# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 8 3D-H N 8.636 ambi=1 { N:125.85 } atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } ::sumAvg: 2.87 atom: 8 3D-H N 8.636 ambi=1 { N:125.85 } atom: 10 3D-HB2 B 2.282 ambi=2 { CB:41.426 } :: atom: 8 3D-H N 8.636 ambi=1 { N:125.85 } atom: 11 3D-HB3 B 2.214 ambi=2 { CB:41.426 } ::sumAvg: 3.055 atom: 8 3D-H N 8.636 ambi=1 { N:125.85 } atom: 602 54K-HA A 4.324 ambi=1 { CA:58.039 } ::sumAvg: 4.345 atom: 601 54K-H N 8.335 ambi=1 { N:120.334 } atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } ::sumAvg: 4.63 atom: 8 3D-H N 8.636 ambi=1 { N:125.85 } atom: 2 2T-HB B 4.147 ambi=1 { CB:69.449 } ::sumAvg: 3.795 atom: 8 3D-H N 8.636 ambi=1 { N:125.85 } atom: 3 2T-HG2 G2 1.335 ambi=1 { CG2:21.549 } ::sumAvg: 3.295 atom: 590 53V-H N 8.865 ambi=1 { N:118.244 } atom: 18 4F-QB B 3.08 ambi=2 { CB:41.288 } ::sumAvg: 4.92 atom: 16 4F-H N 8.608 ambi=1 { N:117.566 } atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } ::sumAvg: 4.99 atom: 16 4F-H N 8.608 ambi=1 { N:117.566 } atom: 577 52F-HB3 B 3.009 ambi=1 { CB:40.52 } ::sumAvg: 4.425 atom: 16 4F-H N 8.608 ambi=1 { N:117.566 } atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } ::sumAvg: 4.81 atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } atom: 24 4F-HZ Z 6.967 ambi=1 { CZ:128.691 } ::sumAvg: 3.945 atom: 46 6A-H N 9.325 ambi=1 { N:129.53 } atom: 22 4F-QE E 7.066 ambi=3 { CE1:130.475 } ::sumAvg: 4.5 atom: 53 7G-H N 8.639 ambi=1 { N:106.888 } atom: 22 4F-QE E 7.066 ambi=3 { CE1:130.475 } ::sumAvg: 4.68 atom: 590 53V-H N 8.865 ambi=1 { N:118.244 } atom: 22 4F-QE E 7.066 ambi=3 { CE1:130.475 } ::sumAvg: 4.965 atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } atom: 22 4F-QE E 7.066 ambi=3 { CE1:130.475 } ::sumAvg: 3.25 atom: 46 6A-H N 9.325 ambi=1 { N:129.53 } atom: 32 5L-H N 8.498 ambi=1 { N:123.329 } ::sumAvg: 4.32 atom: 574 52F-H N 8.324 ambi=1 { N:120.91 } atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } ::sumAvg: 4.67 atom: 360 34R-H N 8.858 ambi=1 { N:126.537 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 360 34R-H N 8.858 ambi=1 { N:126.537 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } ::sumAvg: 4.42 atom: 560 51I-H N 9.056 ambi=1 { N:118.753 } atom: 36 5L-HG G 1.266 ambi=1 { CG:26.692 } ::sumAvg: 4.645 atom: 46 6A-H N 9.325 ambi=1 { N:129.53 } atom: 53 7G-H N 8.639 ambi=1 { N:106.888 } ::sumAvg: 4.545 atom: 46 6A-H N 9.325 ambi=1 { N:129.53 } atom: 553 50M-HE E 1.91 ambi=1 { CE:17.384 } ::sumAvg: 4.245 atom: 46 6A-H N 9.325 ambi=1 { N:129.53 } atom: 574 52F-H N 8.324 ambi=1 { N:120.91 } ::sumAvg: 4.73 atom: 574 52F-H N 8.324 ambi=1 { N:120.91 } atom: 46 6A-H N 9.325 ambi=1 { N:129.53 } ::sumAvg: 4.73 atom: 46 6A-H N 9.325 ambi=1 { N:129.53 } atom: 590 53V-H N 8.865 ambi=1 { N:118.244 } ::sumAvg: 3.715 atom: 899 78L-H N 8.252 ambi=1 { N:127.062 } atom: 62 8I-HG12 G1 1.454 ambi=1 { CG1:27.002 } ::sumAvg: 4.6 atom: 53 7G-H N 8.639 ambi=1 { N:106.888 } atom: 889 77R-QD D 3.224 ambi=2 { CD:43.565 } ::sumAvg: 4.755 atom: 53 7G-H N 8.639 ambi=1 { N:106.888 } atom: 901 78L-HB2 B 1.493 ambi=1 { CB:43.228 } ::sumAvg: 3.79 atom: 533 49L-H N 9.435 ambi=1 { N:125.541 } atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } ::sumAvg: 4.91 atom: 547 50M-H N 8.978 ambi=1 { N:123.131 } atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } ::sumAvg: 4.87 atom: 59 8I-H N 9.356 ambi=1 { N:122.82 } atom: 74 9R-HA A 5.609 ambi=1 { CA:54.192 } ::sumAvg: 4.91 atom: 59 8I-H N 9.356 ambi=1 { N:122.82 } atom: 523 48N-HA A 5.629 ambi=1 { CA:51.962 } ::sumAvg: 4.665 atom: 59 8I-H N 9.356 ambi=1 { N:122.82 } atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } ::sumAvg: 4.61 atom: 59 8I-H N 9.356 ambi=1 { N:122.82 } atom: 551 50M-HG2 G 2.518 ambi=2 { CG:32.262 } :: atom: 59 8I-H N 9.356 ambi=1 { N:122.82 } atom: 552 50M-HG3 G 2.378 ambi=2 { CG:32.262 } ::sumAvg: 4.885 atom: 59 8I-H N 9.356 ambi=1 { N:122.82 } atom: 553 50M-HE E 1.91 ambi=1 { CE:17.384 } ::sumAvg: 4.5 atom: 59 8I-H N 9.356 ambi=1 { N:122.82 } atom: 899 78L-H N 8.252 ambi=1 { N:127.062 } ::sumAvg: 4.315 atom: 533 49L-H N 9.435 ambi=1 { N:125.541 } atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } ::sumAvg: 4.81 atom: 872 76E-H N 9.029 ambi=1 { N:124.572 } atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } ::sumAvg: 4.715 atom: 883 77R-H N 8.962 ambi=1 { N:122.875 } atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } ::sumAvg: 4.945 atom: 73 9R-H N 9.364 ambi=1 { N:126.323 } atom: 61 8I-HB B 1.568 ambi=1 { CB:43.405 } ::sumAvg: 4.02 atom: 872 76E-H N 9.029 ambi=1 { N:124.572 } atom: 64 8I-HG2 G2 0.837 ambi=1 { CG2:18.861 } ::sumAvg: 3.365 atom: 883 77R-H N 8.962 ambi=1 { N:122.875 } atom: 64 8I-HG2 G2 0.837 ambi=1 { CG2:18.861 } ::sumAvg: 4.905 atom: 526 48N-HD21 D2 7.191 ambi=2 { ND2:109.781 } atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } :: atom: 527 48N-HD22 D2 6.787 ambi=2 { ND2:109.781 } atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } ::sumAvg: 4.67 atom: 73 9R-H N 9.364 ambi=1 { N:126.323 } atom: 93 10I-HG13 G1 1.112 ambi=1 { CG1:29.107 } ::sumAvg: 4.56 atom: 73 9R-H N 9.364 ambi=1 { N:126.323 } atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } ::sumAvg: 4.65 atom: 73 9R-H N 9.364 ambi=1 { N:126.323 } atom: 864 75V-HG1 G1 0.92 ambi=2 { CG1:22.169 } :: atom: 73 9R-H N 9.364 ambi=1 { N:126.323 } atom: 865 75V-HG2 G2 0.9 ambi=2 { CG2:22.497 } ::sumAvg: 4.385 atom: 73 9R-H N 9.364 ambi=1 { N:126.323 } atom: 873 76E-HA A 4.861 ambi=1 { CA:53.757 } ::sumAvg: 4.755 atom: 73 9R-H N 9.364 ambi=1 { N:126.323 } atom: 883 77R-H N 8.962 ambi=1 { N:122.875 } ::sumAvg: 4.875 atom: 883 77R-H N 8.962 ambi=1 { N:122.875 } atom: 73 9R-H N 9.364 ambi=1 { N:126.323 } ::sumAvg: 4.875 atom: 526 48N-HD21 D2 7.191 ambi=2 { ND2:109.781 } atom: 77 9R-HG2 G 1.643 ambi=2 { CG:27.615 } :: atom: 527 48N-HD22 D2 6.787 ambi=2 { ND2:109.781 } atom: 77 9R-HG2 G 1.643 ambi=2 { CG:27.615 } :: atom: 526 48N-HD21 D2 7.191 ambi=2 { ND2:109.781 } atom: 78 9R-HG3 G 1.305 ambi=2 { CG:27.615 } :: atom: 527 48N-HD22 D2 6.787 ambi=2 { ND2:109.781 } atom: 78 9R-HG3 G 1.305 ambi=2 { CG:27.615 } ::sumAvg: 4.88 atom: 89 10I-H N 9.479 ambi=1 { N:128.583 } atom: 79 9R-QD D 3.158 ambi=2 { CD:43.584 } ::sumAvg: 4.925 atom: 81 9R-HE E 7.343 ambi=1 { NE:84.728 } atom: 505 46T-HB B 4.058 ambi=1 { CB:71.38 } ::sumAvg: 4.43 atom: 81 9R-HE E 7.343 ambi=1 { NE:84.728 } atom: 506 46T-HG1 G1 5.613 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.97 atom: 89 10I-H N 9.479 ambi=1 { N:128.583 } atom: 103 11V-H N 8.581 ambi=1 { N:126.323 } ::sumAvg: 4.315 atom: 114 12G-H N 7.713 ambi=1 { N:113.216 } atom: 94 10I-HG2 G2 1.071 ambi=1 { CG2:20.391 } ::sumAvg: 3.77 atom: 103 11V-H N 8.581 ambi=1 { N:126.323 } atom: 513 47C-H N 9.619 ambi=1 { N:124.781 } ::sumAvg: 4.89 atom: 513 47C-H N 9.619 ambi=1 { N:124.781 } atom: 103 11V-H N 8.581 ambi=1 { N:126.323 } ::sumAvg: 4.89 atom: 836 73F-H N 9.522 ambi=1 { N:127.542 } atom: 103 11V-H N 8.581 ambi=1 { N:126.323 } ::sumAvg: 4.625 atom: 103 11V-H N 8.581 ambi=1 { N:126.323 } atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } ::sumAvg: 4.745 atom: 103 11V-H N 8.581 ambi=1 { N:126.323 } atom: 855 74T-HG2 G2 1.128 ambi=1 { CG2:21.877 } ::sumAvg: 3.93 atom: 114 12G-H N 7.713 ambi=1 { N:113.216 } atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } ::sumAvg: 2.11 atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } ::sumAvg: 4.785 atom: 114 12G-H N 7.713 ambi=1 { N:113.216 } atom: 120 13E-H N 8.18 ambi=1 { N:119.035 } ::sumAvg: 4.455 atom: 114 12G-H N 7.713 ambi=1 { N:113.216 } atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } ::sumAvg: 3.725 atom: 114 12G-H N 7.713 ambi=1 { N:113.216 } atom: 495 45F-HZ Z 6.774 ambi=1 { CZ:127.768 } ::sumAvg: 4.27 atom: 114 12G-H N 7.713 ambi=1 { N:113.216 } atom: 513 47C-H N 9.619 ambi=1 { N:124.781 } ::sumAvg: 4.9 atom: 513 47C-H N 9.619 ambi=1 { N:124.781 } atom: 114 12G-H N 7.713 ambi=1 { N:113.216 } ::sumAvg: 4.9 atom: 114 12G-H N 7.713 ambi=1 { N:113.216 } atom: 842 73F-QE E 7.266 ambi=3 { CE1:131.332 } ::sumAvg: 4.775 atom: 114 12G-H N 7.713 ambi=1 { N:113.216 } atom: 844 73F-HZ Z 7.268 ambi=1 { CZ:129.876 } ::sumAvg: 4.84 atom: 487 45F-H N 8.955 ambi=1 { N:121.747 } atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } :: atom: 487 45F-H N 8.955 ambi=1 { N:121.747 } atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } ::sumAvg: 4.775 atom: 825 72V-H N 7.805 ambi=1 { N:120.334 } atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } ::sumAvg: 4.575 atom: 131 14D-H N 8.095 ambi=1 { N:122.877 } atom: 468 43G-HA2 A 4.443 ambi=2 { CA:45.661 } :: atom: 131 14D-H N 8.095 ambi=1 { N:122.877 } atom: 469 43G-HA3 A 3.816 ambi=2 { CA:45.661 } ::sumAvg: 4.73 atom: 131 14D-H N 8.095 ambi=1 { N:122.877 } atom: 476 44I-HG12 G1 1.482 ambi=2 { CG1:26.391 } :: atom: 131 14D-H N 8.095 ambi=1 { N:122.877 } atom: 477 44I-HG13 G1 1.216 ambi=2 { CG1:26.391 } ::sumAvg: 4.245 atom: 131 14D-H N 8.095 ambi=1 { N:122.877 } atom: 478 44I-HG2 G2 0.937 ambi=1 { CG2:18.002 } ::sumAvg: 3.855 atom: 131 14D-H N 8.095 ambi=1 { N:122.877 } atom: 487 45F-H N 8.955 ambi=1 { N:121.747 } ::sumAvg: 4.045 atom: 131 14D-H N 8.095 ambi=1 { N:122.877 } atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } ::sumAvg: 3.935 atom: 186 19T-H N 8.807 ambi=1 { N:111.351 } atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } ::sumAvg: 4.555 atom: 473 44I-H N 8.117 ambi=1 { N:122.284 } atom: 133 14D-HB2 B 2.387 ambi=2 { CB:40.364 } :: atom: 473 44I-H N 8.117 ambi=1 { N:122.284 } atom: 134 14D-HB3 B 2.072 ambi=2 { CB:40.364 } ::sumAvg: 4.5 atom: 156 16N-H N 9.025 ambi=1 { N:119.785 } atom: 139 15K-H N 7.345 ambi=1 { N:120.221 } ::sumAvg: 4.49 atom: 167 17G-H N 8.78 ambi=1 { N:110.504 } atom: 139 15K-H N 7.345 ambi=1 { N:120.221 } ::sumAvg: 4.665 atom: 167 17G-H N 8.78 ambi=1 { N:110.504 } atom: 140 15K-HA A 4.55 ambi=1 { CA:54.554 } ::sumAvg: 4.545 atom: 173 18M-H N 7.989 ambi=1 { N:121.86 } atom: 140 15K-HA A 4.55 ambi=1 { CA:54.554 } ::sumAvg: 4.72 atom: 167 17G-H N 8.78 ambi=1 { N:110.504 } atom: 141 15K-HB2 B 1.843 ambi=2 { CB:35.403 } :: atom: 167 17G-H N 8.78 ambi=1 { N:110.504 } atom: 142 15K-HB3 B 1.675 ambi=2 { CB:35.403 } ::sumAvg: 4.055 atom: 156 16N-H N 9.025 ambi=1 { N:119.785 } atom: 147 15K-QE E 2.978 ambi=2 { CE:42.041 } ::sumAvg: 4.575 atom: 156 16N-H N 9.025 ambi=1 { N:119.785 } atom: 160 16N-HD21 D2 7.709 ambi=2 { ND2:113.561 } :: atom: 156 16N-H N 9.025 ambi=1 { N:119.785 } atom: 161 16N-HD22 D2 6.966 ambi=2 { ND2:113.561 } ::sumAvg: 3.295 atom: 160 16N-HD21 D2 7.709 ambi=2 { ND2:113.561 } atom: 156 16N-H N 9.025 ambi=1 { N:119.785 } :: atom: 161 16N-HD22 D2 6.966 ambi=2 { ND2:113.561 } atom: 156 16N-H N 9.025 ambi=1 { N:119.785 } ::sumAvg: 3.295 atom: 156 16N-H N 9.025 ambi=1 { N:119.785 } atom: 173 18M-H N 7.989 ambi=1 { N:121.86 } ::sumAvg: 4.45 atom: 173 18M-H N 7.989 ambi=1 { N:121.86 } atom: 156 16N-H N 9.025 ambi=1 { N:119.785 } ::sumAvg: 4.45 atom: 160 16N-HD21 D2 7.709 ambi=2 { ND2:113.561 } atom: 167 17G-H N 8.78 ambi=1 { N:110.504 } :: atom: 161 16N-HD22 D2 6.966 ambi=2 { ND2:113.561 } atom: 167 17G-H N 8.78 ambi=1 { N:110.504 } ::sumAvg: 4.96 atom: 167 17G-H N 8.78 ambi=1 { N:110.504 } atom: 160 16N-HD21 D2 7.709 ambi=2 { ND2:113.561 } :: atom: 167 17G-H N 8.78 ambi=1 { N:110.504 } atom: 161 16N-HD22 D2 6.966 ambi=2 { ND2:113.561 } ::sumAvg: 4.96 atom: 207 21Q-H N 8.433 ambi=1 { N:120.25 } atom: 168 17G-HA2 A 4.125 ambi=1 { CA:45.996 } :: atom: 207 21Q-H N 8.433 ambi=1 { N:120.25 } atom: 169 17G-HA3 A 3.97 ambi=1 { CA:45.996 } ::sumAvg: 4.695 atom: 213 21Q-HE21 E2 7.1 ambi=1 { NE2:110.919 } atom: 169 17G-HA3 A 3.97 ambi=1 { CA:45.996 } ::sumAvg: 4.6 atom: 207 21Q-H N 8.433 ambi=1 { N:120.25 } atom: 173 18M-H N 7.989 ambi=1 { N:121.86 } ::sumAvg: 4.875 atom: 173 18M-H N 7.989 ambi=1 { N:121.86 } atom: 211 21Q-HG2 G 2.244 ambi=1 { CG:33.921 } ::sumAvg: 4.7 atom: 213 21Q-HE21 E2 7.1 ambi=1 { NE2:110.919 } atom: 173 18M-H N 7.989 ambi=1 { N:121.86 } ::sumAvg: 4.46 atom: 221 22I-H N 8.779 ambi=1 { N:119.497 } atom: 176 18M-HB3 B 2.494 ambi=1 { CB:31.847 } ::sumAvg: 4.985 atom: 213 21Q-HE21 E2 7.1 ambi=1 { NE2:110.919 } atom: 177 18M-HG2 G 2.912 ambi=2 { CG:32.851 } :: atom: 214 21Q-HE22 E2 6.937 ambi=1 { NE2:110.919 } atom: 177 18M-HG2 G 2.912 ambi=2 { CG:32.851 } :: atom: 213 21Q-HE21 E2 7.1 ambi=1 { NE2:110.919 } atom: 178 18M-HG3 G 2.507 ambi=2 { CG:32.851 } :: atom: 214 21Q-HE22 E2 6.937 ambi=1 { NE2:110.919 } atom: 178 18M-HG3 G 2.507 ambi=2 { CG:32.851 } ::sumAvg: 3.965 atom: 819 71G-H N 8.783 ambi=1 { N:113.801 } atom: 179 18M-HE E 2.014 ambi=1 { CE:17.052 } ::sumAvg: 3.32 atom: 186 19T-H N 8.807 ambi=1 { N:111.351 } atom: 211 21Q-HG2 G 2.244 ambi=1 { CG:33.921 } ::sumAvg: 4.67 atom: 186 19T-H N 8.807 ambi=1 { N:111.351 } atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } ::sumAvg: 4.755 atom: 186 19T-H N 8.807 ambi=1 { N:111.351 } atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } ::sumAvg: 4.545 atom: 200 20N-HD21 D2 7.263 ambi=1 { ND2:113.162 } atom: 196 20N-H N 7.936 ambi=1 { N:121.577 } ::sumAvg: 4.63 atom: 235 23T-H N 7.478 ambi=1 { N:115.702 } atom: 197 20N-HA A 4.083 ambi=1 { CA:57.669 } ::sumAvg: 4.14 atom: 245 24G-H N 8.011 ambi=1 { N:110.691 } atom: 197 20N-HA A 4.083 ambi=1 { CA:57.669 } ::sumAvg: 4.215 atom: 221 22I-H N 8.779 ambi=1 { N:119.497 } atom: 198 20N-HB2 B 3.087 ambi=2 { CB:36.625 } :: atom: 221 22I-H N 8.779 ambi=1 { N:119.497 } atom: 199 20N-HB3 B 2.818 ambi=2 { CB:36.625 } ::sumAvg: 4.95 atom: 213 21Q-HE21 E2 7.1 ambi=1 { NE2:110.919 } atom: 207 21Q-H N 8.433 ambi=1 { N:120.25 } ::sumAvg: 3.85 atom: 207 21Q-H N 8.433 ambi=1 { N:120.25 } atom: 224 22I-HG12 G1 1.377 ambi=2 { CG1:28.268 } :: atom: 207 21Q-H N 8.433 ambi=1 { N:120.25 } atom: 225 22I-HG13 G1 1.245 ambi=2 { CG1:28.268 } ::sumAvg: 4.625 atom: 207 21Q-H N 8.433 ambi=1 { N:120.25 } atom: 245 24G-H N 8.011 ambi=1 { N:110.691 } ::sumAvg: 4.775 atom: 245 24G-H N 8.011 ambi=1 { N:110.691 } atom: 207 21Q-H N 8.433 ambi=1 { N:120.25 } ::sumAvg: 4.775 atom: 235 23T-H N 7.478 ambi=1 { N:115.702 } atom: 208 21Q-HA A 4.046 ambi=1 { CA:59.187 } ::sumAvg: 4.855 atom: 251 25V-H N 7.898 ambi=1 { N:123.276 } atom: 209 21Q-HB2 B 2.243 ambi=1 { CB:28.512 } ::sumAvg: 4.935 atom: 213 21Q-HE21 E2 7.1 ambi=1 { NE2:110.919 } atom: 221 22I-H N 8.779 ambi=1 { N:119.497 } ::sumAvg: 4.91 atom: 221 22I-H N 8.779 ambi=1 { N:119.497 } atom: 213 21Q-HE21 E2 7.1 ambi=1 { NE2:110.919 } ::sumAvg: 4.91 atom: 251 25V-H N 7.898 ambi=1 { N:123.276 } atom: 221 22I-H N 8.779 ambi=1 { N:119.497 } ::sumAvg: 4.705 atom: 245 24G-H N 8.011 ambi=1 { N:110.691 } atom: 222 22I-HA A 3.823 ambi=1 { CA:61.611 } ::sumAvg: 4.41 atom: 245 24G-H N 8.011 ambi=1 { N:110.691 } atom: 223 22I-HB B 1.691 ambi=1 { CB:36.935 } ::sumAvg: 4.72 atom: 251 25V-H N 7.898 ambi=1 { N:123.276 } atom: 226 22I-HG2 G2 0.681 ambi=1 { CG2:17.966 } ::sumAvg: 4.895 atom: 235 23T-H N 7.478 ambi=1 { N:115.702 } atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } ::sumAvg: 4.61 atom: 794 69V-H N 7.348 ambi=1 { N:123.611 } atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } ::sumAvg: 4.645 atom: 235 23T-H N 7.478 ambi=1 { N:115.702 } atom: 265 26I-HG12 G1 1.577 ambi=2 { CG1:28.639 } :: atom: 235 23T-H N 7.478 ambi=1 { N:115.702 } atom: 266 26I-HG13 G1 0.828 ambi=2 { CG1:28.639 } ::sumAvg: 4.6 atom: 251 25V-H N 7.898 ambi=1 { N:123.276 } atom: 236 23T-HA A 3.523 ambi=1 { CA:67.006 } ::sumAvg: 4.425 atom: 262 26I-H N 7.646 ambi=1 { N:116.606 } atom: 239 23T-HG2 G2 0.935 ambi=1 { CG2:22.208 } ::sumAvg: 4.475 atom: 262 26I-H N 7.646 ambi=1 { N:116.606 } atom: 280 27S-HG G 5.387 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.495 atom: 285 28K-H N 7.008 ambi=1 { N:118.978 } atom: 293 28K-QE E 2.911 ambi=2 { CE:42.029 } ::sumAvg: 4.48 atom: 302 29F-H N 7.691 ambi=1 { N:120.755 } atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } ::sumAvg: 4.94 atom: 318 30D-H N 8.388 ambi=1 { N:122.23 } atom: 319 30D-HA A 4.65 ambi=1 { CA:53.331 } ::sumAvg: 2.89 atom: 318 30D-H N 8.388 ambi=1 { N:122.23 } atom: 655 58K-HZ Z 7.065 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.645 atom: 574 52F-H N 8.324 ambi=1 { N:120.91 } atom: 328 31T-HB B 4.077 ambi=1 { CB:70.319 } ::sumAvg: 4.96 atom: 346 33I-H N 8.32 ambi=1 { N:125.984 } atom: 329 31T-HG2 G2 1.086 ambi=1 { CG2:21.29 } ::sumAvg: 4.755 atom: 335 32N-H N 8.308 ambi=1 { N:121.973 } atom: 339 32N-HD21 D2 7.499 ambi=2 { ND2:109.919 } :: atom: 335 32N-H N 8.308 ambi=1 { N:121.973 } atom: 340 32N-HD22 D2 6.87 ambi=2 { ND2:109.919 } ::sumAvg: 4.81 atom: 346 33I-H N 8.32 ambi=1 { N:125.984 } atom: 339 32N-HD21 D2 7.499 ambi=2 { ND2:109.919 } :: atom: 346 33I-H N 8.32 ambi=1 { N:125.984 } atom: 340 32N-HD22 D2 6.87 ambi=2 { ND2:109.919 } ::sumAvg: 3.655 atom: 376 35T-H N 7.698 ambi=1 { N:111.895 } atom: 347 33I-HA A 3.846 ambi=1 { CA:63.3 } ::sumAvg: 3.71 atom: 547 50M-H N 8.978 ambi=1 { N:123.131 } atom: 347 33I-HA A 3.846 ambi=1 { CA:63.3 } ::sumAvg: 4.9 atom: 385 36I-H N 8.907 ambi=1 { N:123.257 } atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } ::sumAvg: 3.675 atom: 360 34R-H N 8.858 ambi=1 { N:126.537 } atom: 366 34R-HD2 D 2.899 ambi=2 { CD:41.134 } :: atom: 360 34R-H N 8.858 ambi=1 { N:126.537 } atom: 367 34R-HD3 D 2.754 ambi=2 { CD:41.134 } ::sumAvg: 4.045 atom: 360 34R-H N 8.858 ambi=1 { N:126.537 } atom: 377 35T-HA A 5.311 ambi=1 { CA:61.04 } ::sumAvg: 4.955 atom: 360 34R-H N 8.858 ambi=1 { N:126.537 } atom: 562 51I-HB B 1.831 ambi=1 { CB:41.447 } ::sumAvg: 4.79 atom: 368 34R-HE E 6.559 ambi=1 { NE:82.073 } atom: 361 34R-HA A 4.538 ambi=1 { CA:54.9 } ::sumAvg: 3.485 atom: 368 34R-HE E 6.559 ambi=1 { NE:82.073 } atom: 580 52F-QE E 7.314 ambi=3 { CE1:131.523 } ::sumAvg: 4.055 atom: 376 35T-H N 7.698 ambi=1 { N:111.895 } atom: 385 36I-H N 8.907 ambi=1 { N:123.257 } ::sumAvg: 4.26 atom: 376 35T-H N 7.698 ambi=1 { N:111.895 } atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } ::sumAvg: 4.87 atom: 376 35T-H N 7.698 ambi=1 { N:111.895 } atom: 387 36I-HB B 1.552 ambi=1 { CB:42.569 } ::sumAvg: 4.595 atom: 385 36I-H N 8.907 ambi=1 { N:123.257 } atom: 388 36I-HG12 G1 0.844 ambi=1 { CG1:27.882 } :: atom: 385 36I-H N 8.907 ambi=1 { N:123.257 } atom: 389 36I-HG13 G1 1.491 ambi=1 { CG1:27.882 } ::sumAvg: 4.865 atom: 385 36I-H N 8.907 ambi=1 { N:123.257 } atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } ::sumAvg: 4.845 atom: 385 36I-H N 8.907 ambi=1 { N:123.257 } atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } :: atom: 385 36I-H N 8.907 ambi=1 { N:123.257 } atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } ::sumAvg: 4.96 atom: 522 48N-H N 9.293 ambi=1 { N:129.52 } atom: 389 36I-HG13 G1 1.491 ambi=1 { CG1:27.882 } ::sumAvg: 4.925 atom: 533 49L-H N 9.435 ambi=1 { N:125.541 } atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } ::sumAvg: 4.53 atom: 547 50M-H N 8.978 ambi=1 { N:123.131 } atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } ::sumAvg: 4.53 atom: 399 37V-H N 8.933 ambi=1 { N:126.323 } atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } ::sumAvg: 4.635 atom: 399 37V-H N 8.933 ambi=1 { N:126.323 } atom: 517 47C-HG G 1.093 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.66 atom: 522 48N-H N 9.293 ambi=1 { N:129.52 } atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } ::sumAvg: 4.64 atom: 410 38L-H N 9.751 ambi=1 { N:133.332 } atom: 426 39N-QB B 2.649 ambi=2 { CB:43.287 } ::sumAvg: 4.895 atom: 410 38L-H N 9.751 ambi=1 { N:133.332 } atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } ::sumAvg: 4.425 atom: 410 38L-H N 9.751 ambi=1 { N:133.332 } atom: 522 48N-H N 9.293 ambi=1 { N:129.52 } ::sumAvg: 4.635 atom: 522 48N-H N 9.293 ambi=1 { N:129.52 } atom: 410 38L-H N 9.751 ambi=1 { N:133.332 } ::sumAvg: 4.635 atom: 428 39N-HD21 D2 7.682 ambi=2 { ND2:113.464 } atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } :: atom: 429 39N-HD22 D2 6.735 ambi=2 { ND2:113.464 } atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } ::sumAvg: 4.97 atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } ::sumAvg: 4.495 atom: 522 48N-H N 9.293 ambi=1 { N:129.52 } atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } ::sumAvg: 3.5 atom: 424 39N-H N 8.952 ambi=1 { N:123.262 } atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } ::sumAvg: 4.59 atom: 424 39N-H N 8.952 ambi=1 { N:123.262 } atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } ::sumAvg: 4.585 atom: 424 39N-H N 8.952 ambi=1 { N:123.262 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } ::sumAvg: 2.945 atom: 424 39N-H N 8.952 ambi=1 { N:123.262 } atom: 513 47C-H N 9.619 ambi=1 { N:124.781 } ::sumAvg: 4.985 atom: 513 47C-H N 9.619 ambi=1 { N:124.781 } atom: 424 39N-H N 8.952 ambi=1 { N:123.262 } ::sumAvg: 4.985 atom: 424 39N-H N 8.952 ambi=1 { N:123.262 } atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } ::sumAvg: 3.795 atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } atom: 425 39N-HA A 5.45 ambi=1 { CA:53.137 } ::sumAvg: 4.82 atom: 428 39N-HD21 D2 7.682 ambi=2 { ND2:113.464 } atom: 429 39N-HD22 D2 6.735 ambi=2 { ND2:113.464 } :: atom: 429 39N-HD22 D2 6.735 ambi=2 { ND2:113.464 } atom: 428 39N-HD21 D2 7.682 ambi=2 { ND2:113.464 } ::sumAvg: 1.8 atom: 429 39N-HD22 D2 6.735 ambi=2 { ND2:113.464 } atom: 428 39N-HD21 D2 7.682 ambi=2 { ND2:113.464 } :: atom: 428 39N-HD21 D2 7.682 ambi=2 { ND2:113.464 } atom: 429 39N-HD22 D2 6.735 ambi=2 { ND2:113.464 } ::sumAvg: 1.8 atom: 428 39N-HD21 D2 7.682 ambi=2 { ND2:113.464 } atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } :: atom: 429 39N-HD22 D2 6.735 ambi=2 { ND2:113.464 } atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } ::sumAvg: 4.8 atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } atom: 428 39N-HD21 D2 7.682 ambi=2 { ND2:113.464 } :: atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } atom: 429 39N-HD22 D2 6.735 ambi=2 { ND2:113.464 } ::sumAvg: 4.8 atom: 428 39N-HD21 D2 7.682 ambi=2 { ND2:113.464 } atom: 506 46T-HG1 G1 5.613 ambi=1 {attached_atom is not_assigned} :: atom: 429 39N-HD22 D2 6.735 ambi=2 { ND2:113.464 } atom: 506 46T-HG1 G1 5.613 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.75 atom: 435 40A-H N 8.467 ambi=1 { N:127.058 } atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } :: atom: 435 40A-H N 8.467 ambi=1 { N:127.058 } atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } ::sumAvg: 4.475 atom: 487 45F-H N 8.955 ambi=1 { N:121.747 } atom: 436 40A-HA A 5.345 ambi=1 { CA:51.37 } ::sumAvg: 4.21 atom: 442 41K-H N 8.865 ambi=1 { N:121.996 } atom: 448 41K-QD D 1.624 ambi=2 { CD:29.321 } ::sumAvg: 3.34 atom: 442 41K-H N 8.865 ambi=1 { N:121.996 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } ::sumAvg: 4.66 atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } atom: 448 41K-QD D 1.624 ambi=2 { CD:29.321 } ::sumAvg: 4.715 atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } atom: 450 41K-QE E 2.975 ambi=2 { CE:42.031 } ::sumAvg: 4.515 atom: 473 44I-H N 8.117 ambi=1 { N:122.284 } atom: 459 42D-H N 9.197 ambi=1 { N:122.213 } ::sumAvg: 4.43 atom: 487 45F-H N 8.955 ambi=1 { N:121.747 } atom: 844 73F-HZ Z 7.268 ambi=1 { CZ:129.876 } ::sumAvg: 4.945 atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } atom: 506 46T-HG1 G1 5.613 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.465 atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } ::sumAvg: 4.875 atom: 522 48N-H N 9.293 ambi=1 { N:129.52 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } ::sumAvg: 4.965 atom: 522 48N-H N 9.293 ambi=1 { N:129.52 } atom: 523 48N-HA A 5.629 ambi=1 { CA:51.962 } ::sumAvg: 2.94 atom: 526 48N-HD21 D2 7.191 ambi=2 { ND2:109.781 } atom: 522 48N-H N 9.293 ambi=1 { N:129.52 } :: atom: 527 48N-HD22 D2 6.787 ambi=2 { ND2:109.781 } atom: 522 48N-H N 9.293 ambi=1 { N:129.52 } ::sumAvg: 4.84 atom: 533 49L-H N 9.435 ambi=1 { N:125.541 } atom: 551 50M-HG2 G 2.518 ambi=2 { CG:32.262 } :: atom: 533 49L-H N 9.435 ambi=1 { N:125.541 } atom: 552 50M-HG3 G 2.378 ambi=2 { CG:32.262 } ::sumAvg: 4.8 atom: 560 51I-H N 9.056 ambi=1 { N:118.753 } atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } ::sumAvg: 3.77 atom: 547 50M-H N 8.978 ambi=1 { N:123.131 } atom: 548 50M-HA A 5.723 ambi=1 { CA:54.073 } ::sumAvg: 2.95 atom: 547 50M-H N 8.978 ambi=1 { N:123.131 } atom: 565 51I-HG2 G2 0.848 ambi=1 { CG2:18.577 } ::sumAvg: 3.54 atom: 560 51I-H N 9.056 ambi=1 { N:118.753 } atom: 553 50M-HE E 1.91 ambi=1 { CE:17.384 } ::sumAvg: 3.305 atom: 560 51I-H N 9.056 ambi=1 { N:118.753 } atom: 575 52F-HA A 5.345 ambi=1 { CA:56.478 } ::sumAvg: 4.825 atom: 574 52F-H N 8.324 ambi=1 { N:120.91 } atom: 562 51I-HB B 1.831 ambi=1 { CB:41.447 } ::sumAvg: 2.475 atom: 601 54K-H N 8.335 ambi=1 { N:120.334 } atom: 590 53V-H N 8.865 ambi=1 { N:118.244 } ::sumAvg: 4.46 atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } atom: 592 53V-HB B 1.793 ambi=1 { CB:35.707 } ::sumAvg: 4.675 atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } atom: 593 53V-HG1 G1 0.591 ambi=2 { CG1:21.796 } :: atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } atom: 594 53V-HG2 G2 0.46 ambi=2 { CG2:20.23 } ::sumAvg: 4.395 atom: 601 54K-H N 8.335 ambi=1 { N:120.334 } atom: 607 54K-QD D 1.686 ambi=2 { CD:29.076 } ::sumAvg: 4.08 atom: 601 54K-H N 8.335 ambi=1 { N:120.334 } atom: 609 54K-QE E 3.011 ambi=2 { CE:41.756 } ::sumAvg: 4.25 atom: 601 54K-H N 8.335 ambi=1 { N:120.334 } atom: 647 58K-HB2 B 1.894 ambi=2 { CB:31.763 } :: atom: 601 54K-H N 8.335 ambi=1 { N:120.334 } atom: 648 58K-HB3 B 1.961 ambi=2 { CB:31.763 } ::sumAvg: 4.095 atom: 601 54K-H N 8.335 ambi=1 { N:120.334 } atom: 649 58K-HG2 G 1.687 ambi=1 { CG:24.459 } :: atom: 601 54K-H N 8.335 ambi=1 { N:120.334 } atom: 650 58K-HG3 G 1.446 ambi=1 { CG:24.459 } ::sumAvg: 3.205 atom: 618 55N-H N 7.235 ambi=1 { N:108.018 } atom: 607 54K-QD D 1.686 ambi=2 { CD:29.076 } ::sumAvg: 4.955 atom: 618 55N-H N 7.235 ambi=1 { N:108.018 } atom: 623 55N-HD22 D2 7.683 ambi=2 { ND2:113.725 } ::sumAvg: 3.98 atom: 623 55N-HD22 D2 7.683 ambi=2 { ND2:113.725 } atom: 618 55N-H N 7.235 ambi=1 { N:108.018 } ::sumAvg: 3.98 atom: 618 55N-H N 7.235 ambi=1 { N:108.018 } atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } ::sumAvg: 4.425 atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } atom: 618 55N-H N 7.235 ambi=1 { N:108.018 } ::sumAvg: 4.425 atom: 618 55N-H N 7.235 ambi=1 { N:108.018 } atom: 630 56T-HA A 4.036 ambi=1 { CA:65.8 } ::sumAvg: 4.96 atom: 618 55N-H N 7.235 ambi=1 { N:108.018 } atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } ::sumAvg: 4.015 atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } atom: 618 55N-H N 7.235 ambi=1 { N:108.018 } ::sumAvg: 4.015 atom: 622 55N-HD21 D2 6.981 ambi=2 { ND2:113.725 } atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } :: atom: 623 55N-HD22 D2 7.683 ambi=2 { ND2:113.725 } atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } ::sumAvg: 4.23 atom: 638 57D-H N 8.384 ambi=1 { N:124.402 } atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } ::sumAvg: 4.415 atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } ::sumAvg: 4.99 atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } atom: 620 55N-HB2 B 3.355 ambi=2 { CB:39.333 } :: atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } atom: 621 55N-HB3 B 3.247 ambi=2 { CB:39.333 } ::sumAvg: 2.63 atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } atom: 620 55N-HB2 B 3.355 ambi=2 { CB:39.333 } :: atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } atom: 621 55N-HB3 B 3.247 ambi=2 { CB:39.333 } ::sumAvg: 4.11 atom: 622 55N-HD21 D2 6.981 ambi=2 { ND2:113.725 } atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } :: atom: 623 55N-HD22 D2 7.683 ambi=2 { ND2:113.725 } atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } ::sumAvg: 4.79 atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } atom: 622 55N-HD21 D2 6.981 ambi=2 { ND2:113.725 } :: atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } atom: 623 55N-HD22 D2 7.683 ambi=2 { ND2:113.725 } ::sumAvg: 4.79 atom: 622 55N-HD21 D2 6.981 ambi=2 { ND2:113.725 } atom: 638 57D-H N 8.384 ambi=1 { N:124.402 } :: atom: 623 55N-HD22 D2 7.683 ambi=2 { ND2:113.725 } atom: 638 57D-H N 8.384 ambi=1 { N:124.402 } ::sumAvg: 4.44 atom: 638 57D-H N 8.384 ambi=1 { N:124.402 } atom: 622 55N-HD21 D2 6.981 ambi=2 { ND2:113.725 } :: atom: 638 57D-H N 8.384 ambi=1 { N:124.402 } atom: 623 55N-HD22 D2 7.683 ambi=2 { ND2:113.725 } ::sumAvg: 4.44 atom: 622 55N-HD21 D2 6.981 ambi=2 { ND2:113.725 } atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } :: atom: 623 55N-HD22 D2 7.683 ambi=2 { ND2:113.725 } atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } ::sumAvg: 4.12 atom: 622 55N-HD21 D2 6.981 ambi=2 { ND2:113.725 } atom: 647 58K-HB2 B 1.894 ambi=2 { CB:31.763 } :: atom: 622 55N-HD21 D2 6.981 ambi=2 { ND2:113.725 } atom: 648 58K-HB3 B 1.961 ambi=2 { CB:31.763 } :: atom: 623 55N-HD22 D2 7.683 ambi=2 { ND2:113.725 } atom: 647 58K-HB2 B 1.894 ambi=2 { CB:31.763 } :: atom: 623 55N-HD22 D2 7.683 ambi=2 { ND2:113.725 } atom: 648 58K-HB3 B 1.961 ambi=2 { CB:31.763 } ::sumAvg: 3.755 atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } atom: 631 56T-HB B 4.327 ambi=1 { CB:68.341 } ::sumAvg: 3.64 atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } atom: 638 57D-H N 8.384 ambi=1 { N:124.402 } ::sumAvg: 2.745 atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } atom: 640 57D-QB B 2.673 ambi=2 { CB:39.938 } ::sumAvg: 4.72 atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } ::sumAvg: 4.465 atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } ::sumAvg: 4.465 atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } atom: 663 59L-H N 7.302 ambi=1 { N:118.583 } ::sumAvg: 4.975 atom: 663 59L-H N 7.302 ambi=1 { N:118.583 } atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } ::sumAvg: 4.975 atom: 677 60T-H N 8.5 ambi=1 { N:115.462 } atom: 631 56T-HB B 4.327 ambi=1 { CB:68.341 } ::sumAvg: 4.985 atom: 663 59L-H N 7.302 ambi=1 { N:118.583 } atom: 638 57D-H N 8.384 ambi=1 { N:124.402 } ::sumAvg: 4.1 atom: 663 59L-H N 7.302 ambi=1 { N:118.583 } atom: 639 57D-HA A 4.467 ambi=1 { CA:57.4 } ::sumAvg: 4.365 atom: 677 60T-H N 8.5 ambi=1 { N:115.462 } atom: 639 57D-HA A 4.467 ambi=1 { CA:57.4 } ::sumAvg: 3.415 atom: 686 61T-H N 7.996 ambi=1 { N:117.698 } atom: 639 57D-HA A 4.467 ambi=1 { CA:57.4 } ::sumAvg: 4.18 atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } atom: 651 58K-QD D 1.751 ambi=2 { CD:28.223 } ::sumAvg: 4.39 atom: 695 62L-H N 7.717 ambi=1 { N:122.534 } atom: 651 58K-QD D 1.751 ambi=2 { CD:28.223 } ::sumAvg: 4.77 atom: 663 59L-H N 7.302 ambi=1 { N:118.583 } atom: 686 61T-H N 7.996 ambi=1 { N:117.698 } ::sumAvg: 4.075 atom: 677 60T-H N 8.5 ambi=1 { N:115.462 } atom: 664 59L-HA A 3.907 ambi=1 { CA:57.979 } ::sumAvg: 3.58 atom: 686 61T-H N 7.996 ambi=1 { N:117.698 } atom: 664 59L-HA A 3.907 ambi=1 { CA:57.979 } ::sumAvg: 4.345 atom: 709 63M-H N 8.23 ambi=1 { N:116.719 } atom: 664 59L-HA A 3.907 ambi=1 { CA:57.979 } ::sumAvg: 4.825 atom: 686 61T-H N 7.996 ambi=1 { N:117.698 } atom: 665 59L-HB2 B 2.233 ambi=2 { CB:41.727 } :: atom: 686 61T-H N 7.996 ambi=1 { N:117.698 } atom: 666 59L-HB3 B 1.495 ambi=2 { CB:41.727 } ::sumAvg: 4.915 atom: 891 77R-HE E 7.707 ambi=1 { NE:84.443 } atom: 668 59L-HD1 D1 0.861 ambi=2 { CD1:23.382 } :: atom: 891 77R-HE E 7.707 ambi=1 { NE:84.443 } atom: 669 59L-HD2 D2 0.962 ambi=2 { CD2:25.509 } ::sumAvg: 4.21 atom: 677 60T-H N 8.5 ambi=1 { N:115.462 } atom: 688 61T-HB B 4.307 ambi=1 { CB:68.549 } ::sumAvg: 4.92 atom: 695 62L-H N 7.717 ambi=1 { N:122.534 } atom: 678 60T-HA A 3.845 ambi=1 { CA:66.691 } ::sumAvg: 4.41 atom: 695 62L-H N 7.717 ambi=1 { N:122.534 } atom: 735 65K-HG3 G 1.505 ambi=1 { CG:25.487 } ::sumAvg: 4.935 atom: 761 67R-H N 8.017 ambi=1 { N:115.702 } atom: 710 63M-HA A 3.771 ambi=1 { CA:60.699 } ::sumAvg: 4.225 atom: 769 67R-HE E 7.513 ambi=1 { NE:85.751 } atom: 711 63M-HB2 B 2.275 ambi=2 { CB:33.024 } :: atom: 769 67R-HE E 7.513 ambi=1 { NE:85.751 } atom: 712 63M-HB3 B 1.97 ambi=2 { CB:33.024 } ::sumAvg: 4.535 atom: 891 77R-HE E 7.707 ambi=1 { NE:84.443 } atom: 715 63M-HE E 2.024 ambi=1 { CE:16.436 } ::sumAvg: 4.765 atom: 899 78L-H N 8.252 ambi=1 { N:127.062 } atom: 715 63M-HE E 2.024 ambi=1 { CE:16.436 } ::sumAvg: 4.935 atom: 722 64D-H N 8.263 ambi=1 { N:118.611 } atom: 732 65K-HB2 B 2.051 ambi=1 { CB:32.372 } ::sumAvg: 4.865 atom: 722 64D-H N 8.263 ambi=1 { N:118.611 } atom: 735 65K-HG3 G 1.505 ambi=1 { CG:25.487 } ::sumAvg: 4.765 atom: 722 64D-H N 8.263 ambi=1 { N:118.611 } atom: 763 67R-QB B 1.926 ambi=2 { CB:30.313 } ::sumAvg: 4.775 atom: 730 65K-H N 7.755 ambi=1 { N:118.452 } atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } ::sumAvg: 4.58 atom: 761 67R-H N 8.017 ambi=1 { N:115.702 } atom: 731 65K-HA A 3.97 ambi=1 { CA:59.466 } ::sumAvg: 4.45 atom: 761 67R-H N 8.017 ambi=1 { N:115.702 } atom: 732 65K-HB2 B 2.051 ambi=1 { CB:32.372 } ::sumAvg: 4.97 atom: 747 66L-H N 7.768 ambi=1 { N:118.471 } atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } ::sumAvg: 2.33 atom: 777 68K-H N 7.168 ambi=1 { N:115.213 } atom: 748 66L-HA A 4.066 ambi=1 { CA:57.55 } ::sumAvg: 3.72 atom: 761 67R-H N 8.017 ambi=1 { N:115.702 } atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } ::sumAvg: 4.45 atom: 794 69V-H N 7.348 ambi=1 { N:123.611 } atom: 762 67R-HA A 3.855 ambi=1 { CA:58.584 } ::sumAvg: 3.525 atom: 861 75V-H N 8.584 ambi=1 { N:122.82 } atom: 769 67R-HE E 7.513 ambi=1 { NE:85.751 } ::sumAvg: 4.185 atom: 777 68K-H N 7.168 ambi=1 { N:115.213 } atom: 785 68K-QE E 2.987 ambi=2 { CE:42.056 } ::sumAvg: 4.44 atom: 794 69V-H N 7.348 ambi=1 { N:123.611 } atom: 827 72V-HB B 2.352 ambi=1 { CB:32.003 } ::sumAvg: 4.185 atom: 794 69V-H N 7.348 ambi=1 { N:123.611 } atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } :: atom: 794 69V-H N 7.348 ambi=1 { N:123.611 } atom: 829 72V-HG2 G2 0.913 ambi=2 { CG2:23.933 } ::sumAvg: 4.335 atom: 819 71G-H N 8.783 ambi=1 { N:113.801 } atom: 795 69V-HA A 3.776 ambi=1 { CA:63.134 } ::sumAvg: 4.05 atom: 825 72V-H N 7.805 ambi=1 { N:120.334 } atom: 795 69V-HA A 3.776 ambi=1 { CA:63.134 } ::sumAvg: 4.765 atom: 819 71G-H N 8.783 ambi=1 { N:113.801 } atom: 796 69V-HB B 2.272 ambi=1 { CB:31.075 } ::sumAvg: 4.07 atom: 825 72V-H N 7.805 ambi=1 { N:120.334 } atom: 796 69V-HB B 2.272 ambi=1 { CB:31.075 } ::sumAvg: 3.28 atom: 805 70Q-H N 8.632 ambi=1 { N:130.07 } atom: 811 70Q-HE21 E2 7.624 ambi=2 { NE2:112.683 } :: atom: 805 70Q-H N 8.632 ambi=1 { N:130.07 } atom: 812 70Q-HE22 E2 6.918 ambi=2 { NE2:112.683 } ::sumAvg: 4.375 atom: 811 70Q-HE21 E2 7.624 ambi=2 { NE2:112.683 } atom: 805 70Q-H N 8.632 ambi=1 { N:130.07 } :: atom: 812 70Q-HE22 E2 6.918 ambi=2 { NE2:112.683 } atom: 805 70Q-H N 8.632 ambi=1 { N:130.07 } ::sumAvg: 4.375 atom: 819 71G-H N 8.783 ambi=1 { N:113.801 } atom: 806 70Q-HA A 4.072 ambi=1 { CA:57.8 } ::sumAvg: 3.52 atom: 811 70Q-HE21 E2 7.624 ambi=2 { NE2:112.683 } atom: 807 70Q-QB B 2.073 ambi=2 { CB:28.1 } :: atom: 812 70Q-HE22 E2 6.918 ambi=2 { NE2:112.683 } atom: 807 70Q-QB B 2.073 ambi=2 { CB:28.1 } ::sumAvg: 3.385 atom: 825 72V-H N 7.805 ambi=1 { N:120.334 } atom: 809 70Q-QG G 2.449 ambi=2 { CG:33.839 } ::sumAvg: 4.68 atom: 811 70Q-HE21 E2 7.624 ambi=2 { NE2:112.683 } atom: 819 71G-H N 8.783 ambi=1 { N:113.801 } :: atom: 812 70Q-HE22 E2 6.918 ambi=2 { NE2:112.683 } atom: 819 71G-H N 8.783 ambi=1 { N:113.801 } ::sumAvg: 4.795 atom: 819 71G-H N 8.783 ambi=1 { N:113.801 } atom: 811 70Q-HE21 E2 7.624 ambi=2 { NE2:112.683 } :: atom: 819 71G-H N 8.783 ambi=1 { N:113.801 } atom: 812 70Q-HE22 E2 6.918 ambi=2 { NE2:112.683 } ::sumAvg: 4.795 atom: 836 73F-H N 9.522 ambi=1 { N:127.542 } atom: 842 73F-QE E 7.266 ambi=3 { CE1:131.332 } ::sumAvg: 4.085 atom: 836 73F-H N 9.522 ambi=1 { N:127.542 } atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } ::sumAvg: 4.79 atom: 836 73F-H N 9.522 ambi=1 { N:127.542 } atom: 855 74T-HG2 G2 1.128 ambi=1 { CG2:21.877 } ::sumAvg: 3.62 atom: 852 74T-H N 7.972 ambi=1 { N:111.809 } atom: 842 73F-QE E 7.266 ambi=3 { CE1:131.332 } ::sumAvg: 4.865 atom: 913 79S-H N 8.635 ambi=1 { N:118.446 } atom: 887 77R-HG2 G 1.87 ambi=2 { CG:27.26 } :: atom: 913 79S-H N 8.635 ambi=1 { N:118.446 } atom: 888 77R-HG3 G 1.717 ambi=2 { CG:27.26 } ::sumAvg: 3.785 atom: 891 77R-HE E 7.707 ambi=1 { NE:84.443 } atom: 915 79S-QB B 3.878 ambi=2 { CB:63.993 } ::sumAvg: 4.8 atom: 921 80N-H N 8.421 ambi=1 { N:119.339 } atom: 902 78L-HB3 B 1.365 ambi=1 { CB:43.228 } ::sumAvg: 4.525 atom: 921 80N-H N 8.421 ambi=1 { N:119.339 } atom: 904 78L-HD1 D1 0.804 ambi=2 { CD1:24.901 } :: atom: 921 80N-H N 8.421 ambi=1 { N:119.339 } atom: 905 78L-HD2 D2 0.832 ambi=2 { CD2:23.402 } ::sumAvg: 4.83 atom: 921 80N-H N 8.421 ambi=1 { N:119.339 } atom: 925 80N-HD21 D2 7.595 ambi=2 { ND2:112.676 } :: atom: 921 80N-H N 8.421 ambi=1 { N:119.339 } atom: 926 80N-HD22 D2 6.874 ambi=2 { ND2:112.676 } ::sumAvg: 3.52 atom: 925 80N-HD21 D2 7.595 ambi=2 { ND2:112.676 } atom: 921 80N-H N 8.421 ambi=1 { N:119.339 } :: atom: 926 80N-HD22 D2 6.874 ambi=2 { ND2:112.676 } atom: 921 80N-H N 8.421 ambi=1 { N:119.339 } ::sumAvg: 3.52 atom: 921 80N-H N 8.421 ambi=1 { N:119.339 } atom: 937 81L-HD1 D1 0.843 ambi=2 { CD1:25.205 } :: atom: 921 80N-H N 8.421 ambi=1 { N:119.339 } atom: 938 81L-HD2 D2 0.755 ambi=2 { CD2:23.24 } ::sumAvg: 4.31 atom: 925 80N-HD21 D2 7.595 ambi=2 { ND2:112.676 } atom: 922 80N-HA A 4.668 ambi=1 { CA:53.3 } :: atom: 926 80N-HD22 D2 6.874 ambi=2 { ND2:112.676 } atom: 922 80N-HA A 4.668 ambi=1 { CA:53.3 } ::sumAvg: 3.645 atom: 957 83H-H N 8.195 ambi=1 { N:119.507 } atom: 933 81L-HA A 4.258 ambi=1 { CA:55.263 } ::sumAvg: 4.57 atom: 957 83H-H N 8.195 ambi=1 { N:119.507 } atom: 934 81L-HB2 B 1.61 ambi=1 { CB:41.756 } :: atom: 957 83H-H N 8.195 ambi=1 { N:119.507 } atom: 935 81L-HB3 B 1.55 ambi=1 { CB:41.756 } ::sumAvg: 3.64 atom: 946 82E-H N 8.282 ambi=1 { N:120.037 } atom: 959 83H-HB2 B 3.034 ambi=2 { CB:30.366 } :: atom: 946 82E-H N 8.282 ambi=1 { N:120.037 } atom: 960 83H-HB3 B 2.961 ambi=2 { CB:30.366 } ::sumAvg: 4.795 atom: 957 83H-H N 8.195 ambi=1 { N:119.507 } atom: 948 82E-QB B 1.909 ambi=2 { CB:29.997 } ::sumAvg: 3.97 # Missing interactons for c_aro.peaks atom: 578 52F-QD D 7.002 ambi=3 { CD1:130.696 } atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } ::sumAvg: 4.75 atom: 20 4F-QD D 7.184 ambi=3 { CD1:132.867 } atom: 18 4F-QB B 3.08 ambi=2 { CB:41.288 } ::sumAvg: 2.135 atom: 578 52F-QD D 7.002 ambi=3 { CD1:130.696 } atom: 18 4F-QB B 3.08 ambi=2 { CB:41.288 } ::sumAvg: 4.64 atom: 24 4F-HZ Z 6.967 ambi=1 { CZ:128.691 } atom: 592 53V-HB B 1.793 ambi=1 { CB:35.707 } ::sumAvg: 4.965 atom: 24 4F-HZ Z 6.967 ambi=1 { CZ:128.691 } atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } ::sumAvg: 3.945 atom: 24 4F-HZ Z 6.967 ambi=1 { CZ:128.691 } atom: 665 59L-HB2 B 2.233 ambi=2 { CB:41.727 } :: atom: 24 4F-HZ Z 6.967 ambi=1 { CZ:128.691 } atom: 666 59L-HB3 B 1.495 ambi=2 { CB:41.727 } ::sumAvg: 3.735 atom: 20 4F-QD D 7.184 ambi=3 { CD1:132.867 } atom: 35 5L-HB3 B 1.263 ambi=1 { CB:42.932 } ::sumAvg: 4.63 atom: 20 4F-QD D 7.184 ambi=3 { CD1:132.867 } atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } ::sumAvg: 4.245 atom: 20 4F-QD D 7.184 ambi=3 { CD1:132.867 } atom: 46 6A-H N 9.325 ambi=1 { N:129.53 } ::sumAvg: 3.87 atom: 20 4F-QD D 7.184 ambi=3 { CD1:132.867 } atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } ::sumAvg: 4.32 atom: 22 4F-QE E 7.066 ambi=3 { CE1:130.475 } atom: 46 6A-H N 9.325 ambi=1 { N:129.53 } ::sumAvg: 4.5 atom: 22 4F-QE E 7.066 ambi=3 { CE1:130.475 } atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } ::sumAvg: 3.04 atom: 22 4F-QE E 7.066 ambi=3 { CE1:130.475 } atom: 590 53V-H N 8.865 ambi=1 { N:118.244 } ::sumAvg: 4.965 atom: 22 4F-QE E 7.066 ambi=3 { CE1:130.475 } atom: 592 53V-HB B 1.793 ambi=1 { CB:35.707 } ::sumAvg: 4.82 atom: 22 4F-QE E 7.066 ambi=3 { CE1:130.475 } atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } ::sumAvg: 3.25 atom: 22 4F-QE E 7.066 ambi=3 { CE1:130.475 } atom: 665 59L-HB2 B 2.233 ambi=2 { CB:41.727 } :: atom: 22 4F-QE E 7.066 ambi=3 { CE1:130.475 } atom: 666 59L-HB3 B 1.495 ambi=2 { CB:41.727 } ::sumAvg: 4.155 atom: 582 52F-HZ Z 7.314 ambi=1 { CZ:129.844 } atom: 32 5L-H N 8.498 ambi=1 { N:123.329 } ::sumAvg: 4.945 atom: 580 52F-QE E 7.314 ambi=3 { CE1:131.523 } atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } ::sumAvg: 3.805 atom: 582 52F-HZ Z 7.314 ambi=1 { CZ:129.844 } atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } ::sumAvg: 4.78 atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } ::sumAvg: 3.125 atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } ::sumAvg: 4.605 atom: 310 29F-HZ Z 7.036 ambi=1 { CZ:128.731 } atom: 95 10I-HD1 D1 0.949 ambi=1 { CD1:17.051 } ::sumAvg: 4.805 atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } ::sumAvg: 4.375 atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } ::sumAvg: 4.625 atom: 495 45F-HZ Z 6.774 ambi=1 { CZ:127.768 } atom: 114 12G-H N 7.713 ambi=1 { N:113.216 } ::sumAvg: 4.27 atom: 842 73F-QE E 7.266 ambi=3 { CE1:131.332 } atom: 114 12G-H N 7.713 ambi=1 { N:113.216 } ::sumAvg: 4.775 atom: 844 73F-HZ Z 7.268 ambi=1 { CZ:129.876 } atom: 114 12G-H N 7.713 ambi=1 { N:113.216 } ::sumAvg: 4.84 atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } ::sumAvg: 4.51 atom: 495 45F-HZ Z 6.774 ambi=1 { CZ:127.768 } atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } ::sumAvg: 3.385 atom: 842 73F-QE E 7.266 ambi=3 { CE1:131.332 } atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } :: atom: 842 73F-QE E 7.266 ambi=3 { CE1:131.332 } atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } ::sumAvg: 3.055 atom: 844 73F-HZ Z 7.268 ambi=1 { CZ:129.876 } atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } :: atom: 844 73F-HZ Z 7.268 ambi=1 { CZ:129.876 } atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } ::sumAvg: 3.54 atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } ::sumAvg: 4.31 atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } ::sumAvg: 4.815 atom: 840 73F-QD D 7.064 ambi=3 { CD1:130.48 } atom: 123 13E-HB3 B 2.12 ambi=1 { CB:31.102 } ::sumAvg: 4.475 atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } atom: 124 13E-QG G 2.354 ambi=2 { CG:36.192 } ::sumAvg: 4.365 atom: 840 73F-QD D 7.064 ambi=3 { CD1:130.48 } atom: 124 13E-QG G 2.354 ambi=2 { CG:36.192 } ::sumAvg: 4.29 atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } ::sumAvg: 3.785 atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } atom: 139 15K-H N 7.345 ambi=1 { N:120.221 } ::sumAvg: 4.225 atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } atom: 139 15K-H N 7.345 ambi=1 { N:120.221 } ::sumAvg: 4.225 atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } atom: 174 18M-HA A 4.359 ambi=1 { CA:57.405 } ::sumAvg: 4.965 atom: 495 45F-HZ Z 6.774 ambi=1 { CZ:127.768 } atom: 176 18M-HB3 B 2.494 ambi=1 { CB:31.847 } ::sumAvg: 3.47 atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } atom: 186 19T-H N 8.807 ambi=1 { N:111.351 } ::sumAvg: 4.755 atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } atom: 186 19T-H N 8.807 ambi=1 { N:111.351 } ::sumAvg: 4.545 atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } ::sumAvg: 4.205 atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } ::sumAvg: 3.895 atom: 495 45F-HZ Z 6.774 ambi=1 { CZ:127.768 } atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } ::sumAvg: 4.375 atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } atom: 223 22I-HB B 1.691 ambi=1 { CB:36.935 } ::sumAvg: 3.68 atom: 495 45F-HZ Z 6.774 ambi=1 { CZ:127.768 } atom: 223 22I-HB B 1.691 ambi=1 { CB:36.935 } ::sumAvg: 4.05 atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } atom: 253 25V-HB B 2.067 ambi=1 { CB:31.925 } ::sumAvg: 4.96 atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } atom: 254 25V-HG1 G1 0.762 ambi=2 { CG1:21.272 } :: atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } atom: 255 25V-HG2 G2 1.035 ambi=2 { CG2:22.506 } ::sumAvg: 2.73 atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } atom: 263 26I-HA A 2.698 ambi=1 { CA:64.163 } ::sumAvg: 3.195 atom: 310 29F-HZ Z 7.036 ambi=1 { CZ:128.731 } atom: 263 26I-HA A 2.698 ambi=1 { CA:64.163 } ::sumAvg: 3.8 atom: 306 29F-QD D 7.151 ambi=3 { CD1:131.074 } atom: 287 28K-HB2 B 1.986 ambi=2 { CB:32.742 } :: atom: 306 29F-QD D 7.151 ambi=3 { CD1:131.074 } atom: 288 28K-HB3 B 1.793 ambi=2 { CB:32.742 } ::sumAvg: 4.73 atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } atom: 302 29F-H N 7.691 ambi=1 { N:120.755 } ::sumAvg: 4.94 atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } atom: 303 29F-HA A 4.576 ambi=1 { CA:56.366 } ::sumAvg: 4.25 atom: 306 29F-QD D 7.151 ambi=3 { CD1:131.074 } atom: 318 30D-H N 8.388 ambi=1 { N:122.23 } ::sumAvg: 4.14 atom: 306 29F-QD D 7.151 ambi=3 { CD1:131.074 } atom: 733 65K-HB3 B 1.876 ambi=1 { CB:32.372 } ::sumAvg: 4.925 atom: 306 29F-QD D 7.151 ambi=3 { CD1:131.074 } atom: 738 65K-QE E 2.991 ambi=2 { CE:42.046 } ::sumAvg: 3.295 atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } ::sumAvg: 4.945 atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } atom: 697 62L-HB2 B 1.26 ambi=1 { CB:40.241 } :: atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } atom: 698 62L-HB3 B 1.047 ambi=1 { CB:40.241 } ::sumAvg: 3.28 atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } :: atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } ::sumAvg: 3.195 atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } atom: 732 65K-HB2 B 2.051 ambi=1 { CB:32.372 } :: atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } atom: 733 65K-HB3 B 1.876 ambi=1 { CB:32.372 } ::sumAvg: 2.825 atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } atom: 747 66L-H N 7.768 ambi=1 { N:118.471 } ::sumAvg: 4.9 atom: 310 29F-HZ Z 7.036 ambi=1 { CZ:128.731 } atom: 696 62L-HA A 3.542 ambi=1 { CA:57.988 } ::sumAvg: 4.125 atom: 310 29F-HZ Z 7.036 ambi=1 { CZ:128.731 } atom: 698 62L-HB3 B 1.047 ambi=1 { CB:40.241 } ::sumAvg: 3.555 atom: 310 29F-HZ Z 7.036 ambi=1 { CZ:128.731 } atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } :: atom: 310 29F-HZ Z 7.036 ambi=1 { CZ:128.731 } atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } ::sumAvg: 3.875 atom: 310 29F-HZ Z 7.036 ambi=1 { CZ:128.731 } atom: 732 65K-HB2 B 2.051 ambi=1 { CB:32.372 } :: atom: 310 29F-HZ Z 7.036 ambi=1 { CZ:128.731 } atom: 733 65K-HB3 B 1.876 ambi=1 { CB:32.372 } ::sumAvg: 3.42 atom: 310 29F-HZ Z 7.036 ambi=1 { CZ:128.731 } atom: 738 65K-QE E 2.991 ambi=2 { CE:42.046 } ::sumAvg: 4.84 atom: 582 52F-HZ Z 7.314 ambi=1 { CZ:129.844 } atom: 364 34R-HG2 G 1.503 ambi=2 { CG:24.976 } :: atom: 582 52F-HZ Z 7.314 ambi=1 { CZ:129.844 } atom: 365 34R-HG3 G 1.425 ambi=2 { CG:24.976 } ::sumAvg: 4.68 atom: 580 52F-QE E 7.314 ambi=3 { CE1:131.523 } atom: 366 34R-HD2 D 2.899 ambi=2 { CD:41.134 } :: atom: 580 52F-QE E 7.314 ambi=3 { CE1:131.523 } atom: 367 34R-HD3 D 2.754 ambi=2 { CD:41.134 } ::sumAvg: 3.255 atom: 580 52F-QE E 7.314 ambi=3 { CE1:131.523 } atom: 368 34R-HE E 6.559 ambi=1 { NE:82.073 } ::sumAvg: 4.055 atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } atom: 378 35T-HB B 3.764 ambi=1 { CB:74.055 } ::sumAvg: 3.01 atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } atom: 379 35T-HG2 G2 1.283 ambi=1 { CG2:22.495 } ::sumAvg: 3.585 atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } ::sumAvg: 4.495 atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } atom: 414 38L-HG G 1.574 ambi=1 { CG:27.894 } ::sumAvg: 4.29 atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } atom: 436 40A-HA A 5.345 ambi=1 { CA:51.37 } ::sumAvg: 4.71 atom: 844 73F-HZ Z 7.268 ambi=1 { CZ:129.876 } atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } ::sumAvg: 4.445 atom: 844 73F-HZ Z 7.268 ambi=1 { CZ:129.876 } atom: 479 44I-HD1 D1 0.859 ambi=1 { CD1:12.567 } ::sumAvg: 2.685 atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } atom: 487 45F-H N 8.955 ambi=1 { N:121.747 } ::sumAvg: 4.305 atom: 844 73F-HZ Z 7.268 ambi=1 { CZ:129.876 } atom: 487 45F-H N 8.955 ambi=1 { N:121.747 } ::sumAvg: 4.945 atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } ::sumAvg: 4.82 atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } atom: 513 47C-H N 9.619 ambi=1 { N:124.781 } ::sumAvg: 3.19 atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } ::sumAvg: 4.28 atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } ::sumAvg: 4.745 atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } atom: 513 47C-H N 9.619 ambi=1 { N:124.781 } ::sumAvg: 3.705 atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } atom: 826 72V-HA A 3.723 ambi=1 { CA:64.02 } ::sumAvg: 4.915 atom: 961 83H-HD2 D2 6.923 ambi=1 { CD2:119.424 } atom: 551 50M-HG2 G 2.518 ambi=2 { CG:32.262 } :: atom: 961 83H-HD2 D2 6.923 ambi=1 { CD2:119.424 } atom: 552 50M-HG3 G 2.378 ambi=2 { CG:32.262 } ::sumAvg: 4.705 atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } atom: 551 50M-HG2 G 2.518 ambi=2 { CG:32.262 } :: atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } atom: 552 50M-HG3 G 2.378 ambi=2 { CG:32.262 } ::sumAvg: 2.875 atom: 580 52F-QE E 7.314 ambi=3 { CE1:131.523 } atom: 575 52F-HA A 5.345 ambi=1 { CA:56.478 } ::sumAvg: 4.455 atom: 840 73F-QD D 7.064 ambi=3 { CD1:130.48 } atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } :: atom: 840 73F-QD D 7.064 ambi=3 { CD1:130.48 } atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } ::sumAvg: 4.66 atom: 840 73F-QD D 7.064 ambi=3 { CD1:130.48 } atom: 826 72V-HA A 3.723 ambi=1 { CA:64.02 } ::sumAvg: 3.8 atom: 842 73F-QE E 7.266 ambi=3 { CE1:131.332 } atom: 826 72V-HA A 3.723 ambi=1 { CA:64.02 } ::sumAvg: 4.425 atom: 842 73F-QE E 7.266 ambi=3 { CE1:131.332 } atom: 836 73F-H N 9.522 ambi=1 { N:127.542 } ::sumAvg: 4.085 atom: 840 73F-QD D 7.064 ambi=3 { CD1:130.48 } atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } ::sumAvg: 4.7 atom: 840 73F-QD D 7.064 ambi=3 { CD1:130.48 } atom: 855 74T-HG2 G2 1.128 ambi=1 { CG2:21.877 } ::sumAvg: 1.89 atom: 842 73F-QE E 7.266 ambi=3 { CE1:131.332 } atom: 852 74T-H N 7.972 ambi=1 { N:111.809 } ::sumAvg: 4.865 atom: 961 83H-HD2 D2 6.923 ambi=1 { CD2:119.424 } atom: 946 82E-H N 8.282 ambi=1 { N:120.037 } ::sumAvg: 3.195 atom: 961 83H-HD2 D2 6.923 ambi=1 { CD2:119.424 } atom: 957 83H-H N 8.195 ambi=1 { N:119.507 } ::sumAvg: 2.725 atom: 961 83H-HD2 D2 6.923 ambi=1 { CD2:119.424 } atom: 958 83H-HA A 4.535 ambi=1 { CA:55.951 } ::sumAvg: 3.745 atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } atom: 959 83H-HB2 B 3.034 ambi=2 { CB:30.366 } :: atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } atom: 960 83H-HB3 B 2.961 ambi=2 { CB:30.366 } ::sumAvg: 4.725 atom: 961 83H-HD2 D2 6.923 ambi=1 { CD2:119.424 } atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } ::sumAvg: 4.23 atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } atom: 961 83H-HD2 D2 6.923 ambi=1 { CD2:119.424 } ::sumAvg: 4.23 # Missing interactons for c_ali.peaks atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } atom: 8 3D-H N 8.636 ambi=1 { N:125.85 } ::sumAvg: 2.87 atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } atom: 10 3D-HB2 B 2.282 ambi=2 { CB:41.426 } :: atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } atom: 11 3D-HB3 B 2.214 ambi=2 { CB:41.426 } ::sumAvg: 2.47 atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } atom: 18 4F-QB B 3.08 ambi=2 { CB:41.288 } ::sumAvg: 4.37 atom: 18 4F-QB B 3.08 ambi=2 { CB:41.288 } atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } ::sumAvg: 4.37 atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } atom: 16 4F-H N 8.608 ambi=1 { N:117.566 } ::sumAvg: 2.365 atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } atom: 20 4F-QD D 7.184 ambi=3 { CD1:132.867 } ::sumAvg: 3.72 atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } atom: 578 52F-QD D 7.002 ambi=3 { CD1:130.696 } ::sumAvg: 4.75 atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } atom: 590 53V-H N 8.865 ambi=1 { N:118.244 } ::sumAvg: 4.385 atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } atom: 593 53V-HG1 G1 0.591 ambi=2 { CG1:21.796 } :: atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } atom: 594 53V-HG2 G2 0.46 ambi=2 { CG2:20.23 } ::sumAvg: 4.195 atom: 593 53V-HG1 G1 0.591 ambi=2 { CG1:21.796 } atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } :: atom: 594 53V-HG2 G2 0.46 ambi=2 { CG2:20.23 } atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } ::sumAvg: 4.195 atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } atom: 601 54K-H N 8.335 ambi=1 { N:120.334 } ::sumAvg: 4.63 atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } atom: 602 54K-HA A 4.324 ambi=1 { CA:58.039 } ::sumAvg: 2.44 atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } atom: 603 54K-HB2 B 1.78 ambi=2 { CB:33.974 } :: atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } atom: 604 54K-HB3 B 1.703 ambi=2 { CB:33.974 } ::sumAvg: 4.41 atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } atom: 605 54K-HG2 G 1.531 ambi=2 { CG:24.844 } :: atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } atom: 606 54K-HG3 G 1.468 ambi=2 { CG:24.844 } ::sumAvg: 4.82 atom: 605 54K-HG2 G 1.531 ambi=2 { CG:24.844 } atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } :: atom: 606 54K-HG3 G 1.468 ambi=2 { CG:24.844 } atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } ::sumAvg: 4.82 atom: 1 2T-HA A 3.782 ambi=1 { CA:61.906 } atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } ::sumAvg: 4.66 atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } atom: 1 2T-HA A 3.782 ambi=1 { CA:61.906 } ::sumAvg: 4.66 atom: 2 2T-HB B 4.147 ambi=1 { CB:69.449 } atom: 8 3D-H N 8.636 ambi=1 { N:125.85 } ::sumAvg: 3.795 atom: 3 2T-HG2 G2 1.335 ambi=1 { CG2:21.549 } atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } ::sumAvg: 4.52 atom: 9 3D-HA A 4.803 ambi=1 { CA:54.454 } atom: 3 2T-HG2 G2 1.335 ambi=1 { CG2:21.549 } ::sumAvg: 4.52 atom: 602 54K-HA A 4.324 ambi=1 { CA:58.039 } atom: 3 2T-HG2 G2 1.335 ambi=1 { CG2:21.549 } ::sumAvg: 4.86 atom: 10 3D-HB2 B 2.282 ambi=2 { CB:41.426 } atom: 17 4F-HA A 5.042 ambi=1 { CA:55.505 } :: atom: 11 3D-HB3 B 2.214 ambi=2 { CB:41.426 } atom: 17 4F-HA A 5.042 ambi=1 { CA:55.505 } ::sumAvg: 4.585 atom: 17 4F-HA A 5.042 ambi=1 { CA:55.505 } atom: 10 3D-HB2 B 2.282 ambi=2 { CB:41.426 } :: atom: 17 4F-HA A 5.042 ambi=1 { CA:55.505 } atom: 11 3D-HB3 B 2.214 ambi=2 { CB:41.426 } ::sumAvg: 4.585 atom: 10 3D-HB2 B 2.282 ambi=2 { CB:41.426 } atom: 577 52F-HB3 B 3.009 ambi=1 { CB:40.52 } :: atom: 11 3D-HB3 B 2.214 ambi=2 { CB:41.426 } atom: 577 52F-HB3 B 3.009 ambi=1 { CB:40.52 } ::sumAvg: 3.625 atom: 10 3D-HB2 B 2.282 ambi=2 { CB:41.426 } atom: 603 54K-HB2 B 1.78 ambi=2 { CB:33.974 } :: atom: 10 3D-HB2 B 2.282 ambi=2 { CB:41.426 } atom: 604 54K-HB3 B 1.703 ambi=2 { CB:33.974 } :: atom: 11 3D-HB3 B 2.214 ambi=2 { CB:41.426 } atom: 603 54K-HB2 B 1.78 ambi=2 { CB:33.974 } :: atom: 11 3D-HB3 B 2.214 ambi=2 { CB:41.426 } atom: 604 54K-HB3 B 1.703 ambi=2 { CB:33.974 } ::sumAvg: 4.785 atom: 603 54K-HB2 B 1.78 ambi=2 { CB:33.974 } atom: 10 3D-HB2 B 2.282 ambi=2 { CB:41.426 } :: atom: 604 54K-HB3 B 1.703 ambi=2 { CB:33.974 } atom: 10 3D-HB2 B 2.282 ambi=2 { CB:41.426 } :: atom: 603 54K-HB2 B 1.78 ambi=2 { CB:33.974 } atom: 11 3D-HB3 B 2.214 ambi=2 { CB:41.426 } :: atom: 604 54K-HB3 B 1.703 ambi=2 { CB:33.974 } atom: 11 3D-HB3 B 2.214 ambi=2 { CB:41.426 } ::sumAvg: 4.785 atom: 17 4F-HA A 5.042 ambi=1 { CA:55.505 } atom: 18 4F-QB B 3.08 ambi=2 { CB:41.288 } ::sumAvg: 2.18 atom: 17 4F-HA A 5.042 ambi=1 { CA:55.505 } atom: 20 4F-QD D 7.184 ambi=3 { CD1:132.867 } ::sumAvg: 3.75 atom: 17 4F-HA A 5.042 ambi=1 { CA:55.505 } atom: 34 5L-HB2 B 1.684 ambi=1 { CB:42.932 } :: atom: 17 4F-HA A 5.042 ambi=1 { CA:55.505 } atom: 35 5L-HB3 B 1.263 ambi=1 { CB:42.932 } ::sumAvg: 4.505 atom: 17 4F-HA A 5.042 ambi=1 { CA:55.505 } atom: 32 5L-H N 8.498 ambi=1 { N:123.329 } ::sumAvg: 2.355 atom: 17 4F-HA A 5.042 ambi=1 { CA:55.505 } atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } ::sumAvg: 4.335 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 17 4F-HA A 5.042 ambi=1 { CA:55.505 } ::sumAvg: 4.335 atom: 17 4F-HA A 5.042 ambi=1 { CA:55.505 } atom: 578 52F-QD D 7.002 ambi=3 { CD1:130.696 } ::sumAvg: 3.2 atom: 17 4F-HA A 5.042 ambi=1 { CA:55.505 } atom: 580 52F-QE E 7.314 ambi=3 { CE1:131.523 } ::sumAvg: 3.2 atom: 17 4F-HA A 5.042 ambi=1 { CA:55.505 } atom: 590 53V-H N 8.865 ambi=1 { N:118.244 } ::sumAvg: 4.8 atom: 18 4F-QB B 3.08 ambi=2 { CB:41.288 } atom: 35 5L-HB3 B 1.263 ambi=1 { CB:42.932 } ::sumAvg: 4.545 atom: 35 5L-HB3 B 1.263 ambi=1 { CB:42.932 } atom: 18 4F-QB B 3.08 ambi=2 { CB:41.288 } ::sumAvg: 4.545 atom: 18 4F-QB B 3.08 ambi=2 { CB:41.288 } atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } ::sumAvg: 4.67 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 18 4F-QB B 3.08 ambi=2 { CB:41.288 } ::sumAvg: 4.67 atom: 18 4F-QB B 3.08 ambi=2 { CB:41.288 } atom: 48 6A-HB B 1.329 ambi=1 { CB:23.746 } ::sumAvg: 4.84 atom: 48 6A-HB B 1.329 ambi=1 { CB:23.746 } atom: 18 4F-QB B 3.08 ambi=2 { CB:41.288 } ::sumAvg: 4.84 atom: 18 4F-QB B 3.08 ambi=2 { CB:41.288 } atom: 580 52F-QE E 7.314 ambi=3 { CE1:131.523 } ::sumAvg: 4.74 atom: 18 4F-QB B 3.08 ambi=2 { CB:41.288 } atom: 590 53V-H N 8.865 ambi=1 { N:118.244 } ::sumAvg: 4.92 atom: 17 4F-HA A 5.042 ambi=1 { CA:55.505 } atom: 16 4F-H N 8.608 ambi=1 { N:117.566 } ::sumAvg: 2.915 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 16 4F-H N 8.608 ambi=1 { N:117.566 } ::sumAvg: 4.99 atom: 575 52F-HA A 5.345 ambi=1 { CA:56.478 } atom: 16 4F-H N 8.608 ambi=1 { N:117.566 } ::sumAvg: 4.285 atom: 577 52F-HB3 B 3.009 ambi=1 { CB:40.52 } atom: 16 4F-H N 8.608 ambi=1 { N:117.566 } ::sumAvg: 4.425 atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } atom: 16 4F-H N 8.608 ambi=1 { N:117.566 } ::sumAvg: 4.81 atom: 48 6A-HB B 1.329 ambi=1 { CB:23.746 } atom: 24 4F-HZ Z 6.967 ambi=1 { CZ:128.691 } ::sumAvg: 