi=1 { N:108.671 } ::sumAvg: 4.44 atom: 1481 128R-HA A 4.592 ambi=1 { CA:53.781 } atom: 1475 127G-QA A 3.923 ambi=2 { CA:45.471 } ::sumAvg: 4.245 atom: 1475 127G-QA A 3.923 ambi=2 { CA:45.471 } atom: 1482 128R-HB2 B 1.819 ambi=2 { CB:30.276 } :: atom: 1475 127G-QA A 3.923 ambi=2 { CA:45.471 } atom: 1483 128R-HB3 B 1.71 ambi=2 { CB:30.276 } ::sumAvg: 4.485 atom: 1484 128R-QG G 1.622 ambi=2 { CG:26.833 } atom: 1475 127G-QA A 3.923 ambi=2 { CA:45.471 } ::sumAvg: 3.83 atom: 1475 127G-QA A 3.923 ambi=2 { CA:45.471 } atom: 1499 129P-HD3 D 3.518 ambi=2 { CD:50.45 } ::sumAvg: 4.72 atom: 1499 129P-HD3 D 3.518 ambi=2 { CD:50.45 } atom: 1475 127G-QA A 3.923 ambi=2 { CA:45.471 } ::sumAvg: 4.72 atom: 1486 128R-QD D 3.165 ambi=2 { CD:43.423 } atom: 1480 128R-H N 8.214 ambi=1 { N:121.419 } ::sumAvg: 4.155 atom: 1498 129P-HD2 D 3.735 ambi=2 { CD:50.45 } atom: 1480 128R-H N 8.214 ambi=1 { N:121.419 } :: atom: 1499 129P-HD3 D 3.518 ambi=2 { CD:50.45 } atom: 1480 128R-H N 8.214 ambi=1 { N:121.419 } ::sumAvg: 3.9 atom: 1498 129P-HD2 D 3.735 ambi=2 { CD:50.45 } atom: 1484 128R-QG G 1.622 ambi=2 { CG:26.833 } :: atom: 1499 129P-HD3 D 3.518 ambi=2 { CD:50.45 } atom: 1484 128R-QG G 1.622 ambi=2 { CG:26.833 } ::sumAvg: 3.935 atom: 1486 128R-QD D 3.165 ambi=2 { CD:43.423 } atom: 1498 129P-HD2 D 3.735 ambi=2 { CD:50.45 } ::sumAvg: 4.35 atom: 1498 129P-HD2 D 3.735 ambi=2 { CD:50.45 } atom: 1486 128R-QD D 3.165 ambi=2 { CD:43.423 } ::sumAvg: 4.35 atom: 1486 128R-QD D 3.165 ambi=2 { CD:43.423 } atom: 1521 131L-HD1 D1 0.876 ambi=2 { CD1:25.033 } :: atom: 1486 128R-QD D 3.165 ambi=2 { CD:43.423 } atom: 1522 131L-HD2 D2 0.823 ambi=2 { CD2:23.601 } ::sumAvg: 4.355 atom: 1521 131L-HD1 D1 0.876 ambi=2 { CD1:25.033 } atom: 1486 128R-QD D 3.165 ambi=2 { CD:43.423 } :: atom: 1522 131L-HD2 D2 0.823 ambi=2 { CD2:23.601 } atom: 1486 128R-QD D 3.165 ambi=2 { CD:43.423 } ::sumAvg: 4.355 atom: 1494 129P-HB2 B 2.199 ambi=2 { CB:30.804 } atom: 1520 131L-HG G 1.594 ambi=1 { CG:27.121 } ::sumAvg: 4.81 atom: 1520 131L-HG G 1.594 ambi=1 { CG:27.121 } atom: 1494 129P-HB2 B 2.199 ambi=2 { CB:30.804 } ::sumAvg: 4.81 atom: 1496 129P-HG2 G 1.941 ambi=2 { CG:27.248 } atom: 1521 131L-HD1 D1 0.876 ambi=2 { CD1:25.033 } :: atom: 1496 129P-HG2 G 1.941 ambi=2 { CG:27.248 } atom: 1522 131L-HD2 D2 0.823 ambi=2 { CD2:23.601 } :: atom: 1497 129P-HG3 G 1.899 ambi=2 { CG:27.248 } atom: 1521 131L-HD1 D1 0.876 ambi=2 { CD1:25.033 } :: atom: 1497 129P-HG3 G 1.899 ambi=2 { CG:27.248 } atom: 1522 131L-HD2 D2 0.823 ambi=2 { CD2:23.601 } ::sumAvg: 4.495 atom: 1509 130P-HD2 D 3.692 ambi=2 { CD:50.37 } atom: 1504 130P-HA A 4.397 ambi=1 { CA:62.881 } :: atom: 1510 130P-HD3 D 3.5 ambi=2 { CD:50.37 } atom: 1504 130P-HA A 4.397 ambi=1 { CA:62.881 } ::sumAvg: 3.665 atom: 1518 131L-HB2 B 1.604 ambi=2 { CB:42.436 } atom: 1504 130P-HA A 4.397 ambi=1 { CA:62.881 } :: atom: 1519 131L-HB3 B 1.586 ambi=2 { CB:42.436 } atom: 1504 130P-HA A 4.397 ambi=1 { CA:62.881 } ::sumAvg: 4.585 atom: 1520 131L-HG G 1.594 ambi=1 { CG:27.121 } atom: 1504 130P-HA A 4.397 ambi=1 { CA:62.881 } ::sumAvg: 3.975 atom: 1504 130P-HA A 4.397 ambi=1 { CA:62.881 } atom: 1521 131L-HD1 D1 0.876 ambi=2 { CD1:25.033 } :: atom: 1504 130P-HA A 4.397 ambi=1 { CA:62.881 } atom: 1522 131L-HD2 D2 0.823 ambi=2 { CD2:23.601 } ::sumAvg: 4.44 atom: 1521 131L-HD1 D1 0.876 ambi=2 { CD1:25.033 } atom: 1504 130P-HA A 4.397 ambi=1 { CA:62.881 } :: atom: 1522 131L-HD2 D2 0.823 ambi=2 { CD2:23.601 } atom: 1504 130P-HA A 4.397 ambi=1 { CA:62.881 } ::sumAvg: 4.44 atom: 1505 130P-HB2 B 2.224 ambi=2 { CB:31.797 } atom: 1517 131L-HA A 4.328 ambi=1 { CA:55.382 } :: atom: 1506 130P-HB3 B 1.888 ambi=2 { CB:31.797 } atom: 1517 131L-HA A 4.328 ambi=1 { CA:55.382 } ::sumAvg: 4.775 atom: 1505 130P-HB2 B 2.224 ambi=2 { CB:31.797 } atom: 1533 132T-HG2 G2 1.165 ambi=1 { CG2:21.668 } :: atom: 1506 130P-HB3 B 1.888 ambi=2 { CB:31.797 } atom: 1533 132T-HG2 G2 1.165 ambi=1 { CG2:21.668 } ::sumAvg: 4.67 atom: 1533 132T-HG2 G2 1.165 ambi=1 { CG2:21.668 } atom: 1505 130P-HB2 B 2.224 ambi=2 { CB:31.797 } :: atom: 1533 132T-HG2 G2 1.165 ambi=1 { CG2:21.668 } atom: 1506 130P-HB3 B 1.888 ambi=2 { CB:31.797 } ::sumAvg: 4.67 atom: 1507 130P-QG G 1.959 ambi=2 { CG:27.31 } atom: 1533 132T-HG2 G2 1.165 ambi=1 { CG2:21.668 } ::sumAvg: 4.875 atom: 1533 132T-HG2 G2 1.165 ambi=1 { CG2:21.668 } atom: 1507 130P-QG G 1.959 ambi=2 { CG:27.31 } ::sumAvg: 4.875 atom: 1543 133L-HG G 1.567 ambi=1 { CG:27.089 } atom: 1532 132T-HB B 4.196 ambi=1 { CB:69.925 } ::sumAvg: 3.84 atom: 1544 133L-HD1 D1 0.876 ambi=2 { CD1:25.033 } atom: 1532 132T-HB B 4.196 ambi=1 { CB:69.925 } :: atom: 1545 133L-HD2 D2 0.823 ambi=2 { CD2:23.601 } atom: 1532 132T-HB B 4.196 ambi=1 { CB:69.925 } ::sumAvg: 4.595 atom: 1533 132T-HG2 G2 1.165 ambi=1 { CG2:21.668 } atom: 1543 133L-HG G 1.567 ambi=1 { CG:27.089 } ::sumAvg: 4.85 atom: 1543 133L-HG G 1.567 ambi=1 { CG:27.089 } atom: 1533 132T-HG2 G2 1.165 ambi=1 { CG2:21.668 } ::sumAvg: 4.85 atom: 1555 134E-HB2 B 1.879 ambi=2 { CB:30.39 } atom: 1540 133L-HA A 4.321 ambi=1 { CA:55.111 } :: atom: 1556 134E-HB3 B 1.841 ambi=2 { CB:30.39 } atom: 1540 133L-HA A 4.321 ambi=1 { CA:55.111 } ::sumAvg: 4.52 atom: 1554 134E-HA A 4.172 ambi=1 { CA:56.81 } atom: 1542 133L-QB B 1.549 ambi=2 { CB:42.398 } ::sumAvg: 4.35