3.585 atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } atom: 24 4F-HZ Z 6.967 ambi=1 { CZ:128.691 } ::sumAvg: 4.415 atom: 35 5L-HB3 B 1.263 ambi=1 { CB:42.932 } atom: 20 4F-QD D 7.184 ambi=3 { CD1:132.867 } ::sumAvg: 4.63 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 20 4F-QD D 7.184 ambi=3 { CD1:132.867 } ::sumAvg: 4.245 atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } atom: 20 4F-QD D 7.184 ambi=3 { CD1:132.867 } ::sumAvg: 3.205 atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } atom: 20 4F-QD D 7.184 ambi=3 { CD1:132.867 } ::sumAvg: 4.32 atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } atom: 22 4F-QE E 7.066 ambi=3 { CE1:130.475 } ::sumAvg: 3.04 atom: 592 53V-HB B 1.793 ambi=1 { CB:35.707 } atom: 22 4F-QE E 7.066 ambi=3 { CE1:130.475 } ::sumAvg: 4.82 atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } atom: 22 4F-QE E 7.066 ambi=3 { CE1:130.475 } ::sumAvg: 2.66 atom: 632 56T-HG2 G2 1.3 ambi=1 { CG2:22.509 } atom: 22 4F-QE E 7.066 ambi=3 { CE1:130.475 } ::sumAvg: 2.94 atom: 665 59L-HB2 B 2.233 ambi=2 { CB:41.727 } atom: 22 4F-QE E 7.066 ambi=3 { CE1:130.475 } :: atom: 666 59L-HB3 B 1.495 ambi=2 { CB:41.727 } atom: 22 4F-QE E 7.066 ambi=3 { CE1:130.475 } ::sumAvg: 4.155 atom: 34 5L-HB2 B 1.684 ambi=1 { CB:42.932 } atom: 575 52F-HA A 5.345 ambi=1 { CA:56.478 } ::sumAvg: 4.55 atom: 575 52F-HA A 5.345 ambi=1 { CA:56.478 } atom: 34 5L-HB2 B 1.684 ambi=1 { CB:42.932 } ::sumAvg: 4.55 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 32 5L-H N 8.498 ambi=1 { N:123.329 } ::sumAvg: 2.89 atom: 575 52F-HA A 5.345 ambi=1 { CA:56.478 } atom: 32 5L-H N 8.498 ambi=1 { N:123.329 } ::sumAvg: 4.685 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 34 5L-HB2 B 1.684 ambi=1 { CB:42.932 } :: atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 35 5L-HB3 B 1.263 ambi=1 { CB:42.932 } ::sumAvg: 2.45 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } ::sumAvg: 2.125 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 36 5L-HG G 1.266 ambi=1 { CG:26.692 } ::sumAvg: 3.26 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 46 6A-H N 9.325 ambi=1 { N:129.53 } ::sumAvg: 2.17 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 48 6A-HB B 1.329 ambi=1 { CB:23.746 } ::sumAvg: 4.06 atom: 48 6A-HB B 1.329 ambi=1 { CB:23.746 } atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } ::sumAvg: 4.06 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 553 50M-HE E 1.91 ambi=1 { CE:17.384 } ::sumAvg: 4.535 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 560 51I-H N 9.056 ambi=1 { N:118.753 } ::sumAvg: 4.69 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 566 51I-HD1 D1 0.625 ambi=1 { CD1:13.456 } ::sumAvg: 4.835 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 574 52F-H N 8.324 ambi=1 { N:120.91 } ::sumAvg: 4.67 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 575 52F-HA A 5.345 ambi=1 { CA:56.478 } ::sumAvg: 2.46 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 576 52F-HB2 B 2.866 ambi=1 { CB:40.52 } :: atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 577 52F-HB3 B 3.009 ambi=1 { CB:40.52 } ::sumAvg: 4.565 atom: 576 52F-HB2 B 2.866 ambi=1 { CB:40.52 } atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } :: atom: 577 52F-HB3 B 3.009 ambi=1 { CB:40.52 } atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } ::sumAvg: 4.565 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 578 52F-QD D 7.002 ambi=3 { CD1:130.696 } ::sumAvg: 3.32 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 580 52F-QE E 7.314 ambi=3 { CE1:131.523 } ::sumAvg: 3.805 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 582 52F-HZ Z 7.314 ambi=1 { CZ:129.844 } ::sumAvg: 4.78 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 590 53V-H N 8.865 ambi=1 { N:118.244 } ::sumAvg: 3.94 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 593 53V-HG1 G1 0.591 ambi=2 { CG1:21.796 } :: atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 594 53V-HG2 G2 0.46 ambi=2 { CG2:20.23 } ::sumAvg: 4.715 atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 937 81L-HD1 D1 0.843 ambi=2 { CD1:25.205 } :: atom: 33 5L-HA A 4.532 ambi=1 { CA:54.222 } atom: 938 81L-HD2 D2 0.755 ambi=2 { CD2:23.24 } ::sumAvg: 4.99 atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } ::sumAvg: 4.625 atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } atom: 48 6A-HB B 1.329 ambi=1 { CB:23.746 } :: atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } atom: 48 6A-HB B 1.329 ambi=1 { CB:23.746 } ::sumAvg: 4.24 atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } ::sumAvg: 4.86 atom: 362 34R-HB2 B 1.51 ambi=2 { CB:30.275 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 363 34R-HB3 B 1.927 ambi=2 { CB:30.275 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 362 34R-HB2 B 1.51 ambi=2 { CB:30.275 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } :: atom: 363 34R-HB3 B 1.927 ambi=2 { CB:30.275 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } ::sumAvg: 2.82 atom: 364 34R-HG2 G 1.503 ambi=2 { CG:24.976 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 365 34R-HG3 G 1.425 ambi=2 { CG:24.976 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 364 34R-HG2 G 1.503 ambi=2 { CG:24.976 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } :: atom: 365 34R-HG3 G 1.425 ambi=2 { CG:24.976 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } ::sumAvg: 3.3 atom: 366 34R-HD2 D 2.899 ambi=2 { CD:41.134 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 367 34R-HD3 D 2.754 ambi=2 { CD:41.134 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 366 34R-HD2 D 2.899 ambi=2 { CD:41.134 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } :: atom: 367 34R-HD3 D 2.754 ambi=2 { CD:41.134 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } ::sumAvg: 4.8 atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } atom: 378 35T-HB B 3.764 ambi=1 { CB:74.055 } :: atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } atom: 378 35T-HB B 3.764 ambi=1 { CB:74.055 } ::sumAvg: 4.685 atom: 548 50M-HA A 5.723 ambi=1 { CA:54.073 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 548 50M-HA A 5.723 ambi=1 { CA:54.073 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } ::sumAvg: 3.53 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } ::sumAvg: 3.185 atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } atom: 562 51I-HB B 1.831 ambi=1 { CB:41.447 } :: atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } atom: 562 51I-HB B 1.831 ambi=1 { CB:41.447 } ::sumAvg: 4.845 atom: 562 51I-HB B 1.831 ambi=1 { CB:41.447 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 562 51I-HB B 1.831 ambi=1 { CB:41.447 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } ::sumAvg: 4.845 atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } atom: 563 51I-HG12 G1 1.332 ambi=2 { CG1:24.899 } :: atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } atom: 564 51I-HG13 G1 0.992 ambi=2 { CG1:24.899 } :: atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } atom: 563 51I-HG12 G1 1.332 ambi=2 { CG1:24.899 } ::sumAvg: 4.73 atom: 563 51I-HG12 G1 1.332 ambi=2 { CG1:24.899 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 564 51I-HG13 G1 0.992 ambi=2 { CG1:24.899 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 563 51I-HG12 G1 1.332 ambi=2 { CG1:24.899 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } ::sumAvg: 4.73 atom: 576 52F-HB2 B 2.866 ambi=1 { CB:40.52 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 577 52F-HB3 B 3.009 ambi=1 { CB:40.52 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 576 52F-HB2 B 2.866 ambi=1 { CB:40.52 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } :: atom: 577 52F-HB3 B 3.009 ambi=1 { CB:40.52 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } ::sumAvg: 4.57 atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } atom: 934 81L-HB2 B 1.61 ambi=1 { CB:41.756 } :: atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } atom: 935 81L-HB3 B 1.55 ambi=1 { CB:41.756 } :: atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } atom: 934 81L-HB2 B 1.61 ambi=1 { CB:41.756 } :: atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } atom: 935 81L-HB3 B 1.55 ambi=1 { CB:41.756 } ::sumAvg: 4.3 atom: 934 81L-HB2 B 1.61 ambi=1 { CB:41.756 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 935 81L-HB3 B 1.55 ambi=1 { CB:41.756 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 934 81L-HB2 B 1.61 ambi=1 { CB:41.756 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } :: atom: 935 81L-HB3 B 1.55 ambi=1 { CB:41.756 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } ::sumAvg: 4.3 atom: 958 83H-HA A 4.535 ambi=1 { CA:55.951 } atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } :: atom: 958 83H-HA A 4.535 ambi=1 { CA:55.951 } atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } ::sumAvg: 4.965 atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } atom: 961 83H-HD2 D2 6.923 ambi=1 { CD2:119.424 } :: atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } atom: 961 83H-HD2 D2 6.923 ambi=1 { CD2:119.424 } ::sumAvg: 4.055 atom: 37 5L-HD1 D1 0.475 ambi=2 { CD1:23.132 } atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } :: atom: 38 5L-HD2 D2 0.695 ambi=2 { CD2:25.505 } atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } ::sumAvg: 3.125 atom: 36 5L-HG G 1.266 ambi=1 { CG:26.692 } atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } ::sumAvg: 4.445 atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } atom: 36 5L-HG G 1.266 ambi=1 { CG:26.692 } ::sumAvg: 4.445 atom: 36 5L-HG G 1.266 ambi=1 { CG:26.692 } atom: 548 50M-HA A 5.723 ambi=1 { CA:54.073 } ::sumAvg: 4.64 atom: 548 50M-HA A 5.723 ambi=1 { CA:54.073 } atom: 36 5L-HG G 1.266 ambi=1 { CG:26.692 } ::sumAvg: 4.64 atom: 36 5L-HG G 1.266 ambi=1 { CG:26.692 } atom: 560 51I-H N 9.056 ambi=1 { N:118.753 } ::sumAvg: 4.645 atom: 937 81L-HD1 D1 0.843 ambi=2 { CD1:25.205 } atom: 36 5L-HG G 1.266 ambi=1 { CG:26.692 } :: atom: 938 81L-HD2 D2 0.755 ambi=2 { CD2:23.24 } atom: 36 5L-HG G 1.266 ambi=1 { CG:26.692 } ::sumAvg: 2.695 atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } atom: 46 6A-H N 9.325 ambi=1 { N:129.53 } ::sumAvg: 2.93 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 46 6A-H N 9.325 ambi=1 { N:129.53 } ::sumAvg: 4.92 atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } atom: 48 6A-HB B 1.329 ambi=1 { CB:23.746 } ::sumAvg: 2.12 atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } atom: 53 7G-H N 8.639 ambi=1 { N:106.888 } ::sumAvg: 2.285 atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } :: atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } atom: 55 7G-HA3 A 3.508 ambi=1 { CA:45.351 } ::sumAvg: 4.37 atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } :: atom: 55 7G-HA3 A 3.508 ambi=1 { CA:45.351 } atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } ::sumAvg: 4.37 atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } atom: 553 50M-HE E 1.91 ambi=1 { CE:17.384 } ::sumAvg: 3.99 atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } atom: 566 51I-HD1 D1 0.625 ambi=1 { CD1:13.456 } ::sumAvg: 4.92 atom: 566 51I-HD1 D1 0.625 ambi=1 { CD1:13.456 } atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } ::sumAvg: 4.92 atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } atom: 593 53V-HG1 G1 0.591 ambi=2 { CG1:21.796 } :: atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } atom: 594 53V-HG2 G2 0.46 ambi=2 { CG2:20.23 } ::sumAvg: 4.33 atom: 593 53V-HG1 G1 0.591 ambi=2 { CG1:21.796 } atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } :: atom: 594 53V-HG2 G2 0.46 ambi=2 { CG2:20.23 } atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } ::sumAvg: 4.33 atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } atom: 668 59L-HD1 D1 0.861 ambi=2 { CD1:23.382 } :: atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } atom: 669 59L-HD2 D2 0.962 ambi=2 { CD2:25.509 } ::sumAvg: 3.56 atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } atom: 937 81L-HD1 D1 0.843 ambi=2 { CD1:25.205 } :: atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } atom: 938 81L-HD2 D2 0.755 ambi=2 { CD2:23.24 } ::sumAvg: 3.73 atom: 937 81L-HD1 D1 0.843 ambi=2 { CD1:25.205 } atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } :: atom: 938 81L-HD2 D2 0.755 ambi=2 { CD2:23.24 } atom: 47 6A-HA A 4.769 ambi=1 { CA:50.5 } ::sumAvg: 3.73 atom: 48 6A-HB B 1.329 ambi=1 { CB:23.746 } atom: 65 8I-HD1 D1 0.676 ambi=1 { CD1:14.378 } ::sumAvg: 4.245 atom: 575 52F-HA A 5.345 ambi=1 { CA:56.478 } atom: 48 6A-HB B 1.329 ambi=1 { CB:23.746 } ::sumAvg: 4.02 atom: 48 6A-HB B 1.329 ambi=1 { CB:23.746 } atom: 592 53V-HB B 1.793 ambi=1 { CB:35.707 } ::sumAvg: 4.32 atom: 48 6A-HB B 1.329 ambi=1 { CB:23.746 } atom: 630 56T-HA A 4.036 ambi=1 { CA:65.8 } ::sumAvg: 4.785 atom: 630 56T-HA A 4.036 ambi=1 { CA:65.8 } atom: 48 6A-HB B 1.329 ambi=1 { CB:23.746 } ::sumAvg: 4.785 atom: 48 6A-HB B 1.329 ambi=1 { CB:23.746 } atom: 663 59L-H N 7.302 ambi=1 { N:118.583 } ::sumAvg: 4.94 atom: 48 6A-HB B 1.329 ambi=1 { CB:23.746 } atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } :: atom: 48 6A-HB B 1.329 ambi=1 { CB:23.746 } atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } ::sumAvg: 4.275 atom: 535 49L-HB2 B 1.805 ambi=2 { CB:46.402 } atom: 63 8I-HG13 G1 0.941 ambi=1 { CG1:27.002 } ::sumAvg: 3.84 atom: 63 8I-HG13 G1 0.941 ambi=1 { CG1:27.002 } atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } ::sumAvg: 3.98 atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } atom: 63 8I-HG13 G1 0.941 ambi=1 { CG1:27.002 } ::sumAvg: 3.98 atom: 566 51I-HD1 D1 0.625 ambi=1 { CD1:13.456 } atom: 62 8I-HG12 G1 1.454 ambi=1 { CG1:27.002 } ::sumAvg: 4.81 atom: 63 8I-HG13 G1 0.941 ambi=1 { CG1:27.002 } atom: 667 59L-HG G 1.653 ambi=1 { CG:26.993 } ::sumAvg: 4.935 atom: 62 8I-HG12 G1 1.454 ambi=1 { CG1:27.002 } atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } :: atom: 62 8I-HG12 G1 1.454 ambi=1 { CG1:27.002 } atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } :: atom: 63 8I-HG13 G1 0.941 ambi=1 { CG1:27.002 } atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } :: atom: 63 8I-HG13 G1 0.941 ambi=1 { CG1:27.002 } atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } ::sumAvg: 4.28 atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } atom: 62 8I-HG12 G1 1.454 ambi=1 { CG1:27.002 } :: atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } atom: 62 8I-HG12 G1 1.454 ambi=1 { CG1:27.002 } :: atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } atom: 63 8I-HG13 G1 0.941 ambi=1 { CG1:27.002 } :: atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } atom: 63 8I-HG13 G1 0.941 ambi=1 { CG1:27.002 } ::sumAvg: 4.28 atom: 62 8I-HG12 G1 1.454 ambi=1 { CG1:27.002 } atom: 713 63M-HG2 G 2.829 ambi=1 { CG:32.723 } :: atom: 62 8I-HG12 G1 1.454 ambi=1 { CG1:27.002 } atom: 714 63M-HG3 G 1.982 ambi=1 { CG:32.723 } ::sumAvg: 3.63 atom: 62 8I-HG12 G1 1.454 ambi=1 { CG1:27.002 } atom: 715 63M-HE E 2.024 ambi=1 { CE:16.436 } ::sumAvg: 3.58 atom: 715 63M-HE E 2.024 ambi=1 { CE:16.436 } atom: 62 8I-HG12 G1 1.454 ambi=1 { CG1:27.002 } ::sumAvg: 3.58 atom: 864 75V-HG1 G1 0.92 ambi=2 { CG1:22.169 } atom: 62 8I-HG12 G1 1.454 ambi=1 { CG1:27.002 } :: atom: 865 75V-HG2 G2 0.9 ambi=2 { CG2:22.497 } atom: 62 8I-HG12 G1 1.454 ambi=1 { CG1:27.002 } ::sumAvg: 4.8 atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 62 8I-HG12 G1 1.454 ambi=1 { CG1:27.002 } :: atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 63 8I-HG13 G1 0.941 ambi=1 { CG1:27.002 } ::sumAvg: 3.575 atom: 62 8I-HG12 G1 1.454 ambi=1 { CG1:27.002 } atom: 886 77R-HB3 B 1.934 ambi=2 { CB:30.893 } ::sumAvg: 4.7 atom: 886 77R-HB3 B 1.934 ambi=2 { CB:30.893 } atom: 62 8I-HG12 G1 1.454 ambi=1 { CG1:27.002 } ::sumAvg: 4.7 atom: 63 8I-HG13 G1 0.941 ambi=1 { CG1:27.002 } atom: 53 7G-H N 8.639 ambi=1 { N:106.888 } ::sumAvg: 4.68 atom: 548 50M-HA A 5.723 ambi=1 { CA:54.073 } atom: 53 7G-H N 8.639 ambi=1 { N:106.888 } ::sumAvg: 4.96 atom: 889 77R-QD D 3.224 ambi=2 { CD:43.565 } atom: 53 7G-H N 8.639 ambi=1 { N:106.888 } ::sumAvg: 4.755 atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } :: atom: 55 7G-HA3 A 3.508 ambi=1 { CA:45.351 } atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } ::sumAvg: 4.45 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } :: atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 55 7G-HA3 A 3.508 ambi=1 { CA:45.351 } ::sumAvg: 4.45 atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 61 8I-HB B 1.568 ambi=1 { CB:43.405 } ::sumAvg: 4.71 atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 65 8I-HD1 D1 0.676 ambi=1 { CD1:14.378 } ::sumAvg: 4.995 atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 533 49L-H N 9.435 ambi=1 { N:125.541 } ::sumAvg: 4.91 atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 535 49L-HB2 B 1.805 ambi=2 { CB:46.402 } :: atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 536 49L-HB3 B 1.326 ambi=2 { CB:46.402 } ::sumAvg: 4.81 atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } ::sumAvg: 4.62 atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } ::sumAvg: 4.62 atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 547 50M-H N 8.978 ambi=1 { N:123.131 } ::sumAvg: 4.87 atom: 548 50M-HA A 5.723 ambi=1 { CA:54.073 } atom: 55 7G-HA3 A 3.508 ambi=1 { CA:45.351 } ::sumAvg: 3.95 atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } :: atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } ::sumAvg: 4.49 atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 551 50M-HG2 G 2.518 ambi=2 { CG:32.262 } :: atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 552 50M-HG3 G 2.378 ambi=2 { CG:32.262 } ::sumAvg: 4.5 atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 553 50M-HE E 1.91 ambi=1 { CE:17.384 } :: atom: 55 7G-HA3 A 3.508 ambi=1 { CA:45.351 } atom: 553 50M-HE E 1.91 ambi=1 { CE:17.384 } ::sumAvg: 2.68 atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 560 51I-H N 9.056 ambi=1 { N:118.753 } ::sumAvg: 3.605 atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 563 51I-HG12 G1 1.332 ambi=2 { CG1:24.899 } :: atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 564 51I-HG13 G1 0.992 ambi=2 { CG1:24.899 } ::sumAvg: 4.51 atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 566 51I-HD1 D1 0.625 ambi=1 { CD1:13.456 } ::sumAvg: 4.87 atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 668 59L-HD1 D1 0.861 ambi=2 { CD1:23.382 } :: atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 669 59L-HD2 D2 0.962 ambi=2 { CD2:25.509 } ::sumAvg: 4.465 atom: 54 7G-HA2 A 5.721 ambi=1 { CA:45.351 } atom: 899 78L-H N 8.252 ambi=1 { N:127.062 } :: atom: 55 7G-HA3 A 3.508 ambi=1 { CA:45.351 } atom: 899 78L-H N 8.252 ambi=1 { N:127.062 } ::sumAvg: 3.605 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 59 8I-H N 9.356 ambi=1 { N:122.82 } ::sumAvg: 2.955 atom: 523 48N-HA A 5.629 ambi=1 { CA:51.962 } atom: 59 8I-H N 9.356 ambi=1 { N:122.82 } ::sumAvg: 4.665 atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } atom: 59 8I-H N 9.356 ambi=1 { N:122.82 } ::sumAvg: 4.61 atom: 535 49L-HB2 B 1.805 ambi=2 { CB:46.402 } atom: 59 8I-H N 9.356 ambi=1 { N:122.82 } :: atom: 536 49L-HB3 B 1.326 ambi=2 { CB:46.402 } atom: 59 8I-H N 9.356 ambi=1 { N:122.82 } ::sumAvg: 3.175 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 62 8I-HG12 G1 1.454 ambi=1 { CG1:27.002 } :: atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 63 8I-HG13 G1 0.941 ambi=1 { CG1:27.002 } ::sumAvg: 2.655 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 61 8I-HB B 1.568 ambi=1 { CB:43.405 } ::sumAvg: 3.035 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 65 8I-HD1 D1 0.676 ambi=1 { CD1:14.378 } ::sumAvg: 3.89 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 64 8I-HG2 G2 0.837 ambi=1 { CG2:18.861 } ::sumAvg: 2.37 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } ::sumAvg: 4.125 atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } ::sumAvg: 4.125 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 73 9R-H N 9.364 ambi=1 { N:126.323 } ::sumAvg: 2.265 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 74 9R-HA A 5.609 ambi=1 { CA:54.192 } ::sumAvg: 4.46 atom: 74 9R-HA A 5.609 ambi=1 { CA:54.192 } atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } ::sumAvg: 4.46 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 533 49L-H N 9.435 ambi=1 { N:125.541 } ::sumAvg: 4.81 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 535 49L-HB2 B 1.805 ambi=2 { CB:46.402 } :: atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 536 49L-HB3 B 1.326 ambi=2 { CB:46.402 } ::sumAvg: 4.815 atom: 535 49L-HB2 B 1.805 ambi=2 { CB:46.402 } atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } :: atom: 536 49L-HB3 B 1.326 ambi=2 { CB:46.402 } atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } ::sumAvg: 4.815 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 668 59L-HD1 D1 0.861 ambi=2 { CD1:23.382 } :: atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 669 59L-HD2 D2 0.962 ambi=2 { CD2:25.509 } ::sumAvg: 4.165 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 713 63M-HG2 G 2.829 ambi=1 { CG:32.723 } ::sumAvg: 4.76 atom: 713 63M-HG2 G 2.829 ambi=1 { CG:32.723 } atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } ::sumAvg: 4.76 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 715 63M-HE E 2.024 ambi=1 { CE:16.436 } ::sumAvg: 4.525 atom: 715 63M-HE E 2.024 ambi=1 { CE:16.436 } atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } ::sumAvg: 4.525 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 872 76E-H N 9.029 ambi=1 { N:124.572 } ::sumAvg: 4.715 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 883 77R-H N 8.962 ambi=1 { N:122.875 } ::sumAvg: 4.945 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 885 77R-HB2 B 1.723 ambi=2 { CB:30.893 } :: atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 886 77R-HB3 B 1.934 ambi=2 { CB:30.893 } ::sumAvg: 4.76 atom: 885 77R-HB2 B 1.723 ambi=2 { CB:30.893 } atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } :: atom: 886 77R-HB3 B 1.934 ambi=2 { CB:30.893 } atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } ::sumAvg: 4.76 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 899 78L-H N 8.252 ambi=1 { N:127.062 } ::sumAvg: 2.945 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 901 78L-HB2 B 1.493 ambi=1 { CB:43.228 } ::sumAvg: 4.26 atom: 901 78L-HB2 B 1.493 ambi=1 { CB:43.228 } atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } ::sumAvg: 4.26 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 903 78L-HG G 1.425 ambi=1 { CG:26.712 } ::sumAvg: 3.29 atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 904 78L-HD1 D1 0.804 ambi=2 { CD1:24.901 } :: atom: 60 8I-HA A 4.957 ambi=1 { CA:59.551 } atom: 905 78L-HD2 D2 0.832 ambi=2 { CD2:23.402 } ::sumAvg: 3.995 atom: 63 8I-HG13 G1 0.941 ambi=1 { CG1:27.002 } atom: 61 8I-HB B 1.568 ambi=1 { CB:43.405 } ::sumAvg: 2.47 atom: 61 8I-HB B 1.568 ambi=1 { CB:43.405 } atom: 93 10I-HG13 G1 1.112 ambi=1 { CG1:29.107 } ::sumAvg: 4.085 atom: 93 10I-HG13 G1 1.112 ambi=1 { CG1:29.107 } atom: 61 8I-HB B 1.568 ambi=1 { CB:43.405 } ::sumAvg: 4.085 atom: 61 8I-HB B 1.568 ambi=1 { CB:43.405 } atom: 533 49L-H N 9.435 ambi=1 { N:125.541 } ::sumAvg: 3.48 atom: 65 8I-HD1 D1 0.676 ambi=1 { CD1:14.378 } atom: 306 29F-QD D 7.151 ambi=3 { CD1:131.074 } ::sumAvg: 4.665 atom: 65 8I-HD1 D1 0.676 ambi=1 { CD1:14.378 } atom: 310 29F-HZ Z 7.036 ambi=1 { CZ:128.731 } ::sumAvg: 4.64 atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } atom: 65 8I-HD1 D1 0.676 ambi=1 { CD1:14.378 } ::sumAvg: 3.65 atom: 563 51I-HG12 G1 1.332 ambi=2 { CG1:24.899 } atom: 65 8I-HD1 D1 0.676 ambi=1 { CD1:14.378 } ::sumAvg: 3.925 atom: 664 59L-HA A 3.907 ambi=1 { CA:57.979 } atom: 65 8I-HD1 D1 0.676 ambi=1 { CD1:14.378 } ::sumAvg: 3.83 atom: 65 8I-HD1 D1 0.676 ambi=1 { CD1:14.378 } atom: 667 59L-HG G 1.653 ambi=1 { CG:26.993 } ::sumAvg: 4.02 atom: 667 59L-HG G 1.653 ambi=1 { CG:26.993 } atom: 65 8I-HD1 D1 0.676 ambi=1 { CD1:14.378 } ::sumAvg: 4.02 atom: 65 8I-HD1 D1 0.676 ambi=1 { CD1:14.378 } atom: 697 62L-HB2 B 1.26 ambi=1 { CB:40.241 } ::sumAvg: 2.315 atom: 697 62L-HB2 B 1.26 ambi=1 { CB:40.241 } atom: 65 8I-HD1 D1 0.676 ambi=1 { CD1:14.378 } ::sumAvg: 2.315 atom: 699 62L-HG G 1.328 ambi=1 { CG:25.773 } atom: 65 8I-HD1 D1 0.676 ambi=1 { CD1:14.378 } ::sumAvg: 4.055 atom: 710 63M-HA A 3.771 ambi=1 { CA:60.699 } atom: 65 8I-HD1 D1 0.676 ambi=1 { CD1:14.378 } ::sumAvg: 3.46 atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } atom: 65 8I-HD1 D1 0.676 ambi=1 { CD1:14.378 } ::sumAvg: 4.25 atom: 64 8I-HG2 G2 0.837 ambi=1 { CG2:18.861 } atom: 89 10I-H N 9.479 ambi=1 { N:128.583 } ::sumAvg: 4.155 atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 64 8I-HG2 G2 0.837 ambi=1 { CG2:18.861 } ::sumAvg: 4.185 atom: 92 10I-HG12 G1 1.701 ambi=1 { CG1:29.107 } atom: 64 8I-HG2 G2 0.837 ambi=1 { CG2:18.861 } ::sumAvg: 3.085 atom: 64 8I-HG2 G2 0.837 ambi=1 { CG2:18.861 } atom: 533 49L-H N 9.435 ambi=1 { N:125.541 } ::sumAvg: 4.18 atom: 64 8I-HG2 G2 0.837 ambi=1 { CG2:18.861 } atom: 697 62L-HB2 B 1.26 ambi=1 { CB:40.241 } ::sumAvg: 4.595 atom: 697 62L-HB2 B 1.26 ambi=1 { CB:40.241 } atom: 64 8I-HG2 G2 0.837 ambi=1 { CG2:18.861 } ::sumAvg: 4.595 atom: 64 8I-HG2 G2 0.837 ambi=1 { CG2:18.861 } atom: 710 63M-HA A 3.771 ambi=1 { CA:60.699 } ::sumAvg: 3.35 atom: 64 8I-HG2 G2 0.837 ambi=1 { CG2:18.861 } atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } ::sumAvg: 3.8 atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } atom: 64 8I-HG2 G2 0.837 ambi=1 { CG2:18.861 } ::sumAvg: 3.8 atom: 64 8I-HG2 G2 0.837 ambi=1 { CG2:18.861 } atom: 863 75V-HB B 1.925 ambi=1 { CB:34.5 } ::sumAvg: 4.865 atom: 863 75V-HB B 1.925 ambi=1 { CB:34.5 } atom: 64 8I-HG2 G2 0.837 ambi=1 { CG2:18.861 } ::sumAvg: 4.865 atom: 64 8I-HG2 G2 0.837 ambi=1 { CG2:18.861 } atom: 873 76E-HA A 4.861 ambi=1 { CA:53.757 } ::sumAvg: 4.47 atom: 873 76E-HA A 4.861 ambi=1 { CA:53.757 } atom: 64 8I-HG2 G2 0.837 ambi=1 { CG2:18.861 } ::sumAvg: 4.47 atom: 64 8I-HG2 G2 0.837 ambi=1 { CG2:18.861 } atom: 883 77R-H N 8.962 ambi=1 { N:122.875 } ::sumAvg: 4.905 atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 64 8I-HG2 G2 0.837 ambi=1 { CG2:18.861 } ::sumAvg: 3.635 atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } atom: 81 9R-HE E 7.343 ambi=1 { NE:84.728 } ::sumAvg: 3.435 atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } ::sumAvg: 4.735 atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } ::sumAvg: 4.735 atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } atom: 106 11V-HG1 G1 0.989 ambi=2 { CG1:21.421 } :: atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } atom: 107 11V-HG2 G2 0.914 ambi=2 { CG2:20.839 } ::sumAvg: 4.54 atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } atom: 526 48N-HD21 D2 7.191 ambi=2 { ND2:109.781 } :: atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } atom: 527 48N-HD22 D2 6.787 ambi=2 { ND2:109.781 } ::sumAvg: 4.67 atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } ::sumAvg: 4.83 atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } ::sumAvg: 4.83 atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } atom: 872 76E-H N 9.029 ambi=1 { N:124.572 } ::sumAvg: 3.405 atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } atom: 876 76E-QG G 2.211 ambi=2 { CG:35.709 } ::sumAvg: 3.375 atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } ::sumAvg: 4.995 atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } ::sumAvg: 4.995 atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } atom: 899 78L-H N 8.252 ambi=1 { N:127.062 } ::sumAvg: 4.78 atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } atom: 900 78L-HA A 4.505 ambi=1 { CA:53.875 } ::sumAvg: 4.495 atom: 900 78L-HA A 4.505 ambi=1 { CA:53.875 } atom: 75 9R-QB B 1.67 ambi=2 { CB:33.4 } ::sumAvg: 4.495 atom: 93 10I-HG13 G1 1.112 ambi=1 { CG1:29.107 } atom: 73 9R-H N 9.364 ambi=1 { N:126.323 } ::sumAvg: 4.56 atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } atom: 73 9R-H N 9.364 ambi=1 { N:126.323 } ::sumAvg: 4.65 atom: 873 76E-HA A 4.861 ambi=1 { CA:53.757 } atom: 73 9R-H N 9.364 ambi=1 { N:126.323 } ::sumAvg: 4.755 atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 73 9R-H N 9.364 ambi=1 { N:126.323 } ::sumAvg: 3.65 atom: 74 9R-HA A 5.609 ambi=1 { CA:54.192 } atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } ::sumAvg: 4.43 atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 74 9R-HA A 5.609 ambi=1 { CA:54.192 } ::sumAvg: 4.43 atom: 74 9R-HA A 5.609 ambi=1 { CA:54.192 } atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } ::sumAvg: 4.715 atom: 74 9R-HA A 5.609 ambi=1 { CA:54.192 } atom: 524 48N-HB2 B 2.708 ambi=2 { CB:40.059 } :: atom: 74 9R-HA A 5.609 ambi=1 { CA:54.192 } atom: 525 48N-HB3 B 2.47 ambi=2 { CB:40.059 } ::sumAvg: 4.715 atom: 74 9R-HA A 5.609 ambi=1 { CA:54.192 } atom: 526 48N-HD21 D2 7.191 ambi=2 { ND2:109.781 } :: atom: 74 9R-HA A 5.609 ambi=1 { CA:54.192 } atom: 527 48N-HD22 D2 6.787 ambi=2 { ND2:109.781 } ::sumAvg: 4.83 atom: 74 9R-HA A 5.609 ambi=1 { CA:54.192 } atom: 872 76E-H N 9.029 ambi=1 { N:124.572 } ::sumAvg: 4.825 atom: 74 9R-HA A 5.609 ambi=1 { CA:54.192 } atom: 903 78L-HG G 1.425 ambi=1 { CG:26.712 } ::sumAvg: 4.055 atom: 77 9R-HG2 G 1.643 ambi=2 { CG:27.615 } atom: 81 9R-HE E 7.343 ambi=1 { NE:84.728 } :: atom: 78 9R-HG3 G 1.305 ambi=2 { CG:27.615 } atom: 81 9R-HE E 7.343 ambi=1 { NE:84.728 } ::sumAvg: 3.035 atom: 77 9R-HG2 G 1.643 ambi=2 { CG:27.615 } atom: 106 11V-HG1 G1 0.989 ambi=2 { CG1:21.421 } :: atom: 77 9R-HG2 G 1.643 ambi=2 { CG:27.615 } atom: 107 11V-HG2 G2 0.914 ambi=2 { CG2:20.839 } ::sumAvg: 3.435 atom: 77 9R-HG2 G 1.643 ambi=2 { CG:27.615 } atom: 526 48N-HD21 D2 7.191 ambi=2 { ND2:109.781 } :: atom: 77 9R-HG2 G 1.643 ambi=2 { CG:27.615 } atom: 527 48N-HD22 D2 6.787 ambi=2 { ND2:109.781 } :: atom: 78 9R-HG3 G 1.305 ambi=2 { CG:27.615 } atom: 526 48N-HD21 D2 7.191 ambi=2 { ND2:109.781 } :: atom: 78 9R-HG3 G 1.305 ambi=2 { CG:27.615 } atom: 527 48N-HD22 D2 6.787 ambi=2 { ND2:109.781 } ::sumAvg: 4.88 atom: 77 9R-HG2 G 1.643 ambi=2 { CG:27.615 } atom: 904 78L-HD1 D1 0.804 ambi=2 { CD1:24.901 } :: atom: 77 9R-HG2 G 1.643 ambi=2 { CG:27.615 } atom: 905 78L-HD2 D2 0.832 ambi=2 { CD2:23.402 } :: atom: 78 9R-HG3 G 1.305 ambi=2 { CG:27.615 } atom: 904 78L-HD1 D1 0.804 ambi=2 { CD1:24.901 } :: atom: 78 9R-HG3 G 1.305 ambi=2 { CG:27.615 } atom: 905 78L-HD2 D2 0.832 ambi=2 { CD2:23.402 } ::sumAvg: 3.63 atom: 79 9R-QD D 3.158 ambi=2 { CD:43.584 } atom: 505 46T-HB B 4.058 ambi=1 { CB:71.38 } ::sumAvg: 4.425 atom: 505 46T-HB B 4.058 ambi=1 { CB:71.38 } atom: 79 9R-QD D 3.158 ambi=2 { CD:43.584 } ::sumAvg: 4.425 atom: 79 9R-QD D 3.158 ambi=2 { CD:43.584 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } ::sumAvg: 4.605 atom: 876 76E-QG G 2.211 ambi=2 { CG:35.709 } atom: 79 9R-QD D 3.158 ambi=2 { CD:43.584 } ::sumAvg: 4.67 atom: 79 9R-QD D 3.158 ambi=2 { CD:43.584 } atom: 903 78L-HG G 1.425 ambi=1 { CG:26.712 } ::sumAvg: 4.79 atom: 903 78L-HG G 1.425 ambi=1 { CG:26.712 } atom: 79 9R-QD D 3.158 ambi=2 { CD:43.584 } ::sumAvg: 4.79 atom: 505 46T-HB B 4.058 ambi=1 { CB:71.38 } atom: 81 9R-HE E 7.343 ambi=1 { NE:84.728 } ::sumAvg: 4.43 atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 89 10I-H N 9.479 ambi=1 { N:128.583 } ::sumAvg: 2.965 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 89 10I-H N 9.479 ambi=1 { N:128.583 } ::sumAvg: 4.42 atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } atom: 89 10I-H N 9.479 ambi=1 { N:128.583 } ::sumAvg: 4.71 atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } ::sumAvg: 3.025 atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 92 10I-HG12 G1 1.701 ambi=1 { CG1:29.107 } :: atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 93 10I-HG13 G1 1.112 ambi=1 { CG1:29.107 } ::sumAvg: 2.745 atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 94 10I-HG2 G2 1.071 ambi=1 { CG2:20.391 } ::sumAvg: 2.36 atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 95 10I-HD1 D1 0.949 ambi=1 { CD1:17.051 } ::sumAvg: 3.93 atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 103 11V-H N 8.581 ambi=1 { N:126.323 } ::sumAvg: 2.23 atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 105 11V-HB B 1.985 ambi=1 { CB:34.522 } ::sumAvg: 4.75 atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 106 11V-HG1 G1 0.989 ambi=2 { CG1:21.421 } :: atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 107 11V-HG2 G2 0.914 ambi=2 { CG2:20.839 } ::sumAvg: 4.055 atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 513 47C-H N 9.619 ambi=1 { N:124.781 } ::sumAvg: 4.59 atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } :: atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 829 72V-HG2 G2 0.913 ambi=2 { CG2:23.933 } ::sumAvg: 3.34 atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 852 74T-H N 7.972 ambi=1 { N:111.809 } ::sumAvg: 4.955 atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 864 75V-HG1 G1 0.92 ambi=2 { CG1:22.169 } :: atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 865 75V-HG2 G2 0.9 ambi=2 { CG2:22.497 } ::sumAvg: 3.265 atom: 90 10I-HA A 5.089 ambi=1 { CA:60.127 } atom: 872 76E-H N 9.029 ambi=1 { N:124.572 } ::sumAvg: 4.01 atom: 93 10I-HG13 G1 1.112 ambi=1 { CG1:29.107 } atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } ::sumAvg: 2.525 atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } atom: 103 11V-H N 8.581 ambi=1 { N:126.323 } ::sumAvg: 4.29 atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } ::sumAvg: 4.58 atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } ::sumAvg: 4.58 atom: 106 11V-HG1 G1 0.989 ambi=2 { CG1:21.421 } atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } :: atom: 107 11V-HG2 G2 0.914 ambi=2 { CG2:20.839 } atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } ::sumAvg: 4.97 atom: 226 22I-HG2 G2 0.681 ambi=1 { CG2:17.966 } atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } ::sumAvg: 3.425 atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } ::sumAvg: 4.565 atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } ::sumAvg: 4.565 atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } ::sumAvg: 4.605 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } ::sumAvg: 4.51 atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } ::sumAvg: 4.685 atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } ::sumAvg: 4.685 atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } atom: 752 66L-HD1 D1 0.864 ambi=2 { CD1:26.104 } :: atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } atom: 753 66L-HD2 D2 0.87 ambi=2 { CD2:23.102 } ::sumAvg: 4.7 atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } :: atom: 829 72V-HG2 G2 0.913 ambi=2 { CG2:23.933 } atom: 91 10I-HB B 1.782 ambi=1 { CB:42.651 } ::sumAvg: 4.445 atom: 94 10I-HG2 G2 1.071 ambi=1 { CG2:20.391 } atom: 92 10I-HG12 G1 1.701 ambi=1 { CG1:29.107 } ::sumAvg: 2.365 atom: 92 10I-HG12 G1 1.701 ambi=1 { CG1:29.107 } atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } ::sumAvg: 4.805 atom: 93 10I-HG13 G1 1.112 ambi=1 { CG1:29.107 } atom: 513 47C-H N 9.619 ambi=1 { N:124.781 } ::sumAvg: 4.73 atom: 523 48N-HA A 5.629 ambi=1 { CA:51.962 } atom: 93 10I-HG13 G1 1.112 ambi=1 { CG1:29.107 } ::sumAvg: 4.76 atom: 93 10I-HG13 G1 1.112 ambi=1 { CG1:29.107 } atom: 535 49L-HB2 B 1.805 ambi=2 { CB:46.402 } ::sumAvg: 4.6 atom: 92 10I-HG12 G1 1.701 ambi=1 { CG1:29.107 } atom: 749 66L-HB2 B 2.204 ambi=2 { CB:43.218 } :: atom: 92 10I-HG12 G1 1.701 ambi=1 { CG1:29.107 } atom: 750 66L-HB3 B 1.266 ambi=2 { CB:43.218 } :: atom: 93 10I-HG13 G1 1.112 ambi=1 { CG1:29.107 } atom: 749 66L-HB2 B 2.204 ambi=2 { CB:43.218 } ::sumAvg: 3.35 atom: 752 66L-HD1 D1 0.864 ambi=2 { CD1:26.104 } atom: 92 10I-HG12 G1 1.701 ambi=1 { CG1:29.107 } :: atom: 753 66L-HD2 D2 0.87 ambi=2 { CD2:23.102 } atom: 92 10I-HG12 G1 1.701 ambi=1 { CG1:29.107 } ::sumAvg: 2.685 atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } atom: 92 10I-HG12 G1 1.701 ambi=1 { CG1:29.107 } :: atom: 829 72V-HG2 G2 0.913 ambi=2 { CG2:23.933 } atom: 92 10I-HG12 G1 1.701 ambi=1 { CG1:29.107 } ::sumAvg: 4.025 atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } atom: 92 10I-HG12 G1 1.701 ambi=1 { CG1:29.107 } :: atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } atom: 93 10I-HG13 G1 1.112 ambi=1 { CG1:29.107 } ::sumAvg: 3.75 atom: 92 10I-HG12 G1 1.701 ambi=1 { CG1:29.107 } atom: 872 76E-H N 9.029 ambi=1 { N:124.572 } ::sumAvg: 4.84 atom: 94 10I-HG2 G2 1.071 ambi=1 { CG2:20.391 } atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } ::sumAvg: 3.75 atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } atom: 94 10I-HG2 G2 1.071 ambi=1 { CG2:20.391 } ::sumAvg: 3.75 atom: 94 10I-HG2 G2 1.071 ambi=1 { CG2:20.391 } atom: 114 12G-H N 7.713 ambi=1 { N:113.216 } ::sumAvg: 3.77 atom: 94 10I-HG2 G2 1.071 ambi=1 { CG2:20.391 } atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } :: atom: 94 10I-HG2 G2 1.071 ambi=1 { CG2:20.391 } atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } ::sumAvg: 3.93 atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } atom: 94 10I-HG2 G2 1.071 ambi=1 { CG2:20.391 } :: atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } atom: 94 10I-HG2 G2 1.071 ambi=1 { CG2:20.391 } ::sumAvg: 3.93 atom: 94 10I-HG2 G2 1.071 ambi=1 { CG2:20.391 } atom: 223 22I-HB B 1.691 ambi=1 { CB:36.935 } ::sumAvg: 4.815 atom: 94 10I-HG2 G2 1.071 ambi=1 { CG2:20.391 } atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } ::sumAvg: 4.485 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 94 10I-HG2 G2 1.071 ambi=1 { CG2:20.391 } ::sumAvg: 4.745 atom: 94 10I-HG2 G2 1.071 ambi=1 { CG2:20.391 } atom: 796 69V-HB B 2.272 ambi=1 { CB:31.075 } ::sumAvg: 4.82 atom: 826 72V-HA A 3.723 ambi=1 { CA:64.02 } atom: 94 10I-HG2 G2 1.071 ambi=1 { CG2:20.391 } ::sumAvg: 4.215 atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } atom: 94 10I-HG2 G2 1.071 ambi=1 { CG2:20.391 } ::sumAvg: 3.95 atom: 222 22I-HA A 3.823 ambi=1 { CA:61.611 } atom: 95 10I-HD1 D1 0.949 ambi=1 { CD1:17.051 } ::sumAvg: 4.59 atom: 223 22I-HB B 1.691 ambi=1 { CB:36.935 } atom: 95 10I-HD1 D1 0.949 ambi=1 { CD1:17.051 } ::sumAvg: 4.915 atom: 95 10I-HD1 D1 0.949 ambi=1 { CD1:17.051 } atom: 224 22I-HG12 G1 1.377 ambi=2 { CG1:28.268 } ::sumAvg: 4.45 atom: 224 22I-HG12 G1 1.377 ambi=2 { CG1:28.268 } atom: 95 10I-HD1 D1 0.949 ambi=1 { CD1:17.051 } ::sumAvg: 4.45 atom: 95 10I-HD1 D1 0.949 ambi=1 { CD1:17.051 } atom: 236 23T-HA A 3.523 ambi=1 { CA:67.006 } ::sumAvg: 4.93 atom: 265 26I-HG12 G1 1.577 ambi=2 { CG1:28.639 } atom: 95 10I-HD1 D1 0.949 ambi=1 { CD1:17.051 } ::sumAvg: 3.495 atom: 535 49L-HB2 B 1.805 ambi=2 { CB:46.402 } atom: 95 10I-HD1 D1 0.949 ambi=1 { CD1:17.051 } ::sumAvg: 3.665 atom: 748 66L-HA A 4.066 ambi=1 { CA:57.55 } atom: 95 10I-HD1 D1 0.949 ambi=1 { CD1:17.051 } ::sumAvg: 4.455 atom: 749 66L-HB2 B 2.204 ambi=2 { CB:43.218 } atom: 95 10I-HD1 D1 0.949 ambi=1 { CD1:17.051 } ::sumAvg: 2.875 atom: 95 10I-HD1 D1 0.949 ambi=1 { CD1:17.051 } atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } ::sumAvg: 4.01 atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } atom: 95 10I-HD1 D1 0.949 ambi=1 { CD1:17.051 } ::sumAvg: 4.01 atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } atom: 103 11V-H N 8.581 ambi=1 { N:126.323 } ::sumAvg: 2.955 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 103 11V-H N 8.581 ambi=1 { N:126.323 } ::sumAvg: 4.68 atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } atom: 103 11V-H N 8.581 ambi=1 { N:126.323 } ::sumAvg: 4.745 atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } atom: 103 11V-H N 8.581 ambi=1 { N:126.323 } ::sumAvg: 4.02 atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } atom: 105 11V-HB B 1.985 ambi=1 { CB:34.522 } ::sumAvg: 3.02 atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } atom: 106 11V-HG1 G1 0.989 ambi=2 { CG1:21.421 } :: atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } atom: 107 11V-HG2 G2 0.914 ambi=2 { CG2:20.839 } ::sumAvg: 2.33 atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } atom: 114 12G-H N 7.713 ambi=1 { N:113.216 } ::sumAvg: 2.11 atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } :: atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } ::sumAvg: 4.38 atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } :: atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } ::sumAvg: 4.38 atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } atom: 478 44I-HG2 G2 0.937 ambi=1 { CG2:18.002 } ::sumAvg: 3.55 atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } atom: 487 45F-H N 8.955 ambi=1 { N:121.747 } ::sumAvg: 4.35 atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } ::sumAvg: 4.375 atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } ::sumAvg: 4.625 atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } ::sumAvg: 4.785 atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } atom: 505 46T-HB B 4.058 ambi=1 { CB:71.38 } ::sumAvg: 3.9 atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } ::sumAvg: 4.99 atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } ::sumAvg: 4.99 atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } atom: 513 47C-H N 9.619 ambi=1 { N:124.781 } ::sumAvg: 3.695 atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } :: atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } atom: 829 72V-HG2 G2 0.913 ambi=2 { CG2:23.933 } ::sumAvg: 4.33 atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } :: atom: 829 72V-HG2 G2 0.913 ambi=2 { CG2:23.933 } atom: 104 11V-HA A 4.793 ambi=1 { CA:60.201 } ::sumAvg: 4.33 atom: 105 11V-HB B 1.985 ambi=1 { CB:34.522 } atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } ::sumAvg: 4.99 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 105 11V-HB B 1.985 ambi=1 { CB:34.522 } ::sumAvg: 4.82 atom: 505 46T-HB B 4.058 ambi=1 { CB:71.38 } atom: 105 11V-HB B 1.985 ambi=1 { CB:34.522 } ::sumAvg: 4.99 atom: 105 11V-HB B 1.985 ambi=1 { CB:34.522 } atom: 836 73F-H N 9.522 ambi=1 { N:127.542 } ::sumAvg: 4.9 atom: 105 11V-HB B 1.985 ambi=1 { CB:34.522 } atom: 842 73F-QE E 7.266 ambi=3 { CE1:131.332 } ::sumAvg: 4.005 atom: 105 11V-HB B 1.985 ambi=1 { CB:34.522 } atom: 855 74T-HG2 G2 1.128 ambi=1 { CG2:21.877 } ::sumAvg: 2.655 atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } atom: 106 11V-HG1 G1 0.989 ambi=2 { CG1:21.421 } :: atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } atom: 106 11V-HG1 G1 0.989 ambi=2 { CG1:21.421 } :: atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } atom: 107 11V-HG2 G2 0.914 ambi=2 { CG2:20.839 } :: atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } atom: 107 11V-HG2 G2 0.914 ambi=2 { CG2:20.839 } ::sumAvg: 3.485 atom: 106 11V-HG1 G1 0.989 ambi=2 { CG1:21.421 } atom: 476 44I-HG12 G1 1.482 ambi=2 { CG1:26.391 } :: atom: 107 11V-HG2 G2 0.914 ambi=2 { CG2:20.839 } atom: 476 44I-HG12 G1 1.482 ambi=2 { CG1:26.391 } ::sumAvg: 4.69 atom: 476 44I-HG12 G1 1.482 ambi=2 { CG1:26.391 } atom: 106 11V-HG1 G1 0.989 ambi=2 { CG1:21.421 } :: atom: 476 44I-HG12 G1 1.482 ambi=2 { CG1:26.391 } atom: 107 11V-HG2 G2 0.914 ambi=2 { CG2:20.839 } ::sumAvg: 4.69 atom: 106 11V-HG1 G1 0.989 ambi=2 { CG1:21.421 } atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } :: atom: 107 11V-HG2 G2 0.914 ambi=2 { CG2:20.839 } atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } ::sumAvg: 4.79 atom: 106 11V-HG1 G1 0.989 ambi=2 { CG1:21.421 } atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } :: atom: 107 11V-HG2 G2 0.914 ambi=2 { CG2:20.839 } atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } ::sumAvg: 4.33 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 106 11V-HG1 G1 0.989 ambi=2 { CG1:21.421 } :: atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 107 11V-HG2 G2 0.914 ambi=2 { CG2:20.839 } ::sumAvg: 2.4 atom: 179 18M-HE E 2.014 ambi=1 { CE:17.052 } atom: 114 12G-H N 7.713 ambi=1 { N:113.216 } ::sumAvg: 4.845 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 114 12G-H N 7.713 ambi=1 { N:113.216 } ::sumAvg: 4 atom: 826 72V-HA A 3.723 ambi=1 { CA:64.02 } atom: 114 12G-H N 7.713 ambi=1 { N:113.216 } ::sumAvg: 4.36 atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } atom: 114 12G-H N 7.713 ambi=1 { N:113.216 } :: atom: 829 72V-HG2 G2 0.913 ambi=2 { CG2:23.933 } atom: 114 12G-H N 7.713 ambi=1 { N:113.216 } ::sumAvg: 4.03 atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } :: atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } ::sumAvg: 4.285 atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } :: atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } ::sumAvg: 4.285 atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } atom: 123 13E-HB3 B 2.12 ambi=1 { CB:31.102 } ::sumAvg: 4.635 atom: 123 13E-HB3 B 2.12 ambi=1 { CB:31.102 } atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } ::sumAvg: 4.635 atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } atom: 124 13E-QG G 2.354 ambi=2 { CG:36.192 } :: atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } atom: 124 13E-QG G 2.354 ambi=2 { CG:36.192 } ::sumAvg: 4.18 atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } atom: 224 22I-HG12 G1 1.377 ambi=2 { CG1:28.268 } :: atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } atom: 225 22I-HG13 G1 1.245 ambi=2 { CG1:28.268 } ::sumAvg: 4.975 atom: 224 22I-HG12 G1 1.377 ambi=2 { CG1:28.268 } atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } :: atom: 225 22I-HG13 G1 1.245 ambi=2 { CG1:28.268 } atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } ::sumAvg: 4.975 atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } ::sumAvg: 4.935 atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } atom: 478 44I-HG2 G2 0.937 ambi=1 { CG2:18.002 } :: atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } atom: 478 44I-HG2 G2 0.937 ambi=1 { CG2:18.002 } ::sumAvg: 3.51 atom: 478 44I-HG2 G2 0.937 ambi=1 { CG2:18.002 } atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } :: atom: 478 44I-HG2 G2 0.937 ambi=1 { CG2:18.002 } atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } ::sumAvg: 3.51 atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } atom: 487 45F-H N 8.955 ambi=1 { N:121.747 } :: atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } atom: 487 45F-H N 8.955 ambi=1 { N:121.747 } ::sumAvg: 4.775 atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } ::sumAvg: 4.51 atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } :: atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } ::sumAvg: 3.285 atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } atom: 495 45F-HZ Z 6.774 ambi=1 { CZ:127.768 } ::sumAvg: 3.385 atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } ::sumAvg: 4.695 atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } ::sumAvg: 4.695 atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } atom: 825 72V-H N 7.805 ambi=1 { N:120.334 } ::sumAvg: 4.575 atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } atom: 827 72V-HB B 2.352 ambi=1 { CB:32.003 } ::sumAvg: 4.815 atom: 827 72V-HB B 2.352 ambi=1 { CB:32.003 } atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } ::sumAvg: 4.815 atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } atom: 840 73F-QD D 7.064 ambi=3 { CD1:130.48 } :: atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } atom: 840 73F-QD D 7.064 ambi=3 { CD1:130.48 } ::sumAvg: 3.55 atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } atom: 842 73F-QE E 7.266 ambi=3 { CE1:131.332 } :: atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } atom: 842 73F-QE E 7.266 ambi=3 { CE1:131.332 } ::sumAvg: 3.055 atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } atom: 844 73F-HZ Z 7.268 ambi=1 { CZ:129.876 } :: atom: 116 12G-HA3 A 3.563 ambi=1 { CA:45.842 } atom: 844 73F-HZ Z 7.268 ambi=1 { CZ:129.876 } ::sumAvg: 3.54 atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } atom: 852 74T-H N 7.972 ambi=1 { N:111.809 } ::sumAvg: 4.175 atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } atom: 855 74T-HG2 G2 1.128 ambi=1 { CG2:21.877 } ::sumAvg: 4.88 atom: 855 74T-HG2 G2 1.128 ambi=1 { CG2:21.877 } atom: 115 12G-HA2 A 3.434 ambi=1 { CA:45.842 } ::sumAvg: 4.88 atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 120 13E-H N 8.18 ambi=1 { N:119.035 } ::sumAvg: 2.845 atom: 478 44I-HG2 G2 0.937 ambi=1 { CG2:18.002 } atom: 120 13E-H N 8.18 ambi=1 { N:119.035 } ::sumAvg: 3.945 atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 120 13E-H N 8.18 ambi=1 { N:119.035 } :: atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } atom: 120 13E-H N 8.18 ambi=1 { N:119.035 } ::sumAvg: 3.985 atom: 826 72V-HA A 3.723 ambi=1 { CA:64.02 } atom: 120 13E-H N 8.18 ambi=1 { N:119.035 } ::sumAvg: 3.585 atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 122 13E-HB2 B 2.011 ambi=1 { CB:31.102 } :: atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 123 13E-HB3 B 2.12 ambi=1 { CB:31.102 } ::sumAvg: 2.42 atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 124 13E-QG G 2.354 ambi=2 { CG:36.192 } ::sumAvg: 3.345 atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 131 14D-H N 8.095 ambi=1 { N:122.877 } ::sumAvg: 2.2 atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } ::sumAvg: 4.38 atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } ::sumAvg: 4.38 atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 133 14D-HB2 B 2.387 ambi=2 { CB:40.364 } :: atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 134 14D-HB3 B 2.072 ambi=2 { CB:40.364 } ::sumAvg: 4.525 atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } ::sumAvg: 2.845 atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 476 44I-HG12 G1 1.482 ambi=2 { CG1:26.391 } :: atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 477 44I-HG13 G1 1.216 ambi=2 { CG1:26.391 } ::sumAvg: 3.365 atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 478 44I-HG2 G2 0.937 ambi=1 { CG2:18.002 } ::sumAvg: 2.67 atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 479 44I-HD1 D1 0.859 ambi=1 { CD1:12.567 } ::sumAvg: 4.385 atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 487 45F-H N 8.955 ambi=1 { N:121.747 } ::sumAvg: 3.955 atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } ::sumAvg: 4.31 atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } ::sumAvg: 4.815 atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 842 73F-QE E 7.266 ambi=3 { CE1:131.332 } ::sumAvg: 3.465 atom: 121 13E-HA A 4.387 ambi=1 { CA:55.865 } atom: 844 73F-HZ Z 7.268 ambi=1 { CZ:129.876 } ::sumAvg: 3.5 atom: 122 13E-HB2 B 2.011 ambi=1 { CB:31.102 } atom: 131 14D-H N 8.095 ambi=1 { N:122.877 } :: atom: 123 13E-HB3 B 2.12 ambi=1 { CB:31.102 } atom: 131 14D-H N 8.095 ambi=1 { N:122.877 } ::sumAvg: 3.285 atom: 123 13E-HB3 B 2.12 ambi=1 { CB:31.102 } atom: 476 44I-HG12 G1 1.482 ambi=2 { CG1:26.391 } :: atom: 123 13E-HB3 B 2.12 ambi=1 { CB:31.102 } atom: 477 44I-HG13 G1 1.216 ambi=2 { CG1:26.391 } ::sumAvg: 4.81 atom: 476 44I-HG12 G1 1.482 ambi=2 { CG1:26.391 } atom: 123 13E-HB3 B 2.12 ambi=1 { CB:31.102 } :: atom: 477 44I-HG13 G1 1.216 ambi=2 { CG1:26.391 } atom: 123 13E-HB3 B 2.12 ambi=1 { CB:31.102 } ::sumAvg: 4.81 atom: 122 13E-HB2 B 2.011 ambi=1 { CB:31.102 } atom: 478 44I-HG2 G2 0.937 ambi=1 { CG2:18.002 } :: atom: 123 13E-HB3 B 2.12 ambi=1 { CB:31.102 } atom: 478 44I-HG2 G2 0.937 ambi=1 { CG2:18.002 } ::sumAvg: 4.225 atom: 123 13E-HB3 B 2.12 ambi=1 { CB:31.102 } atom: 840 73F-QD D 7.064 ambi=3 { CD1:130.48 } ::sumAvg: 4.475 atom: 124 13E-QG G 2.354 ambi=2 { CG:36.192 } atom: 131 14D-H N 8.095 ambi=1 { N:122.877 } ::sumAvg: 4.255 atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } atom: 124 13E-QG G 2.354 ambi=2 { CG:36.192 } ::sumAvg: 4.7 atom: 124 13E-QG G 2.354 ambi=2 { CG:36.192 } atom: 139 15K-H N 7.345 ambi=1 { N:120.221 } ::sumAvg: 3.92 atom: 147 15K-QE E 2.978 ambi=2 { CE:42.041 } atom: 124 13E-QG G 2.354 ambi=2 { CG:36.192 } ::sumAvg: 4.095 atom: 124 13E-QG G 2.354 ambi=2 { CG:36.192 } atom: 177 18M-HG2 G 2.912 ambi=2 { CG:32.851 } ::sumAvg: 4.04 atom: 177 18M-HG2 G 2.912 ambi=2 { CG:32.851 } atom: 124 13E-QG G 2.354 ambi=2 { CG:36.192 } ::sumAvg: 4.04 atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 124 13E-QG G 2.354 ambi=2 { CG:36.192 } :: atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } atom: 124 13E-QG G 2.354 ambi=2 { CG:36.192 } ::sumAvg: 2.73 atom: 124 13E-QG G 2.354 ambi=2 { CG:36.192 } atom: 825 72V-H N 7.805 ambi=1 { N:120.334 } ::sumAvg: 4.955 atom: 124 13E-QG G 2.354 ambi=2 { CG:36.192 } atom: 826 72V-HA A 3.723 ambi=1 { CA:64.02 } ::sumAvg: 4.595 atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } atom: 131 14D-H N 8.095 ambi=1 { N:122.877 } ::sumAvg: 2.86 atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } atom: 133 14D-HB2 B 2.387 ambi=2 { CB:40.364 } :: atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } atom: 134 14D-HB3 B 2.072 ambi=2 { CB:40.364 } ::sumAvg: 2.62 atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } atom: 139 15K-H N 7.345 ambi=1 { N:120.221 } ::sumAvg: 2.465 atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } atom: 141 15K-HB2 B 1.843 ambi=2 { CB:35.403 } :: atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } atom: 142 15K-HB3 B 1.675 ambi=2 { CB:35.403 } ::sumAvg: 4.745 atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } atom: 143 15K-QG G 1.339 ambi=2 { CG:24.595 } ::sumAvg: 4.765 atom: 143 15K-QG G 1.339 ambi=2 { CG:24.595 } atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } ::sumAvg: 4.765 atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } atom: 175 18M-HB2 B 2.144 ambi=1 { CB:31.847 } :: atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } atom: 176 18M-HB3 B 2.494 ambi=1 { CB:31.847 } ::sumAvg: 3.76 atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } atom: 186 19T-H N 8.807 ambi=1 { N:111.351 } ::sumAvg: 4.555 atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } atom: 190 19T-HG2 G2 0.931 ambi=1 { CG2:23.673 } ::sumAvg: 3.43 atom: 190 19T-HG2 G2 0.931 ambi=1 { CG2:23.673 } atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } ::sumAvg: 3.43 atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } atom: 437 40A-HB B 1.335 ambi=1 { CB:20.975 } ::sumAvg: 4.49 atom: 437 40A-HB B 1.335 ambi=1 { CB:20.975 } atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } ::sumAvg: 4.49 atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } atom: 487 45F-H N 8.955 ambi=1 { N:121.747 } ::sumAvg: 4.6 atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } :: atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } ::sumAvg: 3.97 atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } :: atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } ::sumAvg: 3.97 atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } ::sumAvg: 2.59 atom: 132 14D-HA A 4.888 ambi=1 { CA:52.473 } atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } ::sumAvg: 3.785 atom: 133 14D-HB2 B 2.387 ambi=2 { CB:40.364 } atom: 190 19T-HG2 G2 0.931 ambi=1 { CG2:23.673 } :: atom: 134 14D-HB3 B 2.072 ambi=2 { CB:40.364 } atom: 190 19T-HG2 G2 0.931 ambi=1 { CG2:23.673 } ::sumAvg: 4.51 atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } atom: 133 14D-HB2 B 2.387 ambi=2 { CB:40.364 } :: atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } atom: 134 14D-HB3 B 2.072 ambi=2 { CB:40.364 } ::sumAvg: 3.615 atom: 133 14D-HB2 B 2.387 ambi=2 { CB:40.364 } atom: 487 45F-H N 8.955 ambi=1 { N:121.747 } :: atom: 134 14D-HB3 B 2.072 ambi=2 { CB:40.364 } atom: 487 45F-H N 8.955 ambi=1 { N:121.747 } ::sumAvg: 4.715 atom: 133 14D-HB2 B 2.387 ambi=2 { CB:40.364 } atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } :: atom: 134 14D-HB3 B 2.072 ambi=2 { CB:40.364 } atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } ::sumAvg: 4.35 atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } atom: 133 14D-HB2 B 2.387 ambi=2 { CB:40.364 } :: atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } atom: 134 14D-HB3 B 2.072 ambi=2 { CB:40.364 } ::sumAvg: 4.35 atom: 140 15K-HA A 4.55 ambi=1 { CA:54.554 } atom: 139 15K-H N 7.345 ambi=1 { N:120.221 } ::sumAvg: 2.91 atom: 140 15K-HA A 4.55 ambi=1 { CA:54.554 } atom: 141 15K-HB2 B 1.843 ambi=2 { CB:35.403 } :: atom: 140 15K-HA A 4.55 ambi=1 { CA:54.554 } atom: 142 15K-HB3 B 1.675 ambi=2 { CB:35.403 } ::sumAvg: 2.6 atom: 140 15K-HA A 4.55 ambi=1 { CA:54.554 } atom: 143 15K-QG G 1.339 ambi=2 { CG:24.595 } ::sumAvg: 2.78 atom: 140 15K-HA A 4.55 ambi=1 { CA:54.554 } atom: 145 15K-QD D 1.674 ambi=2 { CD:29.115 } ::sumAvg: 3.34 atom: 140 15K-HA A 4.55 ambi=1 { CA:54.554 } atom: 147 15K-QE E 2.978 ambi=2 { CE:42.041 } ::sumAvg: 4.05 atom: 140 15K-HA A 4.55 ambi=1 { CA:54.554 } atom: 156 16N-H N 9.025 ambi=1 { N:119.785 } ::sumAvg: 2.38 atom: 140 15K-HA A 4.55 ambi=1 { CA:54.554 } atom: 158 16N-HB2 B 2.783 ambi=2 { CB:37.81 } :: atom: 140 15K-HA A 4.55 ambi=1 { CA:54.554 } atom: 159 16N-HB3 B 2.878 ambi=2 { CB:37.81 } ::sumAvg: 4.745 atom: 140 15K-HA A 4.55 ambi=1 { CA:54.554 } atom: 160 16N-HD21 D2 7.709 ambi=2 { ND2:113.561 } :: atom: 140 15K-HA A 4.55 ambi=1 { CA:54.554 } atom: 161 16N-HD22 D2 6.966 ambi=2 { ND2:113.561 } ::sumAvg: 4.86 atom: 140 15K-HA A 4.55 ambi=1 { CA:54.554 } atom: 167 17G-H N 8.78 ambi=1 { N:110.504 } ::sumAvg: 4.545 atom: 140 15K-HA A 4.55 ambi=1 { CA:54.554 } atom: 173 18M-H N 7.989 ambi=1 { N:121.86 } ::sumAvg: 4.72 atom: 140 15K-HA A 4.55 ambi=1 { CA:54.554 } atom: 175 18M-HB2 B 2.144 ambi=1 { CB:31.847 } ::sumAvg: 4.745 atom: 175 18M-HB2 B 2.144 ambi=1 { CB:31.847 } atom: 140 15K-HA A 4.55 ambi=1 { CA:54.554 } ::sumAvg: 4.745 atom: 141 15K-HB2 B 1.843 ambi=2 { CB:35.403 } atom: 157 16N-HA A 4.386 ambi=1 { CA:54.966 } :: atom: 142 15K-HB3 B 1.675 ambi=2 { CB:35.403 } atom: 157 16N-HA A 4.386 ambi=1 { CA:54.966 } ::sumAvg: 4.74 atom: 157 16N-HA A 4.386 ambi=1 { CA:54.966 } atom: 141 15K-HB2 B 1.843 ambi=2 { CB:35.403 } :: atom: 157 16N-HA A 4.386 ambi=1 { CA:54.966 } atom: 142 15K-HB3 B 1.675 ambi=2 { CB:35.403 } ::sumAvg: 4.74 atom: 141 15K-HB2 B 1.843 ambi=2 { CB:35.403 } atom: 167 17G-H N 8.78 ambi=1 { N:110.504 } :: atom: 142 15K-HB3 B 1.675 ambi=2 { CB:35.403 } atom: 167 17G-H N 8.78 ambi=1 { N:110.504 } ::sumAvg: 4.055 atom: 141 15K-HB2 B 1.843 ambi=2 { CB:35.403 } atom: 173 18M-H N 7.989 ambi=1 { N:121.86 } :: atom: 142 15K-HB3 B 1.675 ambi=2 { CB:35.403 } atom: 173 18M-H N 7.989 ambi=1 { N:121.86 } ::sumAvg: 4.245 atom: 175 18M-HB2 B 2.144 ambi=1 { CB:31.847 } atom: 142 15K-HB3 B 1.675 ambi=2 { CB:35.403 } ::sumAvg: 4.03 atom: 177 18M-HG2 G 2.912 ambi=2 { CG:32.851 } atom: 141 15K-HB2 B 1.843 ambi=2 { CB:35.403 } :: atom: 178 18M-HG3 G 2.507 ambi=2 { CG:32.851 } atom: 141 15K-HB2 B 1.843 ambi=2 { CB:35.403 } :: atom: 177 18M-HG2 G 2.912 ambi=2 { CG:32.851 } atom: 142 15K-HB3 B 1.675 ambi=2 { CB:35.403 } :: atom: 178 18M-HG3 G 2.507 ambi=2 { CG:32.851 } atom: 142 15K-HB3 B 1.675 ambi=2 { CB:35.403 } ::sumAvg: 3.38 atom: 143 15K-QG G 1.339 ambi=2 { CG:24.595 } atom: 160 16N-HD21 D2 7.709 ambi=2 { ND2:113.561 } :: atom: 143 15K-QG G 1.339 ambi=2 { CG:24.595 } atom: 161 16N-HD22 D2 6.966 ambi=2 { ND2:113.561 } ::sumAvg: 4.485 atom: 143 15K-QG G 1.339 ambi=2 { CG:24.595 } atom: 173 18M-H N 7.989 ambi=1 { N:121.86 } ::sumAvg: 4.73 atom: 175 18M-HB2 B 2.144 ambi=1 { CB:31.847 } atom: 143 15K-QG G 1.339 ambi=2 { CG:24.595 } ::sumAvg: 4.095 atom: 177 18M-HG2 G 2.912 ambi=2 { CG:32.851 } atom: 143 15K-QG G 1.339 ambi=2 { CG:24.595 } :: atom: 178 18M-HG3 G 2.507 ambi=2 { CG:32.851 } atom: 143 15K-QG G 1.339 ambi=2 { CG:24.595 } ::sumAvg: 3.285 atom: 145 15K-QD D 1.674 ambi=2 { CD:29.115 } atom: 156 16N-H N 9.025 ambi=1 { N:119.785 } ::sumAvg: 4.79 atom: 145 15K-QD D 1.674 ambi=2 { CD:29.115 } atom: 177 18M-HG2 G 2.912 ambi=2 { CG:32.851 } :: atom: 145 15K-QD D 1.674 ambi=2 { CD:29.115 } atom: 178 18M-HG3 G 2.507 ambi=2 { CG:32.851 } ::sumAvg: 4.005 atom: 177 18M-HG2 G 2.912 ambi=2 { CG:32.851 } atom: 145 15K-QD D 1.674 ambi=2 { CD:29.115 } :: atom: 178 18M-HG3 G 2.507 ambi=2 { CG:32.851 } atom: 145 15K-QD D 1.674 ambi=2 { CD:29.115 } ::sumAvg: 4.005 atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 145 15K-QD D 1.674 ambi=2 { CD:29.115 } :: atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } atom: 145 15K-QD D 1.674 ambi=2 { CD:29.115 } ::sumAvg: 4.725 atom: 147 15K-QE E 2.978 ambi=2 { CE:42.041 } atom: 156 16N-H N 9.025 ambi=1 { N:119.785 } ::sumAvg: 4.575 atom: 147 15K-QE E 2.978 ambi=2 { CE:42.041 } atom: 178 18M-HG3 G 2.507 ambi=2 { CG:32.851 } ::sumAvg: 4.705 atom: 178 18M-HG3 G 2.507 ambi=2 { CG:32.851 } atom: 147 15K-QE E 2.978 ambi=2 { CE:42.041 } ::sumAvg: 4.705 atom: 157 16N-HA A 4.386 ambi=1 { CA:54.966 } atom: 160 16N-HD21 D2 7.709 ambi=2 { ND2:113.561 } :: atom: 157 16N-HA A 4.386 ambi=1 { CA:54.966 } atom: 161 16N-HD22 D2 6.966 ambi=2 { ND2:113.561 } ::sumAvg: 4.15 atom: 157 16N-HA A 4.386 ambi=1 { CA:54.966 } atom: 169 17G-HA3 A 3.97 ambi=1 { CA:45.996 } ::sumAvg: 4.85 atom: 157 16N-HA A 4.386 ambi=1 { CA:54.966 } atom: 173 18M-H N 7.989 ambi=1 { N:121.86 } ::sumAvg: 4.815 atom: 158 16N-HB2 B 2.783 ambi=2 { CB:37.81 } atom: 169 17G-HA3 A 3.97 ambi=1 { CA:45.996 } :: atom: 159 16N-HB3 B 2.878 ambi=2 { CB:37.81 } atom: 169 17G-HA3 A 3.97 ambi=1 { CA:45.996 } ::sumAvg: 4.805 atom: 169 17G-HA3 A 3.97 ambi=1 { CA:45.996 } atom: 158 16N-HB2 B 2.783 ambi=2 { CB:37.81 } :: atom: 169 17G-HA3 A 3.97 ambi=1 { CA:45.996 } atom: 159 16N-HB3 B 2.878 ambi=2 { CB:37.81 } ::sumAvg: 4.805 atom: 168 17G-HA2 A 4.125 ambi=1 { CA:45.996 } atom: 198 20N-HB2 B 3.087 ambi=2 { CB:36.625 } :: atom: 168 17G-HA2 A 4.125 ambi=1 { CA:45.996 } atom: 199 20N-HB3 B 2.818 ambi=2 { CB:36.625 } :: atom: 169 17G-HA3 A 3.97 ambi=1 { CA:45.996 } atom: 198 20N-HB2 B 3.087 ambi=2 { CB:36.625 } :: atom: 169 17G-HA3 A 3.97 ambi=1 { CA:45.996 } atom: 199 20N-HB3 B 2.818 ambi=2 { CB:36.625 } ::sumAvg: 3.56 atom: 168 17G-HA2 A 4.125 ambi=1 { CA:45.996 } atom: 207 21Q-H N 8.433 ambi=1 { N:120.25 } :: atom: 169 17G-HA3 A 3.97 ambi=1 { CA:45.996 } atom: 207 21Q-H N 8.433 ambi=1 { N:120.25 } ::sumAvg: 4.695 atom: 169 17G-HA3 A 3.97 ambi=1 { CA:45.996 } atom: 213 21Q-HE21 E2 7.1 ambi=1 { NE2:110.919 } ::sumAvg: 4.6 atom: 174 18M-HA A 4.359 ambi=1 { CA:57.405 } atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } ::sumAvg: 4.845 atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } atom: 174 18M-HA A 4.359 ambi=1 { CA:57.405 } ::sumAvg: 4.845 atom: 174 18M-HA A 4.359 ambi=1 { CA:57.405 } atom: 213 21Q-HE21 E2 7.1 ambi=1 { NE2:110.919 } :: atom: 174 18M-HA A 4.359 ambi=1 { CA:57.405 } atom: 214 21Q-HE22 E2 6.937 ambi=1 { NE2:110.919 } ::sumAvg: 2.68 atom: 174 18M-HA A 4.359 ambi=1 { CA:57.405 } atom: 224 22I-HG12 G1 1.377 ambi=2 { CG1:28.268 } :: atom: 174 18M-HA A 4.359 ambi=1 { CA:57.405 } atom: 225 22I-HG13 G1 1.245 ambi=2 { CG1:28.268 } ::sumAvg: 3.665 atom: 224 22I-HG12 G1 1.377 ambi=2 { CG1:28.268 } atom: 174 18M-HA A 4.359 ambi=1 { CA:57.405 } :: atom: 225 22I-HG13 G1 1.245 ambi=2 { CG1:28.268 } atom: 174 18M-HA A 4.359 ambi=1 { CA:57.405 } ::sumAvg: 3.665 atom: 174 18M-HA A 4.359 ambi=1 { CA:57.405 } atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } ::sumAvg: 4.75 atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } atom: 174 18M-HA A 4.359 ambi=1 { CA:57.405 } ::sumAvg: 4.75 atom: 174 18M-HA A 4.359 ambi=1 { CA:57.405 } atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } ::sumAvg: 4.965 atom: 174 18M-HA A 4.359 ambi=1 { CA:57.405 } atom: 797 69V-HG1 G1 0.854 ambi=2 { CG1:21.295 } :: atom: 174 18M-HA A 4.359 ambi=1 { CA:57.405 } atom: 798 69V-HG2 G2 1.069 ambi=2 { CG2:22.03 } ::sumAvg: 4.275 atom: 797 69V-HG1 G1 0.854 ambi=2 { CG1:21.295 } atom: 174 18M-HA A 4.359 ambi=1 { CA:57.405 } :: atom: 798 69V-HG2 G2 1.069 ambi=2 { CG2:22.03 } atom: 174 18M-HA A 4.359 ambi=1 { CA:57.405 } ::sumAvg: 4.275 atom: 175 18M-HB2 B 2.144 ambi=1 { CB:31.847 } atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } :: atom: 176 18M-HB3 B 2.494 ambi=1 { CB:31.847 } atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } ::sumAvg: 4.165 atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } atom: 175 18M-HB2 B 2.144 ambi=1 { CB:31.847 } :: atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } atom: 176 18M-HB3 B 2.494 ambi=1 { CB:31.847 } ::sumAvg: 4.165 atom: 175 18M-HB2 B 2.144 ambi=1 { CB:31.847 } atom: 190 19T-HG2 G2 0.931 ambi=1 { CG2:23.673 } :: atom: 176 18M-HB3 B 2.494 ambi=1 { CB:31.847 } atom: 190 19T-HG2 G2 0.931 ambi=1 { CG2:23.673 } ::sumAvg: 3.595 atom: 224 22I-HG12 G1 1.377 ambi=2 { CG1:28.268 } atom: 176 18M-HB3 B 2.494 ambi=1 { CB:31.847 } :: atom: 225 22I-HG13 G1 1.245 ambi=2 { CG1:28.268 } atom: 176 18M-HB3 B 2.494 ambi=1 { CB:31.847 } ::sumAvg: 3.68 atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } atom: 176 18M-HB3 B 2.494 ambi=1 { CB:31.847 } ::sumAvg: 4.565 atom: 176 18M-HB3 B 2.494 ambi=1 { CB:31.847 } atom: 495 45F-HZ Z 6.774 ambi=1 { CZ:127.768 } ::sumAvg: 3.47 atom: 797 69V-HG1 G1 0.854 ambi=2 { CG1:21.295 } atom: 176 18M-HB3 B 2.494 ambi=1 { CB:31.847 } :: atom: 798 69V-HG2 G2 1.069 ambi=2 { CG2:22.03 } atom: 176 18M-HB3 B 2.494 ambi=1 { CB:31.847 } ::sumAvg: 4.485 atom: 176 18M-HB3 B 2.494 ambi=1 { CB:31.847 } atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } :: atom: 176 18M-HB3 B 2.494 ambi=1 { CB:31.847 } atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } ::sumAvg: 4.795 atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 176 18M-HB3 B 2.494 ambi=1 { CB:31.847 } :: atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } atom: 176 18M-HB3 B 2.494 ambi=1 { CB:31.847 } ::sumAvg: 4.795 atom: 177 18M-HG2 G 2.912 ambi=2 { CG:32.851 } atom: 211 21Q-HG2 G 2.244 ambi=1 { CG:33.921 } ::sumAvg: 4.43 atom: 211 21Q-HG2 G 2.244 ambi=1 { CG:33.921 } atom: 177 18M-HG2 G 2.912 ambi=2 { CG:32.851 } ::sumAvg: 4.43 atom: 177 18M-HG2 G 2.912 ambi=2 { CG:32.851 } atom: 797 69V-HG1 G1 0.854 ambi=2 { CG1:21.295 } :: atom: 177 18M-HG2 G 2.912 ambi=2 { CG:32.851 } atom: 798 69V-HG2 G2 1.069 ambi=2 { CG2:22.03 } :: atom: 178 18M-HG3 G 2.507 ambi=2 { CG:32.851 } atom: 797 69V-HG1 G1 0.854 ambi=2 { CG1:21.295 } :: atom: 178 18M-HG3 G 2.507 ambi=2 { CG:32.851 } atom: 798 69V-HG2 G2 1.069 ambi=2 { CG2:22.03 } ::sumAvg: 4.52 atom: 177 18M-HG2 G 2.912 ambi=2 { CG:32.851 } atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } :: atom: 177 18M-HG2 G 2.912 ambi=2 { CG:32.851 } atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } :: atom: 178 18M-HG3 G 2.507 ambi=2 { CG:32.851 } atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } :: atom: 178 18M-HG3 G 2.507 ambi=2 { CG:32.851 } atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } ::sumAvg: 3.625 atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 177 18M-HG2 G 2.912 ambi=2 { CG:32.851 } :: atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } atom: 177 18M-HG2 G 2.912 ambi=2 { CG:32.851 } :: atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 178 18M-HG3 G 2.507 ambi=2 { CG:32.851 } :: atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } atom: 178 18M-HG3 G 2.507 ambi=2 { CG:32.851 } ::sumAvg: 3.625 atom: 179 18M-HE E 2.014 ambi=1 { CE:17.052 } atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } ::sumAvg: 4.68 atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } atom: 179 18M-HE E 2.014 ambi=1 { CE:17.052 } ::sumAvg: 4.68 atom: 179 18M-HE E 2.014 ambi=1 { CE:17.052 } atom: 212 21Q-HG3 G 2.426 ambi=1 { CG:33.921 } ::sumAvg: 4.295 atom: 212 21Q-HG3 G 2.426 ambi=1 { CG:33.921 } atom: 179 18M-HE E 2.014 ambi=1 { CE:17.052 } ::sumAvg: 4.295 atom: 179 18M-HE E 2.014 ambi=1 { CE:17.052 } atom: 226 22I-HG2 G2 0.681 ambi=1 { CG2:17.966 } ::sumAvg: 4.51 atom: 179 18M-HE E 2.014 ambi=1 { CE:17.052 } atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } ::sumAvg: 2.73 atom: 809 70Q-QG G 2.449 ambi=2 { CG:33.839 } atom: 179 18M-HE E 2.014 ambi=1 { CE:17.052 } ::sumAvg: 4.87 atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 179 18M-HE E 2.014 ambi=1 { CE:17.052 } :: atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } atom: 179 18M-HE E 2.014 ambi=1 { CE:17.052 } ::sumAvg: 2.265 atom: 188 19T-HB B 3.743 ambi=1 { CB:67 } atom: 186 19T-H N 8.807 ambi=1 { N:111.351 } ::sumAvg: 3.615 atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } atom: 197 20N-HA A 4.083 ambi=1 { CA:57.669 } ::sumAvg: 4.77 atom: 197 20N-HA A 4.083 ambi=1 { CA:57.669 } atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } ::sumAvg: 4.77 atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } atom: 207 21Q-H N 8.433 ambi=1 { N:120.25 } ::sumAvg: 4.775 atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } atom: 223 22I-HB B 1.691 ambi=1 { CB:36.935 } ::sumAvg: 2.95 atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } atom: 224 22I-HG12 G1 1.377 ambi=2 { CG1:28.268 } :: atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } atom: 225 22I-HG13 G1 1.245 ambi=2 { CG1:28.268 } ::sumAvg: 4.025 atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } atom: 235 23T-H N 7.478 ambi=1 { N:115.702 } ::sumAvg: 4.38 atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } atom: 238 23T-HG1 G1 4.147 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.71 atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } atom: 414 38L-HG G 1.574 ambi=1 { CG:27.894 } ::sumAvg: 4.675 atom: 414 38L-HG G 1.574 ambi=1 { CG:27.894 } atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } ::sumAvg: 4.675 atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } ::sumAvg: 4.205 atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } ::sumAvg: 3.895 atom: 187 19T-HA A 3.233 ambi=1 { CA:65.516 } atom: 495 45F-HZ Z 6.774 ambi=1 { CZ:127.768 } ::sumAvg: 4.375 atom: 188 19T-HB B 3.743 ambi=1 { CB:67 } atom: 196 20N-H N 7.936 ambi=1 { N:121.577 } ::sumAvg: 3.83 atom: 188 19T-HB B 3.743 ambi=1 { CB:67 } atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } ::sumAvg: 4.65 atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } atom: 188 19T-HB B 3.743 ambi=1 { CB:67 } ::sumAvg: 4.65 atom: 188 19T-HB B 3.743 ambi=1 { CB:67 } atom: 414 38L-HG G 1.574 ambi=1 { CG:27.894 } ::sumAvg: 4.625 atom: 414 38L-HG G 1.574 ambi=1 { CG:27.894 } atom: 188 19T-HB B 3.743 ambi=1 { CB:67 } ::sumAvg: 4.625 atom: 188 19T-HB B 3.743 ambi=1 { CB:67 } atom: 437 40A-HB B 1.335 ambi=1 { CB:20.975 } ::sumAvg: 4.97 atom: 437 40A-HB B 1.335 ambi=1 { CB:20.975 } atom: 188 19T-HB B 3.743 ambi=1 { CB:67 } ::sumAvg: 4.97 atom: 197 20N-HA A 4.083 ambi=1 { CA:57.669 } atom: 189 19T-HG1 G1 6.223 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.88 atom: 198 20N-HB2 B 3.087 ambi=2 { CB:36.625 } atom: 189 19T-HG1 G1 6.223 ambi=1 {attached_atom is not_assigned} :: atom: 199 20N-HB3 B 2.818 ambi=2 { CB:36.625 } atom: 189 19T-HG1 G1 6.223 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.945 atom: 190 19T-HG2 G2 0.931 ambi=1 { CG2:23.673 } atom: 223 22I-HB B 1.691 ambi=1 { CB:36.935 } ::sumAvg: 4.76 atom: 190 19T-HG2 G2 0.931 ambi=1 { CG2:23.673 } atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } ::sumAvg: 4.805 atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } atom: 190 19T-HG2 G2 0.931 ambi=1 { CG2:23.673 } ::sumAvg: 4.805 atom: 190 19T-HG2 G2 0.931 ambi=1 { CG2:23.673 } atom: 414 38L-HG G 1.574 ambi=1 { CG:27.894 } ::sumAvg: 3.885 atom: 414 38L-HG G 1.574 ambi=1 { CG:27.894 } atom: 190 19T-HG2 G2 0.931 ambi=1 { CG2:23.673 } ::sumAvg: 3.885 atom: 190 19T-HG2 G2 0.931 ambi=1 { CG2:23.673 } atom: 436 40A-HA A 5.345 ambi=1 { CA:51.37 } ::sumAvg: 4.875 atom: 436 40A-HA A 5.345 ambi=1 { CA:51.37 } atom: 190 19T-HG2 G2 0.931 ambi=1 { CG2:23.673 } ::sumAvg: 4.875 atom: 190 19T-HG2 G2 0.931 ambi=1 { CG2:23.673 } atom: 437 40A-HB B 1.335 ambi=1 { CB:20.975 } ::sumAvg: 2.97 atom: 190 19T-HG2 G2 0.931 ambi=1 { CG2:23.673 } atom: 487 45F-H N 8.955 ambi=1 { N:121.747 } ::sumAvg: 4.965 atom: 190 19T-HG2 G2 0.931 ambi=1 { CG2:23.673 } atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } ::sumAvg: 4.715 atom: 415 38L-HD1 D1 0.668 ambi=2 { CD1:26.38 } atom: 196 20N-H N 7.936 ambi=1 { N:121.577 } :: atom: 416 38L-HD2 D2 0.57 ambi=2 { CD2:24.312 } atom: 196 20N-H N 7.936 ambi=1 { N:121.577 } ::sumAvg: 4.835 atom: 197 20N-HA A 4.083 ambi=1 { CA:57.669 } atom: 200 20N-HD21 D2 7.263 ambi=1 { ND2:113.162 } :: atom: 197 20N-HA A 4.083 ambi=1 { CA:57.669 } atom: 201 20N-HD22 D2 7.109 ambi=1 { ND2:113.162 } ::sumAvg: 3.695 atom: 197 20N-HA A 4.083 ambi=1 { CA:57.669 } atom: 207 21Q-H N 8.433 ambi=1 { N:120.25 } ::sumAvg: 3.56 atom: 197 20N-HA A 4.083 ambi=1 { CA:57.669 } atom: 245 24G-H N 8.011 ambi=1 { N:110.691 } ::sumAvg: 4.215 atom: 415 38L-HD1 D1 0.668 ambi=2 { CD1:26.38 } atom: 197 20N-HA A 4.083 ambi=1 { CA:57.669 } :: atom: 416 38L-HD2 D2 0.57 ambi=2 { CD2:24.312 } atom: 197 20N-HA A 4.083 ambi=1 { CA:57.669 } ::sumAvg: 4.67 atom: 208 21Q-HA A 4.046 ambi=1 { CA:59.187 } atom: 198 20N-HB2 B 3.087 ambi=2 { CB:36.625 } :: atom: 208 21Q-HA A 4.046 ambi=1 { CA:59.187 } atom: 199 20N-HB3 B 2.818 ambi=2 { CB:36.625 } ::sumAvg: 4.2 atom: 198 20N-HB2 B 3.087 ambi=2 { CB:36.625 } atom: 210 21Q-HB3 B 2.155 ambi=1 { CB:28.512 } :: atom: 199 20N-HB3 B 2.818 ambi=2 { CB:36.625 } atom: 210 21Q-HB3 B 2.155 ambi=1 { CB:28.512 } ::sumAvg: 4.075 atom: 210 21Q-HB3 B 2.155 ambi=1 { CB:28.512 } atom: 198 20N-HB2 B 3.087 ambi=2 { CB:36.625 } :: atom: 210 21Q-HB3 B 2.155 ambi=1 { CB:28.512 } atom: 199 20N-HB3 B 2.818 ambi=2 { CB:36.625 } ::sumAvg: 4.075 atom: 198 20N-HB2 B 3.087 ambi=2 { CB:36.625 } atom: 211 21Q-HG2 G 2.244 ambi=1 { CG:33.921 } :: atom: 199 20N-HB3 B 2.818 ambi=2 { CB:36.625 } atom: 211 21Q-HG2 G 2.244 ambi=1 { CG:33.921 } ::sumAvg: 4.785 atom: 211 21Q-HG2 G 2.244 ambi=1 { CG:33.921 } atom: 198 20N-HB2 B 3.087 ambi=2 { CB:36.625 } :: atom: 211 21Q-HG2 G 2.244 ambi=1 { CG:33.921 } atom: 199 20N-HB3 B 2.818 ambi=2 { CB:36.625 } ::sumAvg: 4.785 atom: 198 20N-HB2 B 3.087 ambi=2 { CB:36.625 } atom: 221 22I-H N 8.779 ambi=1 { N:119.497 } :: atom: 199 20N-HB3 B 2.818 ambi=2 { CB:36.625 } atom: 221 22I-H N 8.779 ambi=1 { N:119.497 } ::sumAvg: 4.95 atom: 224 22I-HG12 G1 1.377 ambi=2 { CG1:28.268 } atom: 207 21Q-H N 8.433 ambi=1 { N:120.25 } :: atom: 225 22I-HG13 G1 1.245 ambi=2 { CG1:28.268 } atom: 207 21Q-H N 8.433 ambi=1 { N:120.25 } ::sumAvg: 4.625 atom: 208 21Q-HA A 4.046 ambi=1 { CA:59.187 } atom: 235 23T-H N 7.478 ambi=1 { N:115.702 } ::sumAvg: 4.855 atom: 208 21Q-HA A 4.046 ambi=1 { CA:59.187 } atom: 251 25V-H N 7.898 ambi=1 { N:123.276 } ::sumAvg: 4.03 atom: 208 21Q-HA A 4.046 ambi=1 { CA:59.187 } atom: 254 25V-HG1 G1 0.762 ambi=2 { CG1:21.272 } :: atom: 208 21Q-HA A 4.046 ambi=1 { CA:59.187 } atom: 255 25V-HG2 G2 1.035 ambi=2 { CG2:22.506 } ::sumAvg: 3.87 atom: 209 21Q-HB2 B 2.243 ambi=1 { CB:28.512 } atom: 213 21Q-HE21 E2 7.1 ambi=1 { NE2:110.919 } :: atom: 209 21Q-HB2 B 2.243 ambi=1 { CB:28.512 } atom: 214 21Q-HE22 E2 6.937 ambi=1 { NE2:110.919 } :: atom: 210 21Q-HB3 B 2.155 ambi=1 { CB:28.512 } atom: 213 21Q-HE21 E2 7.1 ambi=1 { NE2:110.919 } :: atom: 210 21Q-HB3 B 2.155 ambi=1 { CB:28.512 } atom: 214 21Q-HE22 E2 6.937 ambi=1 { NE2:110.919 } ::sumAvg: 2.82 atom: 209 21Q-HB2 B 2.243 ambi=1 { CB:28.512 } atom: 222 22I-HA A 3.823 ambi=1 { CA:61.611 } ::sumAvg: 4.705 atom: 209 21Q-HB2 B 2.243 ambi=1 { CB:28.512 } atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } ::sumAvg: 4.945 atom: 209 21Q-HB2 B 2.243 ambi=1 { CB:28.512 } atom: 251 25V-H N 7.898 ambi=1 { N:123.276 } ::sumAvg: 4.935 atom: 211 21Q-HG2 G 2.244 ambi=1 { CG:33.921 } atom: 224 22I-HG12 G1 1.377 ambi=2 { CG1:28.268 } :: atom: 211 21Q-HG2 G 2.244 ambi=1 { CG:33.921 } atom: 225 22I-HG13 G1 1.245 ambi=2 { CG1:28.268 } :: atom: 212 21Q-HG3 G 2.426 ambi=1 { CG:33.921 } atom: 224 22I-HG12 G1 1.377 ambi=2 { CG1:28.268 } :: atom: 212 21Q-HG3 G 2.426 ambi=1 { CG:33.921 } atom: 225 22I-HG13 G1 1.245 ambi=2 { CG1:28.268 } ::sumAvg: 2.735 atom: 212 21Q-HG3 G 2.426 ambi=1 { CG:33.921 } atom: 226 22I-HG2 G2 0.681 ambi=1 { CG2:17.966 } ::sumAvg: 4.84 atom: 226 22I-HG2 G2 0.681 ambi=1 { CG2:17.966 } atom: 212 21Q-HG3 G 2.426 ambi=1 { CG:33.921 } ::sumAvg: 4.84 atom: 211 21Q-HG2 G 2.244 ambi=1 { CG:33.921 } atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } :: atom: 212 21Q-HG3 G 2.426 ambi=1 { CG:33.921 } atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } ::sumAvg: 3.09 atom: 222 22I-HA A 3.823 ambi=1 { CA:61.611 } atom: 235 23T-H N 7.478 ambi=1 { N:115.702 } ::sumAvg: 3.59 atom: 222 22I-HA A 3.823 ambi=1 { CA:61.611 } atom: 245 24G-H N 8.011 ambi=1 { N:110.691 } ::sumAvg: 4.41 atom: 222 22I-HA A 3.823 ambi=1 { CA:61.611 } atom: 265 26I-HG12 G1 1.577 ambi=2 { CG1:28.639 } :: atom: 222 22I-HA A 3.823 ambi=1 { CA:61.611 } atom: 266 26I-HG13 G1 0.828 ambi=2 { CG1:28.639 } ::sumAvg: 4.42 atom: 265 26I-HG12 G1 1.577 ambi=2 { CG1:28.639 } atom: 222 22I-HA A 3.823 ambi=1 { CA:61.611 } :: atom: 266 26I-HG13 G1 0.828 ambi=2 { CG1:28.639 } atom: 222 22I-HA A 3.823 ambi=1 { CA:61.611 } ::sumAvg: 4.42 atom: 268 26I-HD1 D1 0.675 ambi=1 { CD1:14.465 } atom: 222 22I-HA A 3.823 ambi=1 { CA:61.611 } ::sumAvg: 4.875 atom: 222 22I-HA A 3.823 ambi=1 { CA:61.611 } atom: 752 66L-HD1 D1 0.864 ambi=2 { CD1:26.104 } :: atom: 222 22I-HA A 3.823 ambi=1 { CA:61.611 } atom: 753 66L-HD2 D2 0.87 ambi=2 { CD2:23.102 } ::sumAvg: 4.15 atom: 752 66L-HD1 D1 0.864 ambi=2 { CD1:26.104 } atom: 222 22I-HA A 3.823 ambi=1 { CA:61.611 } :: atom: 753 66L-HD2 D2 0.87 ambi=2 { CD2:23.102 } atom: 222 22I-HA A 3.823 ambi=1 { CA:61.611 } ::sumAvg: 4.15 atom: 223 22I-HB B 1.691 ambi=1 { CB:36.935 } atom: 236 23T-HA A 3.523 ambi=1 { CA:67.006 } ::sumAvg: 4.66 atom: 236 23T-HA A 3.523 ambi=1 { CA:67.006 } atom: 223 22I-HB B 1.691 ambi=1 { CB:36.935 } ::sumAvg: 4.66 atom: 223 22I-HB B 1.691 ambi=1 { CB:36.935 } atom: 238 23T-HG1 G1 4.147 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.945 atom: 223 22I-HB B 1.691 ambi=1 { CB:36.935 } atom: 245 24G-H N 8.011 ambi=1 { N:110.691 } ::sumAvg: 4.72 atom: 415 38L-HD1 D1 0.668 ambi=2 { CD1:26.38 } atom: 223 22I-HB B 1.691 ambi=1 { CB:36.935 } :: atom: 416 38L-HD2 D2 0.57 ambi=2 { CD2:24.312 } atom: 223 22I-HB B 1.691 ambi=1 { CB:36.935 } ::sumAvg: 3.345 atom: 223 22I-HB B 1.691 ambi=1 { CB:36.935 } atom: 515 47C-HB2 B 2.605 ambi=2 { CB:29.112 } :: atom: 223 22I-HB B 1.691 ambi=1 { CB:36.935 } atom: 516 47C-HB3 B 2.995 ambi=2 { CB:29.112 } ::sumAvg: 4.78 atom: 515 47C-HB2 B 2.605 ambi=2 { CB:29.112 } atom: 223 22I-HB B 1.691 ambi=1 { CB:36.935 } :: atom: 516 47C-HB3 B 2.995 ambi=2 { CB:29.112 } atom: 223 22I-HB B 1.691 ambi=1 { CB:36.935 } ::sumAvg: 4.78 atom: 224 22I-HG12 G1 1.377 ambi=2 { CG1:28.268 } atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } :: atom: 225 22I-HG13 G1 1.245 ambi=2 { CG1:28.268 } atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } ::sumAvg: 4.655 atom: 224 22I-HG12 G1 1.377 ambi=2 { CG1:28.268 } atom: 797 69V-HG1 G1 0.854 ambi=2 { CG1:21.295 } ::sumAvg: 3.415 atom: 797 69V-HG1 G1 0.854 ambi=2 { CG1:21.295 } atom: 224 22I-HG12 G1 1.377 ambi=2 { CG1:28.268 } ::sumAvg: 3.415 atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } atom: 224 22I-HG12 G1 1.377 ambi=2 { CG1:28.268 } :: atom: 829 72V-HG2 G2 0.913 ambi=2 { CG2:23.933 } atom: 224 22I-HG12 G1 1.377 ambi=2 { CG1:28.268 } :: atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } atom: 225 22I-HG13 G1 1.245 ambi=2 { CG1:28.268 } ::sumAvg: 3.06 atom: 253 25V-HB B 2.067 ambi=1 { CB:31.925 } atom: 226 22I-HG2 G2 0.681 ambi=1 { CG2:17.966 } ::sumAvg: 4.41 atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } atom: 226 22I-HG2 G2 0.681 ambi=1 { CG2:17.966 } ::sumAvg: 4.695 atom: 226 22I-HG2 G2 0.681 ambi=1 { CG2:17.966 } atom: 513 47C-H N 9.619 ambi=1 { N:124.781 } ::sumAvg: 4.585 atom: 226 22I-HG2 G2 0.681 ambi=1 { CG2:17.966 } atom: 515 47C-HB2 B 2.605 ambi=2 { CB:29.112 } :: atom: 226 22I-HG2 G2 0.681 ambi=1 { CG2:17.966 } atom: 516 47C-HB3 B 2.995 ambi=2 { CB:29.112 } ::sumAvg: 2.935 atom: 226 22I-HG2 G2 0.681 ambi=1 { CG2:17.966 } atom: 517 47C-HG G 1.093 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.775 atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } atom: 253 25V-HB B 2.067 ambi=1 { CB:31.925 } ::sumAvg: 4.075 atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } atom: 265 26I-HG12 G1 1.577 ambi=2 { CG1:28.639 } ::sumAvg: 4.9 atom: 265 26I-HG12 G1 1.577 ambi=2 { CG1:28.639 } atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } ::sumAvg: 4.9 atom: 748 66L-HA A 4.066 ambi=1 { CA:57.55 } atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } ::sumAvg: 4.115 atom: 749 66L-HB2 B 2.204 ambi=2 { CB:43.218 } atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } :: atom: 750 66L-HB3 B 1.266 ambi=2 { CB:43.218 } atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } ::sumAvg: 3.885 atom: 795 69V-HA A 3.776 ambi=1 { CA:63.134 } atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } ::sumAvg: 4.89 atom: 796 69V-HB B 2.272 ambi=1 { CB:31.075 } atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } ::sumAvg: 2.85 atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } atom: 826 72V-HA A 3.723 ambi=1 { CA:64.02 } ::sumAvg: 4.91 atom: 227 22I-HD1 D1 0.78 ambi=1 { CD1:12.378 } atom: 827 72V-HB B 2.352 ambi=1 { CB:32.003 } ::sumAvg: 4.095 atom: 246 24G-HA2 A 3.88 ambi=2 { CA:47.163 } atom: 235 23T-H N 7.478 ambi=1 { N:115.702 } :: atom: 247 24G-HA3 A 3.672 ambi=2 { CA:47.163 } atom: 235 23T-H N 7.478 ambi=1 { N:115.702 } ::sumAvg: 4.785 atom: 265 26I-HG12 G1 1.577 ambi=2 { CG1:28.639 } atom: 235 23T-H N 7.478 ambi=1 { N:115.702 } :: atom: 266 26I-HG13 G1 0.828 ambi=2 { CG1:28.639 } atom: 235 23T-H N 7.478 ambi=1 { N:115.702 } ::sumAvg: 4.6 atom: 236 23T-HA A 3.523 ambi=1 { CA:67.006 } atom: 251 25V-H N 7.898 ambi=1 { N:123.276 } ::sumAvg: 4.425 atom: 236 23T-HA A 3.523 ambi=1 { CA:67.006 } atom: 263 26I-HA A 2.698 ambi=1 { CA:64.163 } ::sumAvg: 4.935 atom: 263 26I-HA A 2.698 ambi=1 { CA:64.163 } atom: 236 23T-HA A 3.523 ambi=1 { CA:67.006 } ::sumAvg: 4.935 atom: 236 23T-HA A 3.523 ambi=1 { CA:67.006 } atom: 276 27S-H N 7.783 ambi=1 { N:112.932 } ::sumAvg: 4.32 atom: 236 23T-HA A 3.523 ambi=1 { CA:67.006 } atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } ::sumAvg: 3.94 atom: 415 38L-HD1 D1 0.668 ambi=2 { CD1:26.38 } atom: 236 23T-HA A 3.523 ambi=1 { CA:67.006 } :: atom: 416 38L-HD2 D2 0.57 ambi=2 { CD2:24.312 } atom: 236 23T-HA A 3.523 ambi=1 { CA:67.006 } ::sumAvg: 4.64 atom: 236 23T-HA A 3.523 ambi=1 { CA:67.006 } atom: 517 47C-HG G 1.093 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.555 atom: 268 26I-HD1 D1 0.675 ambi=1 { CD1:14.465 } atom: 238 23T-HG1 G1 4.147 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.5 atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } atom: 238 23T-HG1 G1 4.147 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.69 atom: 264 26I-HB B 1.571 ambi=1 { CB:37.876 } atom: 239 23T-HG2 G2 0.935 ambi=1 { CG2:22.208 } ::sumAvg: 3.03 atom: 265 26I-HG12 G1 1.577 ambi=2 { CG1:28.639 } atom: 239 23T-HG2 G2 0.935 ambi=1 { CG2:22.208 } ::sumAvg: 3.89 atom: 387 36I-HB B 1.552 ambi=1 { CB:42.569 } atom: 239 23T-HG2 G2 0.935 ambi=1 { CG2:22.208 } ::sumAvg: 4.32 atom: 239 23T-HG2 G2 0.935 ambi=1 { CG2:22.208 } atom: 389 36I-HG13 G1 1.491 ambi=1 { CG1:27.882 } ::sumAvg: 3.905 atom: 389 36I-HG13 G1 1.491 ambi=1 { CG1:27.882 } atom: 239 23T-HG2 G2 0.935 ambi=1 { CG2:22.208 } ::sumAvg: 3.905 atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } atom: 239 23T-HG2 G2 0.935 ambi=1 { CG2:22.208 } ::sumAvg: 4.235 atom: 253 25V-HB B 2.067 ambi=1 { CB:31.925 } atom: 245 24G-H N 8.011 ambi=1 { N:110.691 } ::sumAvg: 4.99 atom: 254 25V-HG1 G1 0.762 ambi=2 { CG1:21.272 } atom: 245 24G-H N 8.011 ambi=1 { N:110.691 } :: atom: 255 25V-HG2 G2 1.035 ambi=2 { CG2:22.506 } atom: 245 24G-H N 8.011 ambi=1 { N:110.691 } ::sumAvg: 4.41 atom: 264 26I-HB B 1.571 ambi=1 { CB:37.876 } atom: 245 24G-H N 8.011 ambi=1 { N:110.691 } ::sumAvg: 4.945 atom: 246 24G-HA2 A 3.88 ambi=2 { CA:47.163 } atom: 252 25V-HA A 3.473 ambi=1 { CA:66.432 } ::sumAvg: 4.415 atom: 246 24G-HA2 A 3.88 ambi=2 { CA:47.163 } atom: 254 25V-HG1 G1 0.762 ambi=2 { CG1:21.272 } :: atom: 246 24G-HA2 A 3.88 ambi=2 { CA:47.163 } atom: 255 25V-HG2 G2 1.035 ambi=2 { CG2:22.506 } :: atom: 247 24G-HA3 A 3.672 ambi=2 { CA:47.163 } atom: 254 25V-HG1 G1 0.762 ambi=2 { CG1:21.272 } :: atom: 247 24G-HA3 A 3.672 ambi=2 { CA:47.163 } atom: 255 25V-HG2 G2 1.035 ambi=2 { CG2:22.506 } ::sumAvg: 4.02 atom: 254 25V-HG1 G1 0.762 ambi=2 { CG1:21.272 } atom: 246 24G-HA2 A 3.88 ambi=2 { CA:47.163 } :: atom: 255 25V-HG2 G2 1.035 ambi=2 { CG2:22.506 } atom: 246 24G-HA2 A 3.88 ambi=2 { CA:47.163 } :: atom: 254 25V-HG1 G1 0.762 ambi=2 { CG1:21.272 } atom: 247 24G-HA3 A 3.672 ambi=2 { CA:47.163 } :: atom: 255 25V-HG2 G2 1.035 ambi=2 { CG2:22.506 } atom: 247 24G-HA3 A 3.672 ambi=2 { CA:47.163 } ::sumAvg: 4.02 atom: 246 24G-HA2 A 3.88 ambi=2 { CA:47.163 } atom: 262 26I-H N 7.646 ambi=1 { N:116.606 } :: atom: 247 24G-HA3 A 3.672 ambi=2 { CA:47.163 } atom: 262 26I-H N 7.646 ambi=1 { N:116.606 } ::sumAvg: 4.47 atom: 246 24G-HA2 A 3.88 ambi=2 { CA:47.163 } atom: 276 27S-H N 7.783 ambi=1 { N:112.932 } :: atom: 247 24G-HA3 A 3.672 ambi=2 { CA:47.163 } atom: 276 27S-H N 7.783 ambi=1 { N:112.932 } ::sumAvg: 3.59 atom: 289 28K-HG2 G 1.424 ambi=2 { CG:25.177 } atom: 246 24G-HA2 A 3.88 ambi=2 { CA:47.163 } :: atom: 290 28K-HG3 G 1.557 ambi=2 { CG:25.177 } atom: 246 24G-HA2 A 3.88 ambi=2 { CA:47.163 } :: atom: 289 28K-HG2 G 1.424 ambi=2 { CG:25.177 } atom: 247 24G-HA3 A 3.672 ambi=2 { CA:47.163 } :: atom: 290 28K-HG3 G 1.557 ambi=2 { CG:25.177 } atom: 247 24G-HA3 A 3.672 ambi=2 { CA:47.163 } ::sumAvg: 4.695 atom: 264 26I-HB B 1.571 ambi=1 { CB:37.876 } atom: 251 25V-H N 7.898 ambi=1 { N:123.276 } ::sumAvg: 4.825 atom: 265 26I-HG12 G1 1.577 ambi=2 { CG1:28.639 } atom: 251 25V-H N 7.898 ambi=1 { N:123.276 } :: atom: 266 26I-HG13 G1 0.828 ambi=2 { CG1:28.639 } atom: 251 25V-H N 7.898 ambi=1 { N:123.276 } ::sumAvg: 4.39 atom: 289 28K-HG2 G 1.424 ambi=2 { CG:25.177 } atom: 251 25V-H N 7.898 ambi=1 { N:123.276 } :: atom: 290 28K-HG3 G 1.557 ambi=2 { CG:25.177 } atom: 251 25V-H N 7.898 ambi=1 { N:123.276 } ::sumAvg: 4.665 atom: 252 25V-HA A 3.473 ambi=1 { CA:66.432 } atom: 263 26I-HA A 2.698 ambi=1 { CA:64.163 } ::sumAvg: 4.885 atom: 263 26I-HA A 2.698 ambi=1 { CA:64.163 } atom: 252 25V-HA A 3.473 ambi=1 { CA:66.432 } ::sumAvg: 4.885 atom: 252 25V-HA A 3.473 ambi=1 { CA:66.432 } atom: 276 27S-H N 7.783 ambi=1 { N:112.932 } ::sumAvg: 4.41 atom: 252 25V-HA A 3.473 ambi=1 { CA:66.432 } atom: 280 27S-HG G 5.387 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.98 atom: 253 25V-HB B 2.067 ambi=1 { CB:31.925 } atom: 263 26I-HA A 2.698 ambi=1 { CA:64.163 } ::sumAvg: 4.43 atom: 263 26I-HA A 2.698 ambi=1 { CA:64.163 } atom: 253 25V-HB B 2.067 ambi=1 { CB:31.925 } ::sumAvg: 4.43 atom: 265 26I-HG12 G1 1.577 ambi=2 { CG1:28.639 } atom: 253 25V-HB B 2.067 ambi=1 { CB:31.925 } :: atom: 266 26I-HG13 G1 0.828 ambi=2 { CG1:28.639 } atom: 253 25V-HB B 2.067 ambi=1 { CB:31.925 } ::sumAvg: 3.69 atom: 253 25V-HB B 2.067 ambi=1 { CB:31.925 } atom: 268 26I-HD1 D1 0.675 ambi=1 { CD1:14.465 } ::sumAvg: 4.535 atom: 268 26I-HD1 D1 0.675 ambi=1 { CD1:14.465 } atom: 253 25V-HB B 2.067 ambi=1 { CB:31.925 } ::sumAvg: 4.535 atom: 253 25V-HB B 2.067 ambi=1 { CB:31.925 } atom: 748 66L-HA A 4.066 ambi=1 { CA:57.55 } ::sumAvg: 4.945 atom: 752 66L-HD1 D1 0.864 ambi=2 { CD1:26.104 } atom: 253 25V-HB B 2.067 ambi=1 { CB:31.925 } :: atom: 753 66L-HD2 D2 0.87 ambi=2 { CD2:23.102 } atom: 253 25V-HB B 2.067 ambi=1 { CB:31.925 } ::sumAvg: 3.33 atom: 263 26I-HA A 2.698 ambi=1 { CA:64.163 } atom: 254 25V-HG1 G1 0.762 ambi=2 { CG1:21.272 } :: atom: 263 26I-HA A 2.698 ambi=1 { CA:64.163 } atom: 255 25V-HG2 G2 1.035 ambi=2 { CG2:22.506 } ::sumAvg: 3.545 atom: 265 26I-HG12 G1 1.577 ambi=2 { CG1:28.639 } atom: 254 25V-HG1 G1 0.762 ambi=2 { CG1:21.272 } :: atom: 265 26I-HG12 G1 1.577 ambi=2 { CG1:28.639 } atom: 255 25V-HG2 G2 1.035 ambi=2 { CG2:22.506 } ::sumAvg: 4.28 atom: 254 25V-HG1 G1 0.762 ambi=2 { CG1:21.272 } atom: 287 28K-HB2 B 1.986 ambi=2 { CB:32.742 } :: atom: 254 25V-HG1 G1 0.762 ambi=2 { CG1:21.272 } atom: 288 28K-HB3 B 1.793 ambi=2 { CB:32.742 } :: atom: 255 25V-HG2 G2 1.035 ambi=2 { CG2:22.506 } atom: 287 28K-HB2 B 1.986 ambi=2 { CB:32.742 } :: atom: 255 25V-HG2 G2 1.035 ambi=2 { CG2:22.506 } atom: 288 28K-HB3 B 1.793 ambi=2 { CB:32.742 } ::sumAvg: 4.535 atom: 291 28K-HD2 D 1.58 ambi=2 { CD:28.803 } atom: 254 25V-HG1 G1 0.762 ambi=2 { CG1:21.272 } :: atom: 292 28K-HD3 D 1.64 ambi=2 { CD:28.803 } atom: 254 25V-HG1 G1 0.762 ambi=2 { CG1:21.272 } :: atom: 291 28K-HD2 D 1.58 ambi=2 { CD:28.803 } atom: 255 25V-HG2 G2 1.035 ambi=2 { CG2:22.506 } :: atom: 292 28K-HD3 D 1.64 ambi=2 { CD:28.803 } atom: 255 25V-HG2 G2 1.035 ambi=2 { CG2:22.506 } ::sumAvg: 3.655 atom: 254 25V-HG1 G1 0.762 ambi=2 { CG1:21.272 } atom: 731 65K-HA A 3.97 ambi=1 { CA:59.466 } :: atom: 255 25V-HG2 G2 1.035 ambi=2 { CG2:22.506 } atom: 731 65K-HA A 3.97 ambi=1 { CA:59.466 } ::sumAvg: 4.92 atom: 731 65K-HA A 3.97 ambi=1 { CA:59.466 } atom: 254 25V-HG1 G1 0.762 ambi=2 { CG1:21.272 } :: atom: 731 65K-HA A 3.97 ambi=1 { CA:59.466 } atom: 255 25V-HG2 G2 1.035 ambi=2 { CG2:22.506 } ::sumAvg: 4.92 atom: 254 25V-HG1 G1 0.762 ambi=2 { CG1:21.272 } atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } :: atom: 255 25V-HG2 G2 1.035 ambi=2 { CG2:22.506 } atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } ::sumAvg: 4.43 atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } atom: 254 25V-HG1 G1 0.762 ambi=2 { CG1:21.272 } :: atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } atom: 255 25V-HG2 G2 1.035 ambi=2 { CG2:22.506 } ::sumAvg: 4.43 atom: 263 26I-HA A 2.698 ambi=1 { CA:64.163 } atom: 277 27S-HA A 3.908 ambi=1 { CA:61.465 } ::sumAvg: 4.85 atom: 277 27S-HA A 3.908 ambi=1 { CA:61.465 } atom: 263 26I-HA A 2.698 ambi=1 { CA:64.163 } ::sumAvg: 4.85 atom: 263 26I-HA A 2.698 ambi=1 { CA:64.163 } atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } ::sumAvg: 4.2 atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } atom: 263 26I-HA A 2.698 ambi=1 { CA:64.163 } ::sumAvg: 4.2 atom: 266 26I-HG13 G1 0.828 ambi=2 { CG1:28.639 } atom: 264 26I-HB B 1.571 ambi=1 { CB:37.876 } ::sumAvg: 2.46 atom: 277 27S-HA A 3.908 ambi=1 { CA:61.465 } atom: 264 26I-HB B 1.571 ambi=1 { CB:37.876 } ::sumAvg: 4.405 atom: 264 26I-HB B 1.571 ambi=1 { CB:37.876 } atom: 278 27S-HB2 B 4.007 ambi=2 { CB:63.388 } :: atom: 264 26I-HB B 1.571 ambi=1 { CB:37.876 } atom: 279 27S-HB3 B 3.743 ambi=2 { CB:63.388 } ::sumAvg: 4.78 atom: 278 27S-HB2 B 4.007 ambi=2 { CB:63.388 } atom: 264 26I-HB B 1.571 ambi=1 { CB:37.876 } :: atom: 279 27S-HB3 B 3.743 ambi=2 { CB:63.388 } atom: 264 26I-HB B 1.571 ambi=1 { CB:37.876 } ::sumAvg: 4.78 atom: 264 26I-HB B 1.571 ambi=1 { CB:37.876 } atom: 280 27S-HG G 5.387 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.895 atom: 264 26I-HB B 1.571 ambi=1 { CB:37.876 } atom: 285 28K-H N 7.008 ambi=1 { N:118.978 } ::sumAvg: 4.945 atom: 264 26I-HB B 1.571 ambi=1 { CB:37.876 } atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } ::sumAvg: 4.365 atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } atom: 264 26I-HB B 1.571 ambi=1 { CB:37.876 } ::sumAvg: 4.365 atom: 265 26I-HG12 G1 1.577 ambi=2 { CG1:28.639 } atom: 306 29F-QD D 7.151 ambi=3 { CD1:131.074 } :: atom: 266 26I-HG13 G1 0.828 ambi=2 { CG1:28.639 } atom: 306 29F-QD D 7.151 ambi=3 { CD1:131.074 } ::sumAvg: 4.88 atom: 265 26I-HG12 G1 1.577 ambi=2 { CG1:28.639 } atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } :: atom: 266 26I-HG13 G1 0.828 ambi=2 { CG1:28.639 } atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } ::sumAvg: 3.805 atom: 265 26I-HG12 G1 1.577 ambi=2 { CG1:28.639 } atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } ::sumAvg: 4.325 atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } atom: 265 26I-HG12 G1 1.577 ambi=2 { CG1:28.639 } ::sumAvg: 4.325 atom: 266 26I-HG13 G1 0.828 ambi=2 { CG1:28.639 } atom: 535 49L-HB2 B 1.805 ambi=2 { CB:46.402 } :: atom: 266 26I-HG13 G1 0.828 ambi=2 { CG1:28.639 } atom: 536 49L-HB3 B 1.326 ambi=2 { CB:46.402 } ::sumAvg: 4.095 atom: 267 26I-HG2 G2 0.682 ambi=1 { CG2:17.676 } atom: 277 27S-HA A 3.908 ambi=1 { CA:61.465 } ::sumAvg: 3.335 atom: 267 26I-HG2 G2 0.682 ambi=1 { CG2:17.676 } atom: 278 27S-HB2 B 4.007 ambi=2 { CB:63.388 } :: atom: 267 26I-HG2 G2 0.682 ambi=1 { CG2:17.676 } atom: 279 27S-HB3 B 3.743 ambi=2 { CB:63.388 } ::sumAvg: 4.74 atom: 267 26I-HG2 G2 0.682 ambi=1 { CG2:17.676 } atom: 285 28K-H N 7.008 ambi=1 { N:118.978 } ::sumAvg: 4.77 atom: 267 26I-HG2 G2 0.682 ambi=1 { CG2:17.676 } atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } :: atom: 267 26I-HG2 G2 0.682 ambi=1 { CG2:17.676 } atom: 305 29F-HB3 B 3.073 ambi=2 { CB:38.723 } ::sumAvg: 4.02 atom: 267 26I-HG2 G2 0.682 ambi=1 { CG2:17.676 } atom: 306 29F-QD D 7.151 ambi=3 { CD1:131.074 } ::sumAvg: 2.915 atom: 267 26I-HG2 G2 0.682 ambi=1 { CG2:17.676 } atom: 329 31T-HG2 G2 1.086 ambi=1 { CG2:21.29 } ::sumAvg: 4.44 atom: 329 31T-HG2 G2 1.086 ambi=1 { CG2:21.29 } atom: 267 26I-HG2 G2 0.682 ambi=1 { CG2:17.676 } ::sumAvg: 4.44 atom: 387 36I-HB B 1.552 ambi=1 { CB:42.569 } atom: 267 26I-HG2 G2 0.682 ambi=1 { CG2:17.676 } ::sumAvg: 4.075 atom: 389 36I-HG13 G1 1.491 ambi=1 { CG1:27.882 } atom: 267 26I-HG2 G2 0.682 ambi=1 { CG2:17.676 } ::sumAvg: 4.62 atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } atom: 267 26I-HG2 G2 0.682 ambi=1 { CG2:17.676 } ::sumAvg: 4.325 atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } atom: 267 26I-HG2 G2 0.682 ambi=1 { CG2:17.676 } ::sumAvg: 3.98 atom: 563 51I-HG12 G1 1.332 ambi=2 { CG1:24.899 } atom: 267 26I-HG2 G2 0.682 ambi=1 { CG2:17.676 } ::sumAvg: 4.645 atom: 267 26I-HG2 G2 0.682 ambi=1 { CG2:17.676 } atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } ::sumAvg: 4.78 atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } atom: 267 26I-HG2 G2 0.682 ambi=1 { CG2:17.676 } ::sumAvg: 4.78 atom: 268 26I-HD1 D1 0.675 ambi=1 { CD1:14.465 } atom: 306 29F-QD D 7.151 ambi=3 { CD1:131.074 } ::sumAvg: 4.31 atom: 268 26I-HD1 D1 0.675 ambi=1 { CD1:14.465 } atom: 310 29F-HZ Z 7.036 ambi=1 { CZ:128.731 } ::sumAvg: 4.21 atom: 389 36I-HG13 G1 1.491 ambi=1 { CG1:27.882 } atom: 268 26I-HD1 D1 0.675 ambi=1 { CD1:14.465 } ::sumAvg: 4.585 atom: 268 26I-HD1 D1 0.675 ambi=1 { CD1:14.465 } atom: 515 47C-HB2 B 2.605 ambi=2 { CB:29.112 } :: atom: 268 26I-HD1 D1 0.675 ambi=1 { CD1:14.465 } atom: 516 47C-HB3 B 2.995 ambi=2 { CB:29.112 } ::sumAvg: 4.15 atom: 268 26I-HD1 D1 0.675 ambi=1 { CD1:14.465 } atom: 517 47C-HG G 1.093 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.995 atom: 268 26I-HD1 D1 0.675 ambi=1 { CD1:14.465 } atom: 533 49L-H N 9.435 ambi=1 { N:125.541 } ::sumAvg: 4.865 atom: 268 26I-HD1 D1 0.675 ambi=1 { CD1:14.465 } atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } ::sumAvg: 4.34 atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } atom: 268 26I-HD1 D1 0.675 ambi=1 { CD1:14.465 } ::sumAvg: 4.34 atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } atom: 268 26I-HD1 D1 0.675 ambi=1 { CD1:14.465 } ::sumAvg: 4.445 atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } atom: 268 26I-HD1 D1 0.675 ambi=1 { CD1:14.465 } ::sumAvg: 4.68 atom: 289 28K-HG2 G 1.424 ambi=2 { CG:25.177 } atom: 276 27S-H N 7.783 ambi=1 { N:112.932 } :: atom: 290 28K-HG3 G 1.557 ambi=2 { CG:25.177 } atom: 276 27S-H N 7.783 ambi=1 { N:112.932 } ::sumAvg: 4.11 atom: 277 27S-HA A 3.908 ambi=1 { CA:61.465 } atom: 302 29F-H N 7.691 ambi=1 { N:120.755 } ::sumAvg: 3.74 atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } atom: 277 27S-HA A 3.908 ambi=1 { CA:61.465 } :: atom: 305 29F-HB3 B 3.073 ambi=2 { CB:38.723 } atom: 277 27S-HA A 3.908 ambi=1 { CA:61.465 } ::sumAvg: 4.72 atom: 349 33I-HG12 G1 1.751 ambi=1 { CG1:27.655 } atom: 277 27S-HA A 3.908 ambi=1 { CA:61.465 } :: atom: 350 33I-HG13 G1 0.68 ambi=1 { CG1:27.655 } atom: 277 27S-HA A 3.908 ambi=1 { CA:61.465 } ::sumAvg: 4.415 atom: 279 27S-HB3 B 3.743 ambi=2 { CB:63.388 } atom: 286 28K-HA A 4.234 ambi=1 { CA:56.161 } ::sumAvg: 4.765 atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } atom: 285 28K-H N 7.008 ambi=1 { N:118.978 } :: atom: 305 29F-HB3 B 3.073 ambi=2 { CB:38.723 } atom: 285 28K-H N 7.008 ambi=1 { N:118.978 } ::sumAvg: 4.83 atom: 286 28K-HA A 4.234 ambi=1 { CA:56.161 } atom: 293 28K-QE E 2.911 ambi=2 { CE:42.029 } ::sumAvg: 4.655 atom: 287 28K-HB2 B 1.986 ambi=2 { CB:32.742 } atom: 303 29F-HA A 4.576 ambi=1 { CA:56.366 } :: atom: 288 28K-HB3 B 1.793 ambi=2 { CB:32.742 } atom: 303 29F-HA A 4.576 ambi=1 { CA:56.366 } ::sumAvg: 4.66 atom: 303 29F-HA A 4.576 ambi=1 { CA:56.366 } atom: 287 28K-HB2 B 1.986 ambi=2 { CB:32.742 } :: atom: 303 29F-HA A 4.576 ambi=1 { CA:56.366 } atom: 288 28K-HB3 B 1.793 ambi=2 { CB:32.742 } ::sumAvg: 4.66 atom: 303 29F-HA A 4.576 ambi=1 { CA:56.366 } atom: 302 29F-H N 7.691 ambi=1 { N:120.755 } ::sumAvg: 2.88 atom: 303 29F-HA A 4.576 ambi=1 { CA:56.366 } atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } :: atom: 303 29F-HA A 4.576 ambi=1 { CA:56.366 } atom: 305 29F-HB3 B 3.073 ambi=2 { CB:38.723 } ::sumAvg: 2.62 atom: 303 29F-HA A 4.576 ambi=1 { CA:56.366 } atom: 306 29F-QD D 7.151 ambi=3 { CD1:131.074 } ::sumAvg: 1.905 atom: 303 29F-HA A 4.576 ambi=1 { CA:56.366 } atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } ::sumAvg: 4.25 atom: 303 29F-HA A 4.576 ambi=1 { CA:56.366 } atom: 318 30D-H N 8.388 ambi=1 { N:122.23 } ::sumAvg: 2.785 atom: 303 29F-HA A 4.576 ambi=1 { CA:56.366 } atom: 320 30D-QB B 2.63 ambi=2 { CB:38.691 } ::sumAvg: 4.545 atom: 320 30D-QB B 2.63 ambi=2 { CB:38.691 } atom: 303 29F-HA A 4.576 ambi=1 { CA:56.366 } ::sumAvg: 4.545 atom: 303 29F-HA A 4.576 ambi=1 { CA:56.366 } atom: 326 31T-H N 7.663 ambi=1 { N:112.538 } ::sumAvg: 4.31 atom: 303 29F-HA A 4.576 ambi=1 { CA:56.366 } atom: 329 31T-HG2 G2 1.086 ambi=1 { CG2:21.29 } ::sumAvg: 4.515 atom: 303 29F-HA A 4.576 ambi=1 { CA:56.366 } atom: 655 58K-HZ Z 7.065 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.855 atom: 303 29F-HA A 4.576 ambi=1 { CA:56.366 } atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } :: atom: 303 29F-HA A 4.576 ambi=1 { CA:56.366 } atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } ::sumAvg: 3.96 atom: 303 29F-HA A 4.576 ambi=1 { CA:56.366 } atom: 738 65K-QE E 2.991 ambi=2 { CE:42.046 } ::sumAvg: 4.48 atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } :: atom: 305 29F-HB3 B 3.073 ambi=2 { CB:38.723 } atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } ::sumAvg: 4.43 atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } atom: 318 30D-H N 8.388 ambi=1 { N:122.23 } :: atom: 305 29F-HB3 B 3.073 ambi=2 { CB:38.723 } atom: 318 30D-H N 8.388 ambi=1 { N:122.23 } ::sumAvg: 2.755 atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } atom: 319 30D-HA A 4.65 ambi=1 { CA:53.331 } :: atom: 305 29F-HB3 B 3.073 ambi=2 { CB:38.723 } atom: 319 30D-HA A 4.65 ambi=1 { CA:53.331 } ::sumAvg: 4.89 atom: 319 30D-HA A 4.65 ambi=1 { CA:53.331 } atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } :: atom: 319 30D-HA A 4.65 ambi=1 { CA:53.331 } atom: 305 29F-HB3 B 3.073 ambi=2 { CB:38.723 } ::sumAvg: 4.89 atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } atom: 320 30D-QB B 2.63 ambi=2 { CB:38.691 } :: atom: 305 29F-HB3 B 3.073 ambi=2 { CB:38.723 } atom: 320 30D-QB B 2.63 ambi=2 { CB:38.691 } ::sumAvg: 4.61 atom: 320 30D-QB B 2.63 ambi=2 { CB:38.691 } atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } :: atom: 320 30D-QB B 2.63 ambi=2 { CB:38.691 } atom: 305 29F-HB3 B 3.073 ambi=2 { CB:38.723 } ::sumAvg: 4.61 atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } atom: 328 31T-HB B 4.077 ambi=1 { CB:70.319 } :: atom: 305 29F-HB3 B 3.073 ambi=2 { CB:38.723 } atom: 328 31T-HB B 4.077 ambi=1 { CB:70.319 } ::sumAvg: 4.635 atom: 328 31T-HB B 4.077 ambi=1 { CB:70.319 } atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } :: atom: 328 31T-HB B 4.077 ambi=1 { CB:70.319 } atom: 305 29F-HB3 B 3.073 ambi=2 { CB:38.723 } ::sumAvg: 4.635 atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } atom: 538 49L-HD1 D1 0.918 ambi=2 { CD1:25.483 } :: atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } atom: 539 49L-HD2 D2 0.856 ambi=2 { CD2:26.426 } :: atom: 305 29F-HB3 B 3.073 ambi=2 { CB:38.723 } atom: 538 49L-HD1 D1 0.918 ambi=2 { CD1:25.483 } :: atom: 305 29F-HB3 B 3.073 ambi=2 { CB:38.723 } atom: 539 49L-HD2 D2 0.856 ambi=2 { CD2:26.426 } ::sumAvg: 4.585 atom: 538 49L-HD1 D1 0.918 ambi=2 { CD1:25.483 } atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } :: atom: 539 49L-HD2 D2 0.856 ambi=2 { CD2:26.426 } atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } :: atom: 538 49L-HD1 D1 0.918 ambi=2 { CD1:25.483 } atom: 305 29F-HB3 B 3.073 ambi=2 { CB:38.723 } :: atom: 539 49L-HD2 D2 0.856 ambi=2 { CD2:26.426 } atom: 305 29F-HB3 B 3.073 ambi=2 { CB:38.723 } ::sumAvg: 4.585 atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } atom: 565 51I-HG2 G2 0.848 ambi=1 { CG2:18.577 } :: atom: 305 29F-HB3 B 3.073 ambi=2 { CB:38.723 } atom: 565 51I-HG2 G2 0.848 ambi=1 { CG2:18.577 } ::sumAvg: 4.47 atom: 565 51I-HG2 G2 0.848 ambi=1 { CG2:18.577 } atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } :: atom: 565 51I-HG2 G2 0.848 ambi=1 { CG2:18.577 } atom: 305 29F-HB3 B 3.073 ambi=2 { CB:38.723 } ::sumAvg: 4.47 atom: 304 29F-HB2 B 3.336 ambi=2 { CB:38.723 } atom: 655 58K-HZ Z 7.065 ambi=1 {attached_atom is not_assigned} :: atom: 305 29F-HB3 B 3.073 ambi=2 { CB:38.723 } atom: 655 58K-HZ Z 7.065 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.08 atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } atom: 306 29F-QD D 7.151 ambi=3 { CD1:131.074 } ::sumAvg: 4.935 atom: 563 51I-HG12 G1 1.332 ambi=2 { CG1:24.899 } atom: 306 29F-QD D 7.151 ambi=3 { CD1:131.074 } :: atom: 564 51I-HG13 G1 0.992 ambi=2 { CG1:24.899 } atom: 306 29F-QD D 7.151 ambi=3 { CD1:131.074 } ::sumAvg: 3.765 atom: 535 49L-HB2 B 1.805 ambi=2 { CB:46.402 } atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } :: atom: 536 49L-HB3 B 1.326 ambi=2 { CB:46.402 } atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } ::sumAvg: 4.78 atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } ::sumAvg: 4.945 atom: 563 51I-HG12 G1 1.332 ambi=2 { CG1:24.899 } atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } :: atom: 564 51I-HG13 G1 0.992 ambi=2 { CG1:24.899 } atom: 308 29F-QE E 7.065 ambi=3 { CE1:130.687 } ::sumAvg: 4.84 atom: 748 66L-HA A 4.066 ambi=1 { CA:57.55 } atom: 310 29F-HZ Z 7.036 ambi=1 { CZ:128.731 } ::sumAvg: 4.53 atom: 749 66L-HB2 B 2.204 ambi=2 { CB:43.218 } atom: 310 29F-HZ Z 7.036 ambi=1 { CZ:128.731 } :: atom: 750 66L-HB3 B 1.266 ambi=2 { CB:43.218 } atom: 310 29F-HZ Z 7.036 ambi=1 { CZ:128.731 } ::sumAvg: 4.955 atom: 319 30D-HA A 4.65 ambi=1 { CA:53.331 } atom: 318 30D-H N 8.388 ambi=1 { N:122.23 } ::sumAvg: 2.89 atom: 329 31T-HG2 G2 1.086 ambi=1 { CG2:21.29 } atom: 318 30D-H N 8.388 ambi=1 { N:122.23 } ::sumAvg: 3.67 atom: 319 30D-HA A 4.65 ambi=1 { CA:53.331 } atom: 320 30D-QB B 2.63 ambi=2 { CB:38.691 } ::sumAvg: 2.28 atom: 319 30D-HA A 4.65 ambi=1 { CA:53.331 } atom: 326 31T-H N 7.663 ambi=1 { N:112.538 } ::sumAvg: 3.365 atom: 319 30D-HA A 4.65 ambi=1 { CA:53.331 } atom: 329 31T-HG2 G2 1.086 ambi=1 { CG2:21.29 } ::sumAvg: 4.885 atom: 329 31T-HG2 G2 1.086 ambi=1 { CG2:21.29 } atom: 319 30D-HA A 4.65 ambi=1 { CA:53.331 } ::sumAvg: 4.885 atom: 320 30D-QB B 2.63 ambi=2 { CB:38.691 } atom: 327 31T-HA A 4.558 ambi=1 { CA:59.333 } ::sumAvg: 4.36 atom: 327 31T-HA A 4.558 ambi=1 { CA:59.333 } atom: 320 30D-QB B 2.63 ambi=2 { CB:38.691 } ::sumAvg: 4.36 atom: 320 30D-QB B 2.63 ambi=2 { CB:38.691 } atom: 328 31T-HB B 4.077 ambi=1 { CB:70.319 } ::sumAvg: 4.57 atom: 328 31T-HB B 4.077 ambi=1 { CB:70.319 } atom: 320 30D-QB B 2.63 ambi=2 { CB:38.691 } ::sumAvg: 4.57 atom: 320 30D-QB B 2.63 ambi=2 { CB:38.691 } atom: 329 31T-HG2 G2 1.086 ambi=1 { CG2:21.29 } ::sumAvg: 4.475 atom: 320 30D-QB B 2.63 ambi=2 { CB:38.691 } atom: 655 58K-HZ Z 7.065 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.115 atom: 320 30D-QB B 2.63 ambi=2 { CB:38.691 } atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } :: atom: 320 30D-QB B 2.63 ambi=2 { CB:38.691 } atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } ::sumAvg: 4.895 atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } atom: 320 30D-QB B 2.63 ambi=2 { CB:38.691 } :: atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } atom: 320 30D-QB B 2.63 ambi=2 { CB:38.691 } ::sumAvg: 4.895 atom: 327 31T-HA A 4.558 ambi=1 { CA:59.333 } atom: 326 31T-H N 7.663 ambi=1 { N:112.538 } ::sumAvg: 2.925 atom: 327 31T-HA A 4.558 ambi=1 { CA:59.333 } atom: 328 31T-HB B 4.077 ambi=1 { CB:70.319 } ::sumAvg: 2.425 atom: 327 31T-HA A 4.558 ambi=1 { CA:59.333 } atom: 329 31T-HG2 G2 1.086 ambi=1 { CG2:21.29 } ::sumAvg: 3.21 atom: 327 31T-HA A 4.558 ambi=1 { CA:59.333 } atom: 335 32N-H N 8.308 ambi=1 { N:121.973 } ::sumAvg: 2.48 atom: 327 31T-HA A 4.558 ambi=1 { CA:59.333 } atom: 337 32N-HB2 B 2.975 ambi=2 { CB:39.337 } :: atom: 327 31T-HA A 4.558 ambi=1 { CA:59.333 } atom: 338 32N-HB3 B 2.869 ambi=2 { CB:39.337 } ::sumAvg: 4.555 atom: 337 32N-HB2 B 2.975 ambi=2 { CB:39.337 } atom: 327 31T-HA A 4.558 ambi=1 { CA:59.333 } :: atom: 338 32N-HB3 B 2.869 ambi=2 { CB:39.337 } atom: 327 31T-HA A 4.558 ambi=1 { CA:59.333 } ::sumAvg: 4.555 atom: 328 31T-HB B 4.077 ambi=1 { CB:70.319 } atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } ::sumAvg: 4.755 atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } atom: 328 31T-HB B 4.077 ambi=1 { CB:70.319 } ::sumAvg: 4.755 atom: 328 31T-HB B 4.077 ambi=1 { CB:70.319 } atom: 653 58K-HE2 E 2.942 ambi=2 { CE:41.883 } :: atom: 328 31T-HB B 4.077 ambi=1 { CB:70.319 } atom: 654 58K-HE3 E 2.892 ambi=2 { CE:41.883 } ::sumAvg: 4.14 atom: 653 58K-HE2 E 2.942 ambi=2 { CE:41.883 } atom: 328 31T-HB B 4.077 ambi=1 { CB:70.319 } :: atom: 654 58K-HE3 E 2.892 ambi=2 { CE:41.883 } atom: 328 31T-HB B 4.077 ambi=1 { CB:70.319 } ::sumAvg: 4.14 atom: 328 31T-HB B 4.077 ambi=1 { CB:70.319 } atom: 655 58K-HZ Z 7.065 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.025 atom: 329 31T-HG2 G2 1.086 ambi=1 { CG2:21.29 } atom: 336 32N-HA A 4.91 ambi=1 { CA:52.732 } ::sumAvg: 4.335 atom: 336 32N-HA A 4.91 ambi=1 { CA:52.732 } atom: 329 31T-HG2 G2 1.086 ambi=1 { CG2:21.29 } ::sumAvg: 4.335 atom: 329 31T-HG2 G2 1.086 ambi=1 { CG2:21.29 } atom: 347 33I-HA A 3.846 ambi=1 { CA:63.3 } ::sumAvg: 4.425 atom: 347 33I-HA A 3.846 ambi=1 { CA:63.3 } atom: 329 31T-HG2 G2 1.086 ambi=1 { CG2:21.29 } ::sumAvg: 4.425 atom: 329 31T-HG2 G2 1.086 ambi=1 { CG2:21.29 } atom: 350 33I-HG13 G1 0.68 ambi=1 { CG1:27.655 } ::sumAvg: 4.705 atom: 350 33I-HG13 G1 0.68 ambi=1 { CG1:27.655 } atom: 329 31T-HG2 G2 1.086 ambi=1 { CG2:21.29 } ::sumAvg: 4.705 atom: 329 31T-HG2 G2 1.086 ambi=1 { CG2:21.29 } atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } ::sumAvg: 4.475 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 329 31T-HG2 G2 1.086 ambi=1 { CG2:21.29 } ::sumAvg: 4.475 atom: 329 31T-HG2 G2 1.086 ambi=1 { CG2:21.29 } atom: 655 58K-HZ Z 7.065 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.675 atom: 336 32N-HA A 4.91 ambi=1 { CA:52.732 } atom: 335 32N-H N 8.308 ambi=1 { N:121.973 } ::sumAvg: 2.93 atom: 336 32N-HA A 4.91 ambi=1 { CA:52.732 } atom: 337 32N-HB2 B 2.975 ambi=2 { CB:39.337 } :: atom: 336 32N-HA A 4.91 ambi=1 { CA:52.732 } atom: 338 32N-HB3 B 2.869 ambi=2 { CB:39.337 } ::sumAvg: 2.475 atom: 336 32N-HA A 4.91 ambi=1 { CA:52.732 } atom: 339 32N-HD21 D2 7.499 ambi=2 { ND2:109.919 } :: atom: 336 32N-HA A 4.91 ambi=1 { CA:52.732 } atom: 340 32N-HD22 D2 6.87 ambi=2 { ND2:109.919 } ::sumAvg: 3.22 atom: 336 32N-HA A 4.91 ambi=1 { CA:52.732 } atom: 346 33I-H N 8.32 ambi=1 { N:125.984 } ::sumAvg: 2.175 atom: 336 32N-HA A 4.91 ambi=1 { CA:52.732 } atom: 347 33I-HA A 3.846 ambi=1 { CA:63.3 } ::sumAvg: 4.385 atom: 347 33I-HA A 3.846 ambi=1 { CA:63.3 } atom: 336 32N-HA A 4.91 ambi=1 { CA:52.732 } ::sumAvg: 4.385 atom: 336 32N-HA A 4.91 ambi=1 { CA:52.732 } atom: 348 33I-HB B 1.482 ambi=1 { CB:39.167 } ::sumAvg: 4.68 atom: 336 32N-HA A 4.91 ambi=1 { CA:52.732 } atom: 350 33I-HG13 G1 0.68 ambi=1 { CG1:27.655 } ::sumAvg: 4.53 atom: 350 33I-HG13 G1 0.68 ambi=1 { CG1:27.655 } atom: 336 32N-HA A 4.91 ambi=1 { CA:52.732 } ::sumAvg: 4.53 atom: 336 32N-HA A 4.91 ambi=1 { CA:52.732 } atom: 565 51I-HG2 G2 0.848 ambi=1 { CG2:18.577 } ::sumAvg: 4.16 atom: 337 32N-HB2 B 2.975 ambi=2 { CB:39.337 } atom: 565 51I-HG2 G2 0.848 ambi=1 { CG2:18.577 } :: atom: 338 32N-HB3 B 2.869 ambi=2 { CB:39.337 } atom: 565 51I-HG2 G2 0.848 ambi=1 { CG2:18.577 } ::sumAvg: 4.82 atom: 347 33I-HA A 3.846 ambi=1 { CA:63.3 } atom: 361 34R-HA A 4.538 ambi=1 { CA:54.9 } ::sumAvg: 4.465 atom: 361 34R-HA A 4.538 ambi=1 { CA:54.9 } atom: 347 33I-HA A 3.846 ambi=1 { CA:63.3 } ::sumAvg: 4.465 atom: 347 33I-HA A 3.846 ambi=1 { CA:63.3 } atom: 376 35T-H N 7.698 ambi=1 { N:111.895 } ::sumAvg: 3.71 atom: 347 33I-HA A 3.846 ambi=1 { CA:63.3 } atom: 547 50M-H N 8.978 ambi=1 { N:123.131 } ::sumAvg: 4.9 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 347 33I-HA A 3.846 ambi=1 { CA:63.3 } ::sumAvg: 3.69 atom: 347 33I-HA A 3.846 ambi=1 { CA:63.3 } atom: 562 51I-HB B 1.831 ambi=1 { CB:41.447 } ::sumAvg: 4.4 atom: 350 33I-HG13 G1 0.68 ambi=1 { CG1:27.655 } atom: 348 33I-HB B 1.482 ambi=1 { CB:39.167 } ::sumAvg: 2.75 atom: 348 33I-HB B 1.482 ambi=1 { CB:39.167 } atom: 360 34R-H N 8.858 ambi=1 { N:126.537 } ::sumAvg: 4.435 atom: 348 33I-HB B 1.482 ambi=1 { CB:39.167 } atom: 390 36I-HG2 G2 0.751 ambi=1 { CG2:17.219 } ::sumAvg: 4.73 atom: 390 36I-HG2 G2 0.751 ambi=1 { CG2:17.219 } atom: 348 33I-HB B 1.482 ambi=1 { CB:39.167 } ::sumAvg: 4.73 atom: 348 33I-HB B 1.482 ambi=1 { CB:39.167 } atom: 565 51I-HG2 G2 0.848 ambi=1 { CG2:18.577 } ::sumAvg: 4.315 atom: 565 51I-HG2 G2 0.848 ambi=1 { CG2:18.577 } atom: 349 33I-HG12 G1 1.751 ambi=1 { CG1:27.655 } ::sumAvg: 3.48 atom: 361 34R-HA A 4.538 ambi=1 { CA:54.9 } atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } ::sumAvg: 4.1 atom: 362 34R-HB2 B 1.51 ambi=2 { CB:30.275 } atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } :: atom: 363 34R-HB3 B 1.927 ambi=2 { CB:30.275 } atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } ::sumAvg: 4.845 atom: 377 35T-HA A 5.311 ambi=1 { CA:61.04 } atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } ::sumAvg: 3.42 atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } atom: 378 35T-HB B 3.764 ambi=1 { CB:74.055 } ::sumAvg: 4.9 atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } atom: 379 35T-HG2 G2 1.283 ambi=1 { CG2:22.495 } ::sumAvg: 4.61 atom: 379 35T-HG2 G2 1.283 ambi=1 { CG2:22.495 } atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } ::sumAvg: 4.61 atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } atom: 385 36I-H N 8.907 ambi=1 { N:123.257 } ::sumAvg: 3.675 atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } ::sumAvg: 3.995 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } ::sumAvg: 3.995 atom: 387 36I-HB B 1.552 ambi=1 { CB:42.569 } atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } ::sumAvg: 2.28 atom: 389 36I-HG13 G1 1.491 ambi=1 { CG1:27.882 } atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } ::sumAvg: 4.595 atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } ::sumAvg: 4.33 atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } ::sumAvg: 4.9 atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } atom: 547 50M-H N 8.978 ambi=1 { N:123.131 } ::sumAvg: 3.6 atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } :: atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } ::sumAvg: 4.59 atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } :: atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } ::sumAvg: 4.59 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 351 33I-HG2 G2 0.638 ambi=1 { CG2:17.382 } ::sumAvg: 4.95 atom: 387 36I-HB B 1.552 ambi=1 { CB:42.569 } atom: 352 33I-HD1 D1 0.678 ambi=1 { CD1:14.527 } ::sumAvg: 4.225 atom: 361 34R-HA A 4.538 ambi=1 { CA:54.9 } atom: 360 34R-H N 8.858 ambi=1 { N:126.537 } ::sumAvg: 2.91 atom: 362 34R-HB2 B 1.51 ambi=2 { CB:30.275 } atom: 360 34R-H N 8.858 ambi=1 { N:126.537 } :: atom: 363 34R-HB3 B 1.927 ambi=2 { CB:30.275 } atom: 360 34R-H N 8.858 ambi=1 { N:126.537 } ::sumAvg: 2.555 atom: 364 34R-HG2 G 1.503 ambi=2 { CG:24.976 } atom: 360 34R-H N 8.858 ambi=1 { N:126.537 } :: atom: 365 34R-HG3 G 1.425 ambi=2 { CG:24.976 } atom: 360 34R-H N 8.858 ambi=1 { N:126.537 } ::sumAvg: 3.44 atom: 366 34R-HD2 D 2.899 ambi=2 { CD:41.134 } atom: 360 34R-H N 8.858 ambi=1 { N:126.537 } :: atom: 367 34R-HD3 D 2.754 ambi=2 { CD:41.134 } atom: 360 34R-H N 8.858 ambi=1 { N:126.537 } ::sumAvg: 4.045 atom: 538 49L-HD1 D1 0.918 ambi=2 { CD1:25.483 } atom: 360 34R-H N 8.858 ambi=1 { N:126.537 } :: atom: 539 49L-HD2 D2 0.856 ambi=2 { CD2:26.426 } atom: 360 34R-H N 8.858 ambi=1 { N:126.537 } ::sumAvg: 4.36 atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } atom: 360 34R-H N 8.858 ambi=1 { N:126.537 } :: atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } atom: 360 34R-H N 8.858 ambi=1 { N:126.537 } ::sumAvg: 4.36 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 360 34R-H N 8.858 ambi=1 { N:126.537 } ::sumAvg: 2.855 atom: 361 34R-HA A 4.538 ambi=1 { CA:54.9 } atom: 362 34R-HB2 B 1.51 ambi=2 { CB:30.275 } :: atom: 361 34R-HA A 4.538 ambi=1 { CA:54.9 } atom: 363 34R-HB3 B 1.927 ambi=2 { CB:30.275 } ::sumAvg: 2.62 atom: 361 34R-HA A 4.538 ambi=1 { CA:54.9 } atom: 364 34R-HG2 G 1.503 ambi=2 { CG:24.976 } :: atom: 361 34R-HA A 4.538 ambi=1 { CA:54.9 } atom: 365 34R-HG3 G 1.425 ambi=2 { CG:24.976 } ::sumAvg: 3.035 atom: 361 34R-HA A 4.538 ambi=1 { CA:54.9 } atom: 366 34R-HD2 D 2.899 ambi=2 { CD:41.134 } :: atom: 361 34R-HA A 4.538 ambi=1 { CA:54.9 } atom: 367 34R-HD3 D 2.754 ambi=2 { CD:41.134 } ::sumAvg: 3.245 atom: 361 34R-HA A 4.538 ambi=1 { CA:54.9 } atom: 368 34R-HE E 6.559 ambi=1 { NE:82.073 } ::sumAvg: 3.485 atom: 361 34R-HA A 4.538 ambi=1 { CA:54.9 } atom: 376 35T-H N 7.698 ambi=1 { N:111.895 } ::sumAvg: 3.51 atom: 361 34R-HA A 4.538 ambi=1 { CA:54.9 } atom: 377 35T-HA A 5.311 ambi=1 { CA:61.04 } ::sumAvg: 4.57 atom: 377 35T-HA A 5.311 ambi=1 { CA:61.04 } atom: 361 34R-HA A 4.538 ambi=1 { CA:54.9 } ::sumAvg: 4.57 atom: 364 34R-HG2 G 1.503 ambi=2 { CG:24.976 } atom: 363 34R-HB3 B 1.927 ambi=2 { CB:30.275 } :: atom: 365 34R-HG3 G 1.425 ambi=2 { CG:24.976 } atom: 363 34R-HB3 B 1.927 ambi=2 { CB:30.275 } ::sumAvg: 2.385 atom: 362 34R-HB2 B 1.51 ambi=2 { CB:30.275 } atom: 366 34R-HD2 D 2.899 ambi=2 { CD:41.134 } :: atom: 362 34R-HB2 B 1.51 ambi=2 { CB:30.275 } atom: 367 34R-HD3 D 2.754 ambi=2 { CD:41.134 } :: atom: 363 34R-HB3 B 1.927 ambi=2 { CB:30.275 } atom: 366 34R-HD2 D 2.899 ambi=2 { CD:41.134 } :: atom: 363 34R-HB3 B 1.927 ambi=2 { CB:30.275 } atom: 367 34R-HD3 D 2.754 ambi=2 { CD:41.134 } ::sumAvg: 3 atom: 362 34R-HB2 B 1.51 ambi=2 { CB:30.275 } atom: 368 34R-HE E 6.559 ambi=1 { NE:82.073 } :: atom: 363 34R-HB3 B 1.927 ambi=2 { CB:30.275 } atom: 368 34R-HE E 6.559 ambi=1 { NE:82.073 } ::sumAvg: 3.775 atom: 362 34R-HB2 B 1.51 ambi=2 { CB:30.275 } atom: 377 35T-HA A 5.311 ambi=1 { CA:61.04 } :: atom: 363 34R-HB3 B 1.927 ambi=2 { CB:30.275 } atom: 377 35T-HA A 5.311 ambi=1 { CA:61.04 } ::sumAvg: 4.915 atom: 362 34R-HB2 B 1.51 ambi=2 { CB:30.275 } atom: 378 35T-HB B 3.764 ambi=1 { CB:74.055 } :: atom: 363 34R-HB3 B 1.927 ambi=2 { CB:30.275 } atom: 378 35T-HB B 3.764 ambi=1 { CB:74.055 } ::sumAvg: 4.465 atom: 362 34R-HB2 B 1.51 ambi=2 { CB:30.275 } atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } ::sumAvg: 3.99 atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } atom: 362 34R-HB2 B 1.51 ambi=2 { CB:30.275 } ::sumAvg: 3.99 atom: 362 34R-HB2 B 1.51 ambi=2 { CB:30.275 } atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } :: atom: 363 34R-HB3 B 1.927 ambi=2 { CB:30.275 } atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } ::sumAvg: 3.595 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 362 34R-HB2 B 1.51 ambi=2 { CB:30.275 } :: atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 363 34R-HB3 B 1.927 ambi=2 { CB:30.275 } ::sumAvg: 3.595 atom: 362 34R-HB2 B 1.51 ambi=2 { CB:30.275 } atom: 578 52F-QD D 7.002 ambi=3 { CD1:130.696 } :: atom: 363 34R-HB3 B 1.927 ambi=2 { CB:30.275 } atom: 578 52F-QD D 7.002 ambi=3 { CD1:130.696 } ::sumAvg: 3.985 atom: 362 34R-HB2 B 1.51 ambi=2 { CB:30.275 } atom: 580 52F-QE E 7.314 ambi=3 { CE1:131.523 } :: atom: 363 34R-HB3 B 1.927 ambi=2 { CB:30.275 } atom: 580 52F-QE E 7.314 ambi=3 { CE1:131.523 } ::sumAvg: 3.825 atom: 362 34R-HB2 B 1.51 ambi=2 { CB:30.275 } atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } :: atom: 363 34R-HB3 B 1.927 ambi=2 { CB:30.275 } atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } ::sumAvg: 4.795 atom: 364 34R-HG2 G 1.503 ambi=2 { CG:24.976 } atom: 368 34R-HE E 6.559 ambi=1 { NE:82.073 } :: atom: 365 34R-HG3 G 1.425 ambi=2 { CG:24.976 } atom: 368 34R-HE E 6.559 ambi=1 { NE:82.073 } ::sumAvg: 2.99 atom: 364 34R-HG2 G 1.503 ambi=2 { CG:24.976 } atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } :: atom: 365 34R-HG3 G 1.425 ambi=2 { CG:24.976 } atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } ::sumAvg: 4.045 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 364 34R-HG2 G 1.503 ambi=2 { CG:24.976 } :: atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 365 34R-HG3 G 1.425 ambi=2 { CG:24.976 } ::sumAvg: 4.045 atom: 366 34R-HD2 D 2.899 ambi=2 { CD:41.134 } atom: 368 34R-HE E 6.559 ambi=1 { NE:82.073 } :: atom: 367 34R-HD3 D 2.754 ambi=2 { CD:41.134 } atom: 368 34R-HE E 6.559 ambi=1 { NE:82.073 } ::sumAvg: 2.65 atom: 366 34R-HD2 D 2.899 ambi=2 { CD:41.134 } atom: 578 52F-QD D 7.002 ambi=3 { CD1:130.696 } :: atom: 367 34R-HD3 D 2.754 ambi=2 { CD:41.134 } atom: 578 52F-QD D 7.002 ambi=3 { CD1:130.696 } ::sumAvg: 4.075 atom: 366 34R-HD2 D 2.899 ambi=2 { CD:41.134 } atom: 580 52F-QE E 7.314 ambi=3 { CE1:131.523 } :: atom: 367 34R-HD3 D 2.754 ambi=2 { CD:41.134 } atom: 580 52F-QE E 7.314 ambi=3 { CE1:131.523 } ::sumAvg: 3.255 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 376 35T-H N 7.698 ambi=1 { N:111.895 } ::sumAvg: 4.87 atom: 387 36I-HB B 1.552 ambi=1 { CB:42.569 } atom: 376 35T-H N 7.698 ambi=1 { N:111.895 } ::sumAvg: 4.595 atom: 548 50M-HA A 5.723 ambi=1 { CA:54.073 } atom: 376 35T-H N 7.698 ambi=1 { N:111.895 } ::sumAvg: 4.835 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 376 35T-H N 7.698 ambi=1 { N:111.895 } ::sumAvg: 4.375 atom: 377 35T-HA A 5.311 ambi=1 { CA:61.04 } atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } ::sumAvg: 4.47 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 377 35T-HA A 5.311 ambi=1 { CA:61.04 } ::sumAvg: 4.47 atom: 387 36I-HB B 1.552 ambi=1 { CB:42.569 } atom: 377 35T-HA A 5.311 ambi=1 { CA:61.04 } ::sumAvg: 4.585 atom: 377 35T-HA A 5.311 ambi=1 { CA:61.04 } atom: 390 36I-HG2 G2 0.751 ambi=1 { CG2:17.219 } ::sumAvg: 3.995 atom: 377 35T-HA A 5.311 ambi=1 { CA:61.04 } atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } :: atom: 377 35T-HA A 5.311 ambi=1 { CA:61.04 } atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } ::sumAvg: 4.08 atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } atom: 377 35T-HA A 5.311 ambi=1 { CA:61.04 } :: atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } atom: 377 35T-HA A 5.311 ambi=1 { CA:61.04 } ::sumAvg: 4.08 atom: 378 35T-HB B 3.764 ambi=1 { CB:74.055 } atom: 385 36I-H N 8.907 ambi=1 { N:123.257 } ::sumAvg: 3.995 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 378 35T-HB B 3.764 ambi=1 { CB:74.055 } ::sumAvg: 4.455 atom: 378 35T-HB B 3.764 ambi=1 { CB:74.055 } atom: 548 50M-HA A 5.723 ambi=1 { CA:54.073 } ::sumAvg: 4.755 atom: 548 50M-HA A 5.723 ambi=1 { CA:54.073 } atom: 378 35T-HB B 3.764 ambi=1 { CB:74.055 } ::sumAvg: 4.755 atom: 378 35T-HB B 3.764 ambi=1 { CB:74.055 } atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } ::sumAvg: 3.01 atom: 379 35T-HG2 G2 1.283 ambi=1 { CG2:22.495 } atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } ::sumAvg: 3.345 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 379 35T-HG2 G2 1.283 ambi=1 { CG2:22.495 } ::sumAvg: 3.345 atom: 379 35T-HG2 G2 1.283 ambi=1 { CG2:22.495 } atom: 390 36I-HG2 G2 0.751 ambi=1 { CG2:17.219 } ::sumAvg: 4.215 atom: 390 36I-HG2 G2 0.751 ambi=1 { CG2:17.219 } atom: 379 35T-HG2 G2 1.283 ambi=1 { CG2:22.495 } ::sumAvg: 4.215 atom: 379 35T-HG2 G2 1.283 ambi=1 { CG2:22.495 } atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } ::sumAvg: 4.88 atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } atom: 379 35T-HG2 G2 1.283 ambi=1 { CG2:22.495 } ::sumAvg: 4.88 atom: 379 35T-HG2 G2 1.283 ambi=1 { CG2:22.495 } atom: 401 37V-HB B 2.076 ambi=1 { CB:34.186 } ::sumAvg: 4.635 atom: 379 35T-HG2 G2 1.283 ambi=1 { CG2:22.495 } atom: 547 50M-H N 8.978 ambi=1 { N:123.131 } ::sumAvg: 4.545 atom: 379 35T-HG2 G2 1.283 ambi=1 { CG2:22.495 } atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } ::sumAvg: 3.585 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 385 36I-H N 8.907 ambi=1 { N:123.257 } ::sumAvg: 2.915 atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } atom: 385 36I-H N 8.907 ambi=1 { N:123.257 } ::sumAvg: 4.845 atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } atom: 385 36I-H N 8.907 ambi=1 { N:123.257 } :: atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } atom: 385 36I-H N 8.907 ambi=1 { N:123.257 } ::sumAvg: 4.96 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 387 36I-HB B 1.552 ambi=1 { CB:42.569 } ::sumAvg: 2.505 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 388 36I-HG12 G1 0.844 ambi=1 { CG1:27.882 } :: atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 389 36I-HG13 G1 1.491 ambi=1 { CG1:27.882 } ::sumAvg: 2.945 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 390 36I-HG2 G2 0.751 ambi=1 { CG2:17.219 } ::sumAvg: 3.225 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } ::sumAvg: 2.85 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 399 37V-H N 8.933 ambi=1 { N:126.323 } ::sumAvg: 2.185 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 401 37V-HB B 2.076 ambi=1 { CB:34.186 } ::sumAvg: 4.61 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 402 37V-HG1 G1 0.962 ambi=2 { CG1:21.261 } :: atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 403 37V-HG2 G2 1.008 ambi=2 { CG2:20.724 } ::sumAvg: 3.59 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 522 48N-H N 9.293 ambi=1 { N:129.52 } ::sumAvg: 4.9 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 524 48N-HB2 B 2.708 ambi=2 { CB:40.059 } :: atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 525 48N-HB3 B 2.47 ambi=2 { CB:40.059 } ::sumAvg: 4.515 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } ::sumAvg: 2.85 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 535 49L-HB2 B 1.805 ambi=2 { CB:46.402 } :: atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 536 49L-HB3 B 1.326 ambi=2 { CB:46.402 } ::sumAvg: 4.89 atom: 535 49L-HB2 B 1.805 ambi=2 { CB:46.402 } atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } :: atom: 536 49L-HB3 B 1.326 ambi=2 { CB:46.402 } atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } ::sumAvg: 4.89 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 538 49L-HD1 D1 0.918 ambi=2 { CD1:25.483 } :: atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 539 49L-HD2 D2 0.856 ambi=2 { CD2:26.426 } ::sumAvg: 3.73 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 547 50M-H N 8.978 ambi=1 { N:123.131 } ::sumAvg: 3.365 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } :: atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } ::sumAvg: 4.71 atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } :: atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } ::sumAvg: 4.71 atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 551 50M-HG2 G 2.518 ambi=2 { CG:32.262 } :: atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } atom: 552 50M-HG3 G 2.378 ambi=2 { CG:32.262 } ::sumAvg: 4.32 atom: 551 50M-HG2 G 2.518 ambi=2 { CG:32.262 } atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } :: atom: 552 50M-HG3 G 2.378 ambi=2 { CG:32.262 } atom: 386 36I-HA A 4.753 ambi=1 { CA:61.4 } ::sumAvg: 4.32 atom: 387 36I-HB B 1.552 ambi=1 { CB:42.569 } atom: 388 36I-HG12 G1 0.844 ambi=1 { CG1:27.882 } ::sumAvg: 2.76 atom: 387 36I-HB B 1.552 ambi=1 { CB:42.569 } atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } ::sumAvg: 3.585 atom: 387 36I-HB B 1.552 ambi=1 { CB:42.569 } atom: 538 49L-HD1 D1 0.918 ambi=2 { CD1:25.483 } :: atom: 387 36I-HB B 1.552 ambi=1 { CB:42.569 } atom: 539 49L-HD2 D2 0.856 ambi=2 { CD2:26.426 } ::sumAvg: 3.075 atom: 387 36I-HB B 1.552 ambi=1 { CB:42.569 } atom: 547 50M-H N 8.978 ambi=1 { N:123.131 } ::sumAvg: 3.955 atom: 390 36I-HG2 G2 0.751 ambi=1 { CG2:17.219 } atom: 389 36I-HG13 G1 1.491 ambi=1 { CG1:27.882 } ::sumAvg: 2.825 atom: 388 36I-HG12 G1 0.844 ambi=1 { CG1:27.882 } atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } :: atom: 389 36I-HG13 G1 1.491 ambi=1 { CG1:27.882 } atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } ::sumAvg: 4.755 atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } atom: 388 36I-HG12 G1 0.844 ambi=1 { CG1:27.882 } :: atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } atom: 389 36I-HG13 G1 1.491 ambi=1 { CG1:27.882 } ::sumAvg: 4.755 atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } atom: 388 36I-HG12 G1 0.844 ambi=1 { CG1:27.882 } ::sumAvg: 4.22 atom: 389 36I-HG13 G1 1.491 ambi=1 { CG1:27.882 } atom: 522 48N-H N 9.293 ambi=1 { N:129.52 } ::sumAvg: 4.925 atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } atom: 388 36I-HG12 G1 0.844 ambi=1 { CG1:27.882 } :: atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } atom: 389 36I-HG13 G1 1.491 ambi=1 { CG1:27.882 } ::sumAvg: 3.5 atom: 388 36I-HG12 G1 0.844 ambi=1 { CG1:27.882 } atom: 535 49L-HB2 B 1.805 ambi=2 { CB:46.402 } :: atom: 388 36I-HG12 G1 0.844 ambi=1 { CG1:27.882 } atom: 536 49L-HB3 B 1.326 ambi=2 { CB:46.402 } ::sumAvg: 4.955 atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } atom: 390 36I-HG2 G2 0.751 ambi=1 { CG2:17.219 } ::sumAvg: 3.76 atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } atom: 390 36I-HG2 G2 0.751 ambi=1 { CG2:17.219 } ::sumAvg: 4.64 atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } ::sumAvg: 4.065 atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } ::sumAvg: 4.615 atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } ::sumAvg: 4.615 atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } atom: 515 47C-HB2 B 2.605 ambi=2 { CB:29.112 } :: atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } atom: 516 47C-HB3 B 2.995 ambi=2 { CB:29.112 } ::sumAvg: 4.49 atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } atom: 522 48N-H N 9.293 ambi=1 { N:129.52 } ::sumAvg: 4.32 atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } atom: 533 49L-H N 9.435 ambi=1 { N:125.541 } ::sumAvg: 4.53 atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } atom: 535 49L-HB2 B 1.805 ambi=2 { CB:46.402 } :: atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } atom: 536 49L-HB3 B 1.326 ambi=2 { CB:46.402 } ::sumAvg: 3.72 atom: 535 49L-HB2 B 1.805 ambi=2 { CB:46.402 } atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } :: atom: 536 49L-HB3 B 1.326 ambi=2 { CB:46.402 } atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } ::sumAvg: 3.72 atom: 391 36I-HD1 D1 0.743 ambi=1 { CD1:14.358 } atom: 547 50M-H N 8.978 ambi=1 { N:123.131 } ::sumAvg: 4.53 atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } atom: 399 37V-H N 8.933 ambi=1 { N:126.323 } ::sumAvg: 2.955 atom: 523 48N-HA A 5.629 ambi=1 { CA:51.962 } atom: 399 37V-H N 8.933 ambi=1 { N:126.323 } ::sumAvg: 4.585 atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } atom: 401 37V-HB B 2.076 ambi=1 { CB:34.186 } ::sumAvg: 3.03 atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } atom: 402 37V-HG1 G1 0.962 ambi=2 { CG1:21.261 } :: atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } atom: 403 37V-HG2 G2 1.008 ambi=2 { CG2:20.724 } ::sumAvg: 2.405 atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } atom: 410 38L-H N 9.751 ambi=1 { N:133.332 } ::sumAvg: 2.215 atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } ::sumAvg: 4.445 atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } ::sumAvg: 4.445 atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } ::sumAvg: 4.165 atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } ::sumAvg: 4.165 atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } atom: 522 48N-H N 9.293 ambi=1 { N:129.52 } ::sumAvg: 4.64 atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } atom: 524 48N-HB2 B 2.708 ambi=2 { CB:40.059 } :: atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } atom: 525 48N-HB3 B 2.47 ambi=2 { CB:40.059 } ::sumAvg: 4.865 atom: 524 48N-HB2 B 2.708 ambi=2 { CB:40.059 } atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } :: atom: 525 48N-HB3 B 2.47 ambi=2 { CB:40.059 } atom: 400 37V-HA A 4.903 ambi=1 { CA:62.1 } ::sumAvg: 4.865 atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } atom: 401 37V-HB B 2.076 ambi=1 { CB:34.186 } ::sumAvg: 4.725 atom: 401 37V-HB B 2.076 ambi=1 { CB:34.186 } atom: 526 48N-HD21 D2 7.191 ambi=2 { ND2:109.781 } :: atom: 401 37V-HB B 2.076 ambi=1 { CB:34.186 } atom: 527 48N-HD22 D2 6.787 ambi=2 { ND2:109.781 } ::sumAvg: 4.5 atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } atom: 402 37V-HG1 G1 0.962 ambi=2 { CG1:21.261 } :: atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } atom: 403 37V-HG2 G2 1.008 ambi=2 { CG2:20.724 } ::sumAvg: 4.415 atom: 426 39N-QB B 2.649 ambi=2 { CB:43.287 } atom: 410 38L-H N 9.751 ambi=1 { N:133.332 } ::sumAvg: 4.895 atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } atom: 410 38L-H N 9.751 ambi=1 { N:133.332 } ::sumAvg: 4.425 atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } atom: 426 39N-QB B 2.649 ambi=2 { CB:43.287 } ::sumAvg: 4.575 atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } atom: 428 39N-HD21 D2 7.682 ambi=2 { ND2:113.464 } :: atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } atom: 429 39N-HD22 D2 6.735 ambi=2 { ND2:113.464 } ::sumAvg: 4.97 atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } :: atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } ::sumAvg: 4.945 atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } :: atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } ::sumAvg: 4.945 atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } ::sumAvg: 4.495 atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } ::sumAvg: 4.495 atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } ::sumAvg: 4.215 atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } atom: 515 47C-HB2 B 2.605 ambi=2 { CB:29.112 } :: atom: 411 38L-HA A 5.636 ambi=1 { CA:53.81 } atom: 516 47C-HB3 B 2.995 ambi=2 { CB:29.112 } ::sumAvg: 3.78 atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } atom: 425 39N-HA A 5.45 ambi=1 { CA:53.137 } ::sumAvg: 4.545 atom: 425 39N-HA A 5.45 ambi=1 { CA:53.137 } atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } ::sumAvg: 4.545 atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } ::sumAvg: 4.605 atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } atom: 515 47C-HB2 B 2.605 ambi=2 { CB:29.112 } :: atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } atom: 516 47C-HB3 B 2.995 ambi=2 { CB:29.112 } ::sumAvg: 3.19 atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } atom: 517 47C-HG G 1.093 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.32 atom: 412 38L-QB B 1.561 ambi=2 { CB:45.655 } atom: 522 48N-H N 9.293 ambi=1 { N:129.52 } ::sumAvg: 4.43 atom: 414 38L-HG G 1.574 ambi=1 { CG:27.894 } atom: 425 39N-HA A 5.45 ambi=1 { CA:53.137 } ::sumAvg: 4.85 atom: 425 39N-HA A 5.45 ambi=1 { CA:53.137 } atom: 414 38L-HG G 1.574 ambi=1 { CG:27.894 } ::sumAvg: 4.85 atom: 414 38L-HG G 1.574 ambi=1 { CG:27.894 } atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } :: atom: 414 38L-HG G 1.574 ambi=1 { CG:27.894 } atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } ::sumAvg: 3.24 atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } atom: 414 38L-HG G 1.574 ambi=1 { CG:27.894 } :: atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } atom: 414 38L-HG G 1.574 ambi=1 { CG:27.894 } ::sumAvg: 3.24 atom: 414 38L-HG G 1.574 ambi=1 { CG:27.894 } atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } ::sumAvg: 4.29 atom: 414 38L-HG G 1.574 ambi=1 { CG:27.894 } atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } ::sumAvg: 4.3 atom: 414 38L-HG G 1.574 ambi=1 { CG:27.894 } atom: 513 47C-H N 9.619 ambi=1 { N:124.781 } ::sumAvg: 4.3 atom: 414 38L-HG G 1.574 ambi=1 { CG:27.894 } atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } ::sumAvg: 3.345 atom: 414 38L-HG G 1.574 ambi=1 { CG:27.894 } atom: 517 47C-HG G 1.093 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.8 atom: 436 40A-HA A 5.345 ambi=1 { CA:51.37 } atom: 415 38L-HD1 D1 0.668 ambi=2 { CD1:26.38 } :: atom: 436 40A-HA A 5.345 ambi=1 { CA:51.37 } atom: 416 38L-HD2 D2 0.57 ambi=2 { CD2:24.312 } ::sumAvg: 4.28 atom: 415 38L-HD1 D1 0.668 ambi=2 { CD1:26.38 } atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } :: atom: 416 38L-HD2 D2 0.57 ambi=2 { CD2:24.312 } atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } ::sumAvg: 4.355 atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } atom: 415 38L-HD1 D1 0.668 ambi=2 { CD1:26.38 } :: atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } atom: 416 38L-HD2 D2 0.57 ambi=2 { CD2:24.312 } ::sumAvg: 4.355 atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } atom: 415 38L-HD1 D1 0.668 ambi=2 { CD1:26.38 } :: atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } atom: 415 38L-HD1 D1 0.668 ambi=2 { CD1:26.38 } :: atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } atom: 416 38L-HD2 D2 0.57 ambi=2 { CD2:24.312 } :: atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } atom: 416 38L-HD2 D2 0.57 ambi=2 { CD2:24.312 } ::sumAvg: 2.65 atom: 415 38L-HD1 D1 0.668 ambi=2 { CD1:26.38 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } :: atom: 416 38L-HD2 D2 0.57 ambi=2 { CD2:24.312 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } ::sumAvg: 4.965 atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } atom: 415 38L-HD1 D1 0.668 ambi=2 { CD1:26.38 } :: atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } atom: 416 38L-HD2 D2 0.57 ambi=2 { CD2:24.312 } ::sumAvg: 4.965 atom: 436 40A-HA A 5.345 ambi=1 { CA:51.37 } atom: 424 39N-H N 8.952 ambi=1 { N:123.262 } ::sumAvg: 4.82 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 424 39N-H N 8.952 ambi=1 { N:123.262 } ::sumAvg: 4.98 atom: 437 40A-HB B 1.335 ambi=1 { CB:20.975 } atom: 425 39N-HA A 5.45 ambi=1 { CA:53.137 } ::sumAvg: 4.03 atom: 425 39N-HA A 5.45 ambi=1 { CA:53.137 } atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } :: atom: 425 39N-HA A 5.45 ambi=1 { CA:53.137 } atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } ::sumAvg: 4.755 atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } atom: 425 39N-HA A 5.45 ambi=1 { CA:53.137 } :: atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } atom: 425 39N-HA A 5.45 ambi=1 { CA:53.137 } ::sumAvg: 4.755 atom: 425 39N-HA A 5.45 ambi=1 { CA:53.137 } atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } ::sumAvg: 4.82 atom: 425 39N-HA A 5.45 ambi=1 { CA:53.137 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } ::sumAvg: 4.805 atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } atom: 425 39N-HA A 5.45 ambi=1 { CA:53.137 } ::sumAvg: 4.805 atom: 426 39N-QB B 2.649 ambi=2 { CB:43.287 } atom: 436 40A-HA A 5.345 ambi=1 { CA:51.37 } ::sumAvg: 4.61 atom: 436 40A-HA A 5.345 ambi=1 { CA:51.37 } atom: 426 39N-QB B 2.649 ambi=2 { CB:43.287 } ::sumAvg: 4.61 atom: 437 40A-HB B 1.335 ambi=1 { CB:20.975 } atom: 426 39N-QB B 2.649 ambi=2 { CB:43.287 } ::sumAvg: 4.69 atom: 448 41K-QD D 1.624 ambi=2 { CD:29.321 } atom: 426 39N-QB B 2.649 ambi=2 { CB:43.287 } ::sumAvg: 4.585 atom: 426 39N-QB B 2.649 ambi=2 { CB:43.287 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } ::sumAvg: 3.95 atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } atom: 435 40A-H N 8.467 ambi=1 { N:127.058 } ::sumAvg: 4.34 atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } atom: 435 40A-H N 8.467 ambi=1 { N:127.058 } :: atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } atom: 435 40A-H N 8.467 ambi=1 { N:127.058 } ::sumAvg: 4.475 atom: 436 40A-HA A 5.345 ambi=1 { CA:51.37 } atom: 443 41K-HA A 4.435 ambi=1 { CA:56.736 } ::sumAvg: 4.425 atom: 443 41K-HA A 4.435 ambi=1 { CA:56.736 } atom: 436 40A-HA A 5.345 ambi=1 { CA:51.37 } ::sumAvg: 4.425 atom: 436 40A-HA A 5.345 ambi=1 { CA:51.37 } atom: 444 41K-QB B 1.815 ambi=2 { CB:34.811 } ::sumAvg: 4.4 atom: 436 40A-HA A 5.345 ambi=1 { CA:51.37 } atom: 448 41K-QD D 1.624 ambi=2 { CD:29.321 } ::sumAvg: 4.38 atom: 448 41K-QD D 1.624 ambi=2 { CD:29.321 } atom: 436 40A-HA A 5.345 ambi=1 { CA:51.37 } ::sumAvg: 4.38 atom: 436 40A-HA A 5.345 ambi=1 { CA:51.37 } atom: 473 44I-H N 8.117 ambi=1 { N:122.284 } ::sumAvg: 4.715 atom: 436 40A-HA A 5.345 ambi=1 { CA:51.37 } atom: 487 45F-H N 8.955 ambi=1 { N:121.747 } ::sumAvg: 4.21 atom: 436 40A-HA A 5.345 ambi=1 { CA:51.37 } atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } ::sumAvg: 4.71 atom: 436 40A-HA A 5.345 ambi=1 { CA:51.37 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } ::sumAvg: 4.36 atom: 443 41K-HA A 4.435 ambi=1 { CA:56.736 } atom: 437 40A-HB B 1.335 ambi=1 { CB:20.975 } ::sumAvg: 4.125 atom: 437 40A-HB B 1.335 ambi=1 { CB:20.975 } atom: 444 41K-QB B 1.815 ambi=2 { CB:34.811 } ::sumAvg: 4.74 atom: 437 40A-HB B 1.335 ambi=1 { CB:20.975 } atom: 467 43G-H N 9.306 ambi=1 { N:104.61 } ::sumAvg: 4.775 atom: 468 43G-HA2 A 4.443 ambi=2 { CA:45.661 } atom: 437 40A-HB B 1.335 ambi=1 { CB:20.975 } :: atom: 469 43G-HA3 A 3.816 ambi=2 { CA:45.661 } atom: 437 40A-HB B 1.335 ambi=1 { CB:20.975 } ::sumAvg: 4.875 atom: 437 40A-HB B 1.335 ambi=1 { CB:20.975 } atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } ::sumAvg: 4.61 atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } atom: 437 40A-HB B 1.335 ambi=1 { CB:20.975 } ::sumAvg: 4.61 atom: 437 40A-HB B 1.335 ambi=1 { CB:20.975 } atom: 487 45F-H N 8.955 ambi=1 { N:121.747 } ::sumAvg: 4.405 atom: 443 41K-HA A 4.435 ambi=1 { CA:56.736 } atom: 442 41K-H N 8.865 ambi=1 { N:121.996 } ::sumAvg: 2.925 atom: 448 41K-QD D 1.624 ambi=2 { CD:29.321 } atom: 442 41K-H N 8.865 ambi=1 { N:121.996 } ::sumAvg: 3.34 atom: 450 41K-QE E 2.975 ambi=2 { CE:42.031 } atom: 442 41K-H N 8.865 ambi=1 { N:121.996 } ::sumAvg: 4 atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } atom: 442 41K-H N 8.865 ambi=1 { N:121.996 } ::sumAvg: 4.95 atom: 475 44I-HB B 2.005 ambi=1 { CB:42.013 } atom: 442 41K-H N 8.865 ambi=1 { N:121.996 } ::sumAvg: 4.165 atom: 478 44I-HG2 G2 0.937 ambi=1 { CG2:18.002 } atom: 442 41K-H N 8.865 ambi=1 { N:121.996 } ::sumAvg: 4.955 atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } atom: 442 41K-H N 8.865 ambi=1 { N:121.996 } :: atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } atom: 442 41K-H N 8.865 ambi=1 { N:121.996 } ::sumAvg: 4.685 atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } atom: 442 41K-H N 8.865 ambi=1 { N:121.996 } ::sumAvg: 4.66 atom: 443 41K-HA A 4.435 ambi=1 { CA:56.736 } atom: 444 41K-QB B 1.815 ambi=2 { CB:34.811 } ::sumAvg: 2.31 atom: 443 41K-HA A 4.435 ambi=1 { CA:56.736 } atom: 446 41K-QG G 1.335 ambi=2 { CG:23.995 } ::sumAvg: 3.415 atom: 443 41K-HA A 4.435 ambi=1 { CA:56.736 } atom: 448 41K-QD D 1.624 ambi=2 { CD:29.321 } ::sumAvg: 3.95 atom: 443 41K-HA A 4.435 ambi=1 { CA:56.736 } atom: 459 42D-H N 9.197 ambi=1 { N:122.213 } ::sumAvg: 2.84 atom: 443 41K-HA A 4.435 ambi=1 { CA:56.736 } atom: 467 43G-H N 9.306 ambi=1 { N:104.61 } ::sumAvg: 4.365 atom: 443 41K-HA A 4.435 ambi=1 { CA:56.736 } atom: 473 44I-H N 8.117 ambi=1 { N:122.284 } ::sumAvg: 4.815 atom: 450 41K-QE E 2.975 ambi=2 { CE:42.031 } atom: 444 41K-QB B 1.815 ambi=2 { CB:34.811 } ::sumAvg: 3.705 atom: 444 41K-QB B 1.815 ambi=2 { CB:34.811 } atom: 460 42D-HA A 4.373 ambi=1 { CA:55.547 } ::sumAvg: 4.695 atom: 460 42D-HA A 4.373 ambi=1 { CA:55.547 } atom: 444 41K-QB B 1.815 ambi=2 { CB:34.811 } ::sumAvg: 4.695 atom: 461 42D-HB2 B 2.752 ambi=2 { CB:39.485 } atom: 444 41K-QB B 1.815 ambi=2 { CB:34.811 } :: atom: 462 42D-HB3 B 3.001 ambi=2 { CB:39.485 } atom: 444 41K-QB B 1.815 ambi=2 { CB:34.811 } ::sumAvg: 4.235 atom: 444 41K-QB B 1.815 ambi=2 { CB:34.811 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } ::sumAvg: 4.975 atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } atom: 444 41K-QB B 1.815 ambi=2 { CB:34.811 } ::sumAvg: 4.975 atom: 446 41K-QG G 1.335 ambi=2 { CG:23.995 } atom: 460 42D-HA A 4.373 ambi=1 { CA:55.547 } ::sumAvg: 4.665 atom: 460 42D-HA A 4.373 ambi=1 { CA:55.547 } atom: 446 41K-QG G 1.335 ambi=2 { CG:23.995 } ::sumAvg: 4.665 atom: 446 41K-QG G 1.335 ambi=2 { CG:23.995 } atom: 473 44I-H N 8.117 ambi=1 { N:122.284 } ::sumAvg: 4.675 atom: 446 41K-QG G 1.335 ambi=2 { CG:23.995 } atom: 475 44I-HB B 2.005 ambi=1 { CB:42.013 } ::sumAvg: 4.665 atom: 475 44I-HB B 2.005 ambi=1 { CB:42.013 } atom: 446 41K-QG G 1.335 ambi=2 { CG:23.995 } ::sumAvg: 4.665 atom: 448 41K-QD D 1.624 ambi=2 { CD:29.321 } atom: 450 41K-QE E 2.975 ambi=2 { CE:42.031 } ::sumAvg: 2.04 atom: 448 41K-QD D 1.624 ambi=2 { CD:29.321 } atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } ::sumAvg: 4.74 atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } atom: 448 41K-QD D 1.624 ambi=2 { CD:29.321 } ::sumAvg: 4.74 atom: 448 41K-QD D 1.624 ambi=2 { CD:29.321 } atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } ::sumAvg: 4.715 atom: 448 41K-QD D 1.624 ambi=2 { CD:29.321 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } ::sumAvg: 3.365 atom: 475 44I-HB B 2.005 ambi=1 { CB:42.013 } atom: 450 41K-QE E 2.975 ambi=2 { CE:42.031 } ::sumAvg: 3.96 atom: 450 41K-QE E 2.975 ambi=2 { CE:42.031 } atom: 478 44I-HG2 G2 0.937 ambi=1 { CG2:18.002 } ::sumAvg: 4.65 atom: 478 44I-HG2 G2 0.937 ambi=1 { CG2:18.002 } atom: 450 41K-QE E 2.975 ambi=2 { CE:42.031 } ::sumAvg: 4.65 atom: 450 41K-QE E 2.975 ambi=2 { CE:42.031 } atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } ::sumAvg: 4.725 atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } atom: 450 41K-QE E 2.975 ambi=2 { CE:42.031 } ::sumAvg: 4.725 atom: 450 41K-QE E 2.975 ambi=2 { CE:42.031 } atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } ::sumAvg: 4.515 atom: 450 41K-QE E 2.975 ambi=2 { CE:42.031 } atom: 505 46T-HB B 4.058 ambi=1 { CB:71.38 } ::sumAvg: 3.96 atom: 505 46T-HB B 4.058 ambi=1 { CB:71.38 } atom: 450 41K-QE E 2.975 ambi=2 { CE:42.031 } ::sumAvg: 3.96 atom: 450 41K-QE E 2.975 ambi=2 { CE:42.031 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } ::sumAvg: 2.845 atom: 460 42D-HA A 4.373 ambi=1 { CA:55.547 } atom: 459 42D-H N 9.197 ambi=1 { N:122.213 } ::sumAvg: 2.6 atom: 460 42D-HA A 4.373 ambi=1 { CA:55.547 } atom: 461 42D-HB2 B 2.752 ambi=2 { CB:39.485 } :: atom: 460 42D-HA A 4.373 ambi=1 { CA:55.547 } atom: 462 42D-HB3 B 3.001 ambi=2 { CB:39.485 } ::sumAvg: 2.505 atom: 460 42D-HA A 4.373 ambi=1 { CA:55.547 } atom: 467 43G-H N 9.306 ambi=1 { N:104.61 } ::sumAvg: 3.29 atom: 460 42D-HA A 4.373 ambi=1 { CA:55.547 } atom: 469 43G-HA3 A 3.816 ambi=2 { CA:45.661 } ::sumAvg: 4.585 atom: 469 43G-HA3 A 3.816 ambi=2 { CA:45.661 } atom: 460 42D-HA A 4.373 ambi=1 { CA:55.547 } ::sumAvg: 4.585 atom: 460 42D-HA A 4.373 ambi=1 { CA:55.547 } atom: 473 44I-H N 8.117 ambi=1 { N:122.284 } ::sumAvg: 4.65 atom: 461 42D-HB2 B 2.752 ambi=2 { CB:39.485 } atom: 468 43G-HA2 A 4.443 ambi=2 { CA:45.661 } :: atom: 461 42D-HB2 B 2.752 ambi=2 { CB:39.485 } atom: 469 43G-HA3 A 3.816 ambi=2 { CA:45.661 } :: atom: 462 42D-HB3 B 3.001 ambi=2 { CB:39.485 } atom: 468 43G-HA2 A 4.443 ambi=2 { CA:45.661 } :: atom: 462 42D-HB3 B 3.001 ambi=2 { CB:39.485 } atom: 469 43G-HA3 A 3.816 ambi=2 { CA:45.661 } ::sumAvg: 4.915 atom: 468 43G-HA2 A 4.443 ambi=2 { CA:45.661 } atom: 461 42D-HB2 B 2.752 ambi=2 { CB:39.485 } :: atom: 469 43G-HA3 A 3.816 ambi=2 { CA:45.661 } atom: 461 42D-HB2 B 2.752 ambi=2 { CB:39.485 } :: atom: 468 43G-HA2 A 4.443 ambi=2 { CA:45.661 } atom: 462 42D-HB3 B 3.001 ambi=2 { CB:39.485 } :: atom: 469 43G-HA3 A 3.816 ambi=2 { CA:45.661 } atom: 462 42D-HB3 B 3.001 ambi=2 { CB:39.485 } ::sumAvg: 4.915 atom: 461 42D-HB2 B 2.752 ambi=2 { CB:39.485 } atom: 473 44I-H N 8.117 ambi=1 { N:122.284 } :: atom: 462 42D-HB3 B 3.001 ambi=2 { CB:39.485 } atom: 473 44I-H N 8.117 ambi=1 { N:122.284 } ::sumAvg: 3.895 atom: 461 42D-HB2 B 2.752 ambi=2 { CB:39.485 } atom: 475 44I-HB B 2.005 ambi=1 { CB:42.013 } :: atom: 462 42D-HB3 B 3.001 ambi=2 { CB:39.485 } atom: 475 44I-HB B 2.005 ambi=1 { CB:42.013 } ::sumAvg: 4.615 atom: 475 44I-HB B 2.005 ambi=1 { CB:42.013 } atom: 461 42D-HB2 B 2.752 ambi=2 { CB:39.485 } :: atom: 475 44I-HB B 2.005 ambi=1 { CB:42.013 } atom: 462 42D-HB3 B 3.001 ambi=2 { CB:39.485 } ::sumAvg: 4.615 atom: 461 42D-HB2 B 2.752 ambi=2 { CB:39.485 } atom: 479 44I-HD1 D1 0.859 ambi=1 { CD1:12.567 } :: atom: 462 42D-HB3 B 3.001 ambi=2 { CB:39.485 } atom: 479 44I-HD1 D1 0.859 ambi=1 { CD1:12.567 } ::sumAvg: 3.84 atom: 468 43G-HA2 A 4.443 ambi=2 { CA:45.661 } atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } :: atom: 469 43G-HA3 A 3.816 ambi=2 { CA:45.661 } atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } ::sumAvg: 4.53 atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } atom: 468 43G-HA2 A 4.443 ambi=2 { CA:45.661 } :: atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } atom: 469 43G-HA3 A 3.816 ambi=2 { CA:45.661 } ::sumAvg: 4.53 atom: 468 43G-HA2 A 4.443 ambi=2 { CA:45.661 } atom: 476 44I-HG12 G1 1.482 ambi=2 { CG1:26.391 } :: atom: 468 43G-HA2 A 4.443 ambi=2 { CA:45.661 } atom: 477 44I-HG13 G1 1.216 ambi=2 { CG1:26.391 } :: atom: 469 43G-HA3 A 3.816 ambi=2 { CA:45.661 } atom: 476 44I-HG12 G1 1.482 ambi=2 { CG1:26.391 } :: atom: 469 43G-HA3 A 3.816 ambi=2 { CA:45.661 } atom: 477 44I-HG13 G1 1.216 ambi=2 { CG1:26.391 } ::sumAvg: 3.81 atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } atom: 473 44I-H N 8.117 ambi=1 { N:122.284 } ::sumAvg: 4.84 atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } atom: 479 44I-HD1 D1 0.859 ambi=1 { CD1:12.567 } ::sumAvg: 3.9 atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } ::sumAvg: 4.49 atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } ::sumAvg: 4.49 atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } :: atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } ::sumAvg: 4.415 atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } :: atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } ::sumAvg: 4.415 atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } ::sumAvg: 3.87 atom: 474 44I-HA A 5.112 ambi=1 { CA:59.04 } atom: 844 73F-HZ Z 7.268 ambi=1 { CZ:129.876 } ::sumAvg: 4.445 atom: 475 44I-HB B 2.005 ambi=1 { CB:42.013 } atom: 479 44I-HD1 D1 0.859 ambi=1 { CD1:12.567 } ::sumAvg: 2.46 atom: 475 44I-HB B 2.005 ambi=1 { CB:42.013 } atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } ::sumAvg: 4.405 atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } atom: 475 44I-HB B 2.005 ambi=1 { CB:42.013 } ::sumAvg: 4.405 atom: 475 44I-HB B 2.005 ambi=1 { CB:42.013 } atom: 844 73F-HZ Z 7.268 ambi=1 { CZ:129.876 } ::sumAvg: 4.6 atom: 476 44I-HG12 G1 1.482 ambi=2 { CG1:26.391 } atom: 478 44I-HG2 G2 0.937 ambi=1 { CG2:18.002 } ::sumAvg: 2.435 atom: 476 44I-HG12 G1 1.482 ambi=2 { CG1:26.391 } atom: 479 44I-HD1 D1 0.859 ambi=1 { CD1:12.567 } ::sumAvg: 2.11 atom: 478 44I-HG2 G2 0.937 ambi=1 { CG2:18.002 } atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } :: atom: 478 44I-HG2 G2 0.937 ambi=1 { CG2:18.002 } atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } ::sumAvg: 4.645 atom: 478 44I-HG2 G2 0.937 ambi=1 { CG2:18.002 } atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } ::sumAvg: 4.825 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 478 44I-HG2 G2 0.937 ambi=1 { CG2:18.002 } ::sumAvg: 4.695 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 487 45F-H N 8.955 ambi=1 { N:121.747 } ::sumAvg: 4.985 atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } ::sumAvg: 4.45 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } ::sumAvg: 4.45 atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } atom: 505 46T-HB B 4.058 ambi=1 { CB:71.38 } ::sumAvg: 4.76 atom: 505 46T-HB B 4.058 ambi=1 { CB:71.38 } atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } ::sumAvg: 4.76 atom: 488 45F-HA A 5.74 ambi=1 { CA:55.872 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } ::sumAvg: 3.575 atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } :: atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } ::sumAvg: 4.68 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } :: atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } ::sumAvg: 4.68 atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } :: atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } ::sumAvg: 4.64 atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } :: atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } atom: 490 45F-HB3 B 2.875 ambi=2 { CB:42.74 } ::sumAvg: 4.64 atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } atom: 516 47C-HB3 B 2.995 ambi=2 { CB:29.112 } ::sumAvg: 4.93 atom: 516 47C-HB3 B 2.995 ambi=2 { CB:29.112 } atom: 489 45F-HB2 B 2.468 ambi=2 { CB:42.74 } ::sumAvg: 4.93 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } ::sumAvg: 3.63 atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } atom: 491 45F-QD D 6.672 ambi=3 { CD1:131.532 } ::sumAvg: 4.28 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } ::sumAvg: 4.745 atom: 826 72V-HA A 3.723 ambi=1 { CA:64.02 } atom: 493 45F-QE E 6.944 ambi=3 { CE1:130.421 } ::sumAvg: 4.915 atom: 797 69V-HG1 G1 0.854 ambi=2 { CG1:21.295 } atom: 495 45F-HZ Z 6.774 ambi=1 { CZ:127.768 } :: atom: 798 69V-HG2 G2 1.069 ambi=2 { CG2:22.03 } atom: 495 45F-HZ Z 6.774 ambi=1 { CZ:127.768 } ::sumAvg: 4.4 atom: 826 72V-HA A 3.723 ambi=1 { CA:64.02 } atom: 495 45F-HZ Z 6.774 ambi=1 { CZ:127.768 } ::sumAvg: 4.905 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } ::sumAvg: 2.95 atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } atom: 503 46T-H N 8.659 ambi=1 { N:113.42 } ::sumAvg: 4.875 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 505 46T-HB B 4.058 ambi=1 { CB:71.38 } ::sumAvg: 2.39 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 506 46T-HG1 G1 5.613 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.35 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } ::sumAvg: 3.21 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 513 47C-H N 9.619 ambi=1 { N:124.781 } ::sumAvg: 2.155 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } ::sumAvg: 4.43 atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } ::sumAvg: 4.43 atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 515 47C-HB2 B 2.605 ambi=2 { CB:29.112 } :: atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } atom: 516 47C-HB3 B 2.995 ambi=2 { CB:29.112 } ::sumAvg: 4.64 atom: 515 47C-HB2 B 2.605 ambi=2 { CB:29.112 } atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } :: atom: 516 47C-HB3 B 2.995 ambi=2 { CB:29.112 } atom: 504 46T-HA A 5.111 ambi=1 { CA:59.75 } ::sumAvg: 4.64 atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } ::sumAvg: 4.38 atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } ::sumAvg: 4.38 atom: 507 46T-HG2 G2 1.203 ambi=1 { CG2:21.301 } atom: 522 48N-H N 9.293 ambi=1 { N:129.52 } ::sumAvg: 4.965 atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } atom: 524 48N-HB2 B 2.708 ambi=2 { CB:40.059 } :: atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } atom: 525 48N-HB3 B 2.47 ambi=2 { CB:40.059 } ::sumAvg: 4.64 atom: 524 48N-HB2 B 2.708 ambi=2 { CB:40.059 } atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } :: atom: 525 48N-HB3 B 2.47 ambi=2 { CB:40.059 } atom: 514 47C-HA A 5.562 ambi=1 { CA:56.776 } ::sumAvg: 4.64 atom: 515 47C-HB2 B 2.605 ambi=2 { CB:29.112 } atom: 522 48N-H N 9.293 ambi=1 { N:129.52 } :: atom: 516 47C-HB3 B 2.995 ambi=2 { CB:29.112 } atom: 522 48N-H N 9.293 ambi=1 { N:129.52 } ::sumAvg: 4.37 atom: 523 48N-HA A 5.629 ambi=1 { CA:51.962 } atom: 526 48N-HD21 D2 7.191 ambi=2 { ND2:109.781 } :: atom: 523 48N-HA A 5.629 ambi=1 { CA:51.962 } atom: 527 48N-HD22 D2 6.787 ambi=2 { ND2:109.781 } ::sumAvg: 3.745 atom: 523 48N-HA A 5.629 ambi=1 { CA:51.962 } atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } ::sumAvg: 4.445 atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } atom: 523 48N-HA A 5.629 ambi=1 { CA:51.962 } ::sumAvg: 4.445 atom: 523 48N-HA A 5.629 ambi=1 { CA:51.962 } atom: 903 78L-HG G 1.425 ambi=1 { CG:26.712 } ::sumAvg: 4.92 atom: 524 48N-HB2 B 2.708 ambi=2 { CB:40.059 } atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } :: atom: 525 48N-HB3 B 2.47 ambi=2 { CB:40.059 } atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } ::sumAvg: 4.895 atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } atom: 524 48N-HB2 B 2.708 ambi=2 { CB:40.059 } :: atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } atom: 525 48N-HB3 B 2.47 ambi=2 { CB:40.059 } ::sumAvg: 4.895 atom: 551 50M-HG2 G 2.518 ambi=2 { CG:32.262 } atom: 533 49L-H N 9.435 ambi=1 { N:125.541 } :: atom: 552 50M-HG3 G 2.378 ambi=2 { CG:32.262 } atom: 533 49L-H N 9.435 ambi=1 { N:125.541 } ::sumAvg: 4.8 atom: 548 50M-HA A 5.723 ambi=1 { CA:54.073 } atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } ::sumAvg: 4.435 atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } :: atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } ::sumAvg: 4.665 atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } :: atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } ::sumAvg: 4.665 atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } atom: 551 50M-HG2 G 2.518 ambi=2 { CG:32.262 } :: atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } atom: 552 50M-HG3 G 2.378 ambi=2 { CG:32.262 } ::sumAvg: 3.98 atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } atom: 565 51I-HG2 G2 0.848 ambi=1 { CG2:18.577 } ::sumAvg: 4.635 atom: 565 51I-HG2 G2 0.848 ambi=1 { CG2:18.577 } atom: 534 49L-HA A 5.158 ambi=1 { CA:53.178 } ::sumAvg: 4.635 atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } atom: 547 50M-H N 8.978 ambi=1 { N:123.131 } ::sumAvg: 3.285 atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } atom: 548 50M-HA A 5.723 ambi=1 { CA:54.073 } ::sumAvg: 3.76 atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } atom: 560 51I-H N 9.056 ambi=1 { N:118.753 } ::sumAvg: 3.77 atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } atom: 564 51I-HG13 G1 0.992 ambi=2 { CG1:24.899 } ::sumAvg: 2.535 atom: 564 51I-HG13 G1 0.992 ambi=2 { CG1:24.899 } atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } ::sumAvg: 2.535 atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } atom: 566 51I-HD1 D1 0.625 ambi=1 { CD1:13.456 } ::sumAvg: 3.96 atom: 566 51I-HD1 D1 0.625 ambi=1 { CD1:13.456 } atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } ::sumAvg: 3.96 atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } :: atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } ::sumAvg: 4.615 atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } :: atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } atom: 537 49L-HG G 1.557 ambi=1 { CG:27.294 } ::sumAvg: 4.615 atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } atom: 538 49L-HD1 D1 0.918 ambi=2 { CD1:25.483 } :: atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } atom: 538 49L-HD1 D1 0.918 ambi=2 { CD1:25.483 } :: atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } atom: 539 49L-HD2 D2 0.856 ambi=2 { CD2:26.426 } :: atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } atom: 539 49L-HD2 D2 0.856 ambi=2 { CD2:26.426 } ::sumAvg: 4.36 atom: 538 49L-HD1 D1 0.918 ambi=2 { CD1:25.483 } atom: 560 51I-H N 9.056 ambi=1 { N:118.753 } :: atom: 539 49L-HD2 D2 0.856 ambi=2 { CD2:26.426 } atom: 560 51I-H N 9.056 ambi=1 { N:118.753 } ::sumAvg: 4.38 atom: 538 49L-HD1 D1 0.918 ambi=2 { CD1:25.483 } atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } :: atom: 539 49L-HD2 D2 0.856 ambi=2 { CD2:26.426 } atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } ::sumAvg: 4.475 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 538 49L-HD1 D1 0.918 ambi=2 { CD1:25.483 } :: atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 539 49L-HD2 D2 0.856 ambi=2 { CD2:26.426 } ::sumAvg: 4.475 atom: 697 62L-HB2 B 1.26 ambi=1 { CB:40.241 } atom: 539 49L-HD2 D2 0.856 ambi=2 { CD2:26.426 } ::sumAvg: 4.5 atom: 548 50M-HA A 5.723 ambi=1 { CA:54.073 } atom: 547 50M-H N 8.978 ambi=1 { N:123.131 } ::sumAvg: 2.95 atom: 563 51I-HG12 G1 1.332 ambi=2 { CG1:24.899 } atom: 547 50M-H N 8.978 ambi=1 { N:123.131 } :: atom: 564 51I-HG13 G1 0.992 ambi=2 { CG1:24.899 } atom: 547 50M-H N 8.978 ambi=1 { N:123.131 } ::sumAvg: 4.56 atom: 565 51I-HG2 G2 0.848 ambi=1 { CG2:18.577 } atom: 547 50M-H N 8.978 ambi=1 { N:123.131 } ::sumAvg: 3.54 atom: 548 50M-HA A 5.723 ambi=1 { CA:54.073 } atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } ::sumAvg: 4.425 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 548 50M-HA A 5.723 ambi=1 { CA:54.073 } ::sumAvg: 4.425 atom: 548 50M-HA A 5.723 ambi=1 { CA:54.073 } atom: 566 51I-HD1 D1 0.625 ambi=1 { CD1:13.456 } ::sumAvg: 4.63 atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } atom: 551 50M-HG2 G 2.518 ambi=2 { CG:32.262 } :: atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } atom: 551 50M-HG2 G 2.518 ambi=2 { CG:32.262 } :: atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } atom: 552 50M-HG3 G 2.378 ambi=2 { CG:32.262 } ::sumAvg: 2.405 atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } atom: 560 51I-H N 9.056 ambi=1 { N:118.753 } :: atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } atom: 560 51I-H N 9.056 ambi=1 { N:118.753 } ::sumAvg: 3.635 atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } :: atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } ::sumAvg: 4.64 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } :: atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } ::sumAvg: 4.64 atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } atom: 565 51I-HG2 G2 0.848 ambi=1 { CG2:18.577 } :: atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } atom: 565 51I-HG2 G2 0.848 ambi=1 { CG2:18.577 } ::sumAvg: 4.66 atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } atom: 937 81L-HD1 D1 0.843 ambi=2 { CD1:25.205 } :: atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } atom: 938 81L-HD2 D2 0.755 ambi=2 { CD2:23.24 } :: atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } atom: 937 81L-HD1 D1 0.843 ambi=2 { CD1:25.205 } :: atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } atom: 938 81L-HD2 D2 0.755 ambi=2 { CD2:23.24 } ::sumAvg: 4.54 atom: 549 50M-HB2 B 2.029 ambi=2 { CB:33.643 } atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } :: atom: 550 50M-HB3 B 1.868 ambi=2 { CB:33.643 } atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } ::sumAvg: 3.08 atom: 551 50M-HG2 G 2.518 ambi=2 { CG:32.262 } atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } :: atom: 552 50M-HG3 G 2.378 ambi=2 { CG:32.262 } atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } ::sumAvg: 2.875 atom: 553 50M-HE E 1.91 ambi=1 { CE:17.384 } atom: 901 78L-HB2 B 1.493 ambi=1 { CB:43.228 } :: atom: 553 50M-HE E 1.91 ambi=1 { CE:17.384 } atom: 902 78L-HB3 B 1.365 ambi=1 { CB:43.228 } ::sumAvg: 4.11 atom: 901 78L-HB2 B 1.493 ambi=1 { CB:43.228 } atom: 553 50M-HE E 1.91 ambi=1 { CE:17.384 } :: atom: 902 78L-HB3 B 1.365 ambi=1 { CB:43.228 } atom: 553 50M-HE E 1.91 ambi=1 { CE:17.384 } ::sumAvg: 4.11 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 560 51I-H N 9.056 ambi=1 { N:118.753 } ::sumAvg: 2.93 atom: 575 52F-HA A 5.345 ambi=1 { CA:56.478 } atom: 560 51I-H N 9.056 ambi=1 { N:118.753 } ::sumAvg: 4.825 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 562 51I-HB B 1.831 ambi=1 { CB:41.447 } ::sumAvg: 2.58 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 563 51I-HG12 G1 1.332 ambi=2 { CG1:24.899 } :: atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 564 51I-HG13 G1 0.992 ambi=2 { CG1:24.899 } ::sumAvg: 3.58 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 565 51I-HG2 G2 0.848 ambi=1 { CG2:18.577 } ::sumAvg: 2.25 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 566 51I-HD1 D1 0.625 ambi=1 { CD1:13.456 } ::sumAvg: 3.715 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 574 52F-H N 8.324 ambi=1 { N:120.91 } ::sumAvg: 2.475 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 576 52F-HB2 B 2.866 ambi=1 { CB:40.52 } ::sumAvg: 4.535 atom: 576 52F-HB2 B 2.866 ambi=1 { CB:40.52 } atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } ::sumAvg: 4.535 atom: 561 51I-HA A 5.044 ambi=1 { CA:58.495 } atom: 578 52F-QD D 7.002 ambi=3 { CD1:130.696 } ::sumAvg: 3.955 atom: 562 51I-HB B 1.831 ambi=1 { CB:41.447 } atom: 575 52F-HA A 5.345 ambi=1 { CA:56.478 } ::sumAvg: 4.595 atom: 575 52F-HA A 5.345 ambi=1 { CA:56.478 } atom: 562 51I-HB B 1.831 ambi=1 { CB:41.447 } ::sumAvg: 4.595 atom: 562 51I-HB B 1.831 ambi=1 { CB:41.447 } atom: 576 52F-HB2 B 2.866 ambi=1 { CB:40.52 } ::sumAvg: 4.645 atom: 576 52F-HB2 B 2.866 ambi=1 { CB:40.52 } atom: 562 51I-HB B 1.831 ambi=1 { CB:41.447 } ::sumAvg: 4.645 atom: 562 51I-HB B 1.831 ambi=1 { CB:41.447 } atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } :: atom: 562 51I-HB B 1.831 ambi=1 { CB:41.447 } atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } ::sumAvg: 4.285 atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } atom: 562 51I-HB B 1.831 ambi=1 { CB:41.447 } :: atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } atom: 562 51I-HB B 1.831 ambi=1 { CB:41.447 } ::sumAvg: 4.285 atom: 566 51I-HD1 D1 0.625 ambi=1 { CD1:13.456 } atom: 575 52F-HA A 5.345 ambi=1 { CA:56.478 } ::sumAvg: 3.77 atom: 575 52F-HA A 5.345 ambi=1 { CA:56.478 } atom: 566 51I-HD1 D1 0.625 ambi=1 { CD1:13.456 } ::sumAvg: 3.77 atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } atom: 566 51I-HD1 D1 0.625 ambi=1 { CD1:13.456 } ::sumAvg: 4.15 atom: 566 51I-HD1 D1 0.625 ambi=1 { CD1:13.456 } atom: 650 58K-HG3 G 1.446 ambi=1 { CG:24.459 } ::sumAvg: 4.385 atom: 653 58K-HE2 E 2.942 ambi=2 { CE:41.883 } atom: 566 51I-HD1 D1 0.625 ambi=1 { CD1:13.456 } :: atom: 654 58K-HE3 E 2.892 ambi=2 { CE:41.883 } atom: 566 51I-HD1 D1 0.625 ambi=1 { CD1:13.456 } ::sumAvg: 4.815 atom: 566 51I-HD1 D1 0.625 ambi=1 { CD1:13.456 } atom: 665 59L-HB2 B 2.233 ambi=2 { CB:41.727 } :: atom: 566 51I-HD1 D1 0.625 ambi=1 { CD1:13.456 } atom: 666 59L-HB3 B 1.495 ambi=2 { CB:41.727 } ::sumAvg: 4.445 atom: 699 62L-HG G 1.328 ambi=1 { CG:25.773 } atom: 566 51I-HD1 D1 0.625 ambi=1 { CD1:13.456 } ::sumAvg: 4.185 atom: 575 52F-HA A 5.345 ambi=1 { CA:56.478 } atom: 580 52F-QE E 7.314 ambi=3 { CE1:131.523 } ::sumAvg: 4.455 atom: 575 52F-HA A 5.345 ambi=1 { CA:56.478 } atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } ::sumAvg: 4.46 atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } atom: 575 52F-HA A 5.345 ambi=1 { CA:56.478 } ::sumAvg: 4.46 atom: 576 52F-HB2 B 2.866 ambi=1 { CB:40.52 } atom: 580 52F-QE E 7.314 ambi=3 { CE1:131.523 } :: atom: 577 52F-HB3 B 3.009 ambi=1 { CB:40.52 } atom: 580 52F-QE E 7.314 ambi=3 { CE1:131.523 } ::sumAvg: 4.41 atom: 577 52F-HB3 B 3.009 ambi=1 { CB:40.52 } atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } ::sumAvg: 4.405 atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } atom: 577 52F-HB3 B 3.009 ambi=1 { CB:40.52 } ::sumAvg: 4.405 atom: 577 52F-HB3 B 3.009 ambi=1 { CB:40.52 } atom: 593 53V-HG1 G1 0.591 ambi=2 { CG1:21.796 } :: atom: 577 52F-HB3 B 3.009 ambi=1 { CB:40.52 } atom: 594 53V-HG2 G2 0.46 ambi=2 { CG2:20.23 } ::sumAvg: 4.895 atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } atom: 590 53V-H N 8.865 ambi=1 { N:118.244 } ::sumAvg: 2.955 atom: 592 53V-HB B 1.793 ambi=1 { CB:35.707 } atom: 590 53V-H N 8.865 ambi=1 { N:118.244 } ::sumAvg: 3.91 atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } atom: 592 53V-HB B 1.793 ambi=1 { CB:35.707 } ::sumAvg: 2.41 atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } atom: 593 53V-HG1 G1 0.591 ambi=2 { CG1:21.796 } :: atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } atom: 594 53V-HG2 G2 0.46 ambi=2 { CG2:20.23 } ::sumAvg: 2.48 atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } atom: 601 54K-H N 8.335 ambi=1 { N:120.334 } ::sumAvg: 2.305 atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } atom: 603 54K-HB2 B 1.78 ambi=2 { CB:33.974 } :: atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } atom: 604 54K-HB3 B 1.703 ambi=2 { CB:33.974 } ::sumAvg: 4.835 atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } atom: 618 55N-H N 7.235 ambi=1 { N:108.018 } ::sumAvg: 4.115 atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } atom: 647 58K-HB2 B 1.894 ambi=2 { CB:31.763 } :: atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } atom: 648 58K-HB3 B 1.961 ambi=2 { CB:31.763 } ::sumAvg: 4.835 atom: 647 58K-HB2 B 1.894 ambi=2 { CB:31.763 } atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } :: atom: 648 58K-HB3 B 1.961 ambi=2 { CB:31.763 } atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } ::sumAvg: 4.835 atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } atom: 649 58K-HG2 G 1.687 ambi=1 { CG:24.459 } :: atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } atom: 650 58K-HG3 G 1.446 ambi=1 { CG:24.459 } ::sumAvg: 3.215 atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } atom: 653 58K-HE2 E 2.942 ambi=2 { CE:41.883 } :: atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } atom: 654 58K-HE3 E 2.892 ambi=2 { CE:41.883 } ::sumAvg: 4.535 atom: 653 58K-HE2 E 2.942 ambi=2 { CE:41.883 } atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } :: atom: 654 58K-HE3 E 2.892 ambi=2 { CE:41.883 } atom: 591 53V-HA A 4.663 ambi=1 { CA:58.881 } ::sumAvg: 4.535 atom: 592 53V-HB B 1.793 ambi=1 { CB:35.707 } atom: 602 54K-HA A 4.324 ambi=1 { CA:58.039 } ::sumAvg: 4.93 atom: 592 53V-HB B 1.793 ambi=1 { CB:35.707 } atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } ::sumAvg: 4.675 atom: 592 53V-HB B 1.793 ambi=1 { CB:35.707 } atom: 653 58K-HE2 E 2.942 ambi=2 { CE:41.883 } :: atom: 592 53V-HB B 1.793 ambi=1 { CB:35.707 } atom: 654 58K-HE3 E 2.892 ambi=2 { CE:41.883 } ::sumAvg: 4.65 atom: 653 58K-HE2 E 2.942 ambi=2 { CE:41.883 } atom: 592 53V-HB B 1.793 ambi=1 { CB:35.707 } :: atom: 654 58K-HE3 E 2.892 ambi=2 { CE:41.883 } atom: 592 53V-HB B 1.793 ambi=1 { CB:35.707 } ::sumAvg: 4.65 atom: 592 53V-HB B 1.793 ambi=1 { CB:35.707 } atom: 664 59L-HA A 3.907 ambi=1 { CA:57.979 } ::sumAvg: 4.55 atom: 664 59L-HA A 3.907 ambi=1 { CA:57.979 } atom: 592 53V-HB B 1.793 ambi=1 { CB:35.707 } ::sumAvg: 4.55 atom: 592 53V-HB B 1.793 ambi=1 { CB:35.707 } atom: 665 59L-HB2 B 2.233 ambi=2 { CB:41.727 } ::sumAvg: 3.955 atom: 665 59L-HB2 B 2.233 ambi=2 { CB:41.727 } atom: 592 53V-HB B 1.793 ambi=1 { CB:35.707 } ::sumAvg: 3.955 atom: 602 54K-HA A 4.324 ambi=1 { CA:58.039 } atom: 593 53V-HG1 G1 0.591 ambi=2 { CG1:21.796 } :: atom: 602 54K-HA A 4.324 ambi=1 { CA:58.039 } atom: 594 53V-HG2 G2 0.46 ambi=2 { CG2:20.23 } ::sumAvg: 4.15 atom: 593 53V-HG1 G1 0.591 ambi=2 { CG1:21.796 } atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } :: atom: 594 53V-HG2 G2 0.46 ambi=2 { CG2:20.23 } atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } ::sumAvg: 3.76 atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } atom: 593 53V-HG1 G1 0.591 ambi=2 { CG1:21.796 } :: atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } atom: 594 53V-HG2 G2 0.46 ambi=2 { CG2:20.23 } ::sumAvg: 3.76 atom: 593 53V-HG1 G1 0.591 ambi=2 { CG1:21.796 } atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } :: atom: 594 53V-HG2 G2 0.46 ambi=2 { CG2:20.23 } atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } ::sumAvg: 4.725 atom: 593 53V-HG1 G1 0.591 ambi=2 { CG1:21.796 } atom: 647 58K-HB2 B 1.894 ambi=2 { CB:31.763 } :: atom: 593 53V-HG1 G1 0.591 ambi=2 { CG1:21.796 } atom: 648 58K-HB3 B 1.961 ambi=2 { CB:31.763 } :: atom: 594 53V-HG2 G2 0.46 ambi=2 { CG2:20.23 } atom: 647 58K-HB2 B 1.894 ambi=2 { CB:31.763 } :: atom: 594 53V-HG2 G2 0.46 ambi=2 { CG2:20.23 } atom: 648 58K-HB3 B 1.961 ambi=2 { CB:31.763 } ::sumAvg: 3.935 atom: 653 58K-HE2 E 2.942 ambi=2 { CE:41.883 } atom: 593 53V-HG1 G1 0.591 ambi=2 { CG1:21.796 } :: atom: 654 58K-HE3 E 2.892 ambi=2 { CE:41.883 } atom: 593 53V-HG1 G1 0.591 ambi=2 { CG1:21.796 } :: atom: 653 58K-HE2 E 2.942 ambi=2 { CE:41.883 } atom: 594 53V-HG2 G2 0.46 ambi=2 { CG2:20.23 } :: atom: 654 58K-HE3 E 2.892 ambi=2 { CE:41.883 } atom: 594 53V-HG2 G2 0.46 ambi=2 { CG2:20.23 } ::sumAvg: 3.66 atom: 593 53V-HG1 G1 0.591 ambi=2 { CG1:21.796 } atom: 663 59L-H N 7.302 ambi=1 { N:118.583 } :: atom: 594 53V-HG2 G2 0.46 ambi=2 { CG2:20.23 } atom: 663 59L-H N 7.302 ambi=1 { N:118.583 } ::sumAvg: 3.34 atom: 593 53V-HG1 G1 0.591 ambi=2 { CG1:21.796 } atom: 667 59L-HG G 1.653 ambi=1 { CG:26.993 } :: atom: 594 53V-HG2 G2 0.46 ambi=2 { CG2:20.23 } atom: 667 59L-HG G 1.653 ambi=1 { CG:26.993 } ::sumAvg: 4.82 atom: 699 62L-HG G 1.328 ambi=1 { CG:25.773 } atom: 593 53V-HG1 G1 0.591 ambi=2 { CG1:21.796 } :: atom: 699 62L-HG G 1.328 ambi=1 { CG:25.773 } atom: 594 53V-HG2 G2 0.46 ambi=2 { CG2:20.23 } ::sumAvg: 4.245 atom: 647 58K-HB2 B 1.894 ambi=2 { CB:31.763 } atom: 601 54K-H N 8.335 ambi=1 { N:120.334 } :: atom: 648 58K-HB3 B 1.961 ambi=2 { CB:31.763 } atom: 601 54K-H N 8.335 ambi=1 { N:120.334 } ::sumAvg: 4.095 atom: 602 54K-HA A 4.324 ambi=1 { CA:58.039 } atom: 609 54K-QE E 3.011 ambi=2 { CE:41.756 } ::sumAvg: 4.625 atom: 602 54K-HA A 4.324 ambi=1 { CA:58.039 } atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } ::sumAvg: 4.575 atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } atom: 602 54K-HA A 4.324 ambi=1 { CA:58.039 } ::sumAvg: 4.575 atom: 609 54K-QE E 3.011 ambi=2 { CE:41.756 } atom: 605 54K-HG2 G 1.531 ambi=2 { CG:24.844 } :: atom: 609 54K-QE E 3.011 ambi=2 { CE:41.756 } atom: 606 54K-HG3 G 1.468 ambi=2 { CG:24.844 } ::sumAvg: 2.645 atom: 607 54K-QD D 1.686 ambi=2 { CD:29.076 } atom: 618 55N-H N 7.235 ambi=1 { N:108.018 } ::sumAvg: 4.955 atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } atom: 618 55N-H N 7.235 ambi=1 { N:108.018 } ::sumAvg: 2.89 atom: 630 56T-HA A 4.036 ambi=1 { CA:65.8 } atom: 618 55N-H N 7.235 ambi=1 { N:108.018 } ::sumAvg: 4.96 atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } atom: 620 55N-HB2 B 3.355 ambi=2 { CB:39.333 } :: atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } atom: 621 55N-HB3 B 3.247 ambi=2 { CB:39.333 } ::sumAvg: 2.43 atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } atom: 622 55N-HD21 D2 6.981 ambi=2 { ND2:113.725 } :: atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } atom: 623 55N-HD22 D2 7.683 ambi=2 { ND2:113.725 } ::sumAvg: 4.23 atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } ::sumAvg: 2.46 atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } atom: 630 56T-HA A 4.036 ambi=1 { CA:65.8 } ::sumAvg: 4.34 atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } atom: 632 56T-HG2 G2 1.3 ambi=1 { CG2:22.509 } ::sumAvg: 4.46 atom: 632 56T-HG2 G2 1.3 ambi=1 { CG2:22.509 } atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } ::sumAvg: 4.46 atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } atom: 638 57D-H N 8.384 ambi=1 { N:124.402 } ::sumAvg: 4.415 atom: 619 55N-HA A 4.888 ambi=1 { CA:52.173 } atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } ::sumAvg: 4.99 atom: 620 55N-HB2 B 3.355 ambi=2 { CB:39.333 } atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } :: atom: 621 55N-HB3 B 3.247 ambi=2 { CB:39.333 } atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } ::sumAvg: 2.63 atom: 620 55N-HB2 B 3.355 ambi=2 { CB:39.333 } atom: 630 56T-HA A 4.036 ambi=1 { CA:65.8 } :: atom: 621 55N-HB3 B 3.247 ambi=2 { CB:39.333 } atom: 630 56T-HA A 4.036 ambi=1 { CA:65.8 } ::sumAvg: 4.925 atom: 630 56T-HA A 4.036 ambi=1 { CA:65.8 } atom: 620 55N-HB2 B 3.355 ambi=2 { CB:39.333 } :: atom: 630 56T-HA A 4.036 ambi=1 { CA:65.8 } atom: 621 55N-HB3 B 3.247 ambi=2 { CB:39.333 } ::sumAvg: 4.925 atom: 620 55N-HB2 B 3.355 ambi=2 { CB:39.333 } atom: 632 56T-HG2 G2 1.3 ambi=1 { CG2:22.509 } :: atom: 621 55N-HB3 B 3.247 ambi=2 { CB:39.333 } atom: 632 56T-HG2 G2 1.3 ambi=1 { CG2:22.509 } ::sumAvg: 4.84 atom: 620 55N-HB2 B 3.355 ambi=2 { CB:39.333 } atom: 638 57D-H N 8.384 ambi=1 { N:124.402 } :: atom: 621 55N-HB3 B 3.247 ambi=2 { CB:39.333 } atom: 638 57D-H N 8.384 ambi=1 { N:124.402 } ::sumAvg: 2.94 atom: 620 55N-HB2 B 3.355 ambi=2 { CB:39.333 } atom: 640 57D-QB B 2.673 ambi=2 { CB:39.938 } :: atom: 621 55N-HB3 B 3.247 ambi=2 { CB:39.333 } atom: 640 57D-QB B 2.673 ambi=2 { CB:39.938 } ::sumAvg: 3.765 atom: 640 57D-QB B 2.673 ambi=2 { CB:39.938 } atom: 620 55N-HB2 B 3.355 ambi=2 { CB:39.333 } :: atom: 640 57D-QB B 2.673 ambi=2 { CB:39.938 } atom: 621 55N-HB3 B 3.247 ambi=2 { CB:39.333 } ::sumAvg: 3.765 atom: 620 55N-HB2 B 3.355 ambi=2 { CB:39.333 } atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } :: atom: 621 55N-HB3 B 3.247 ambi=2 { CB:39.333 } atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } ::sumAvg: 4.11 atom: 647 58K-HB2 B 1.894 ambi=2 { CB:31.763 } atom: 622 55N-HD21 D2 6.981 ambi=2 { ND2:113.725 } :: atom: 648 58K-HB3 B 1.961 ambi=2 { CB:31.763 } atom: 622 55N-HD21 D2 6.981 ambi=2 { ND2:113.725 } :: atom: 647 58K-HB2 B 1.894 ambi=2 { CB:31.763 } atom: 623 55N-HD22 D2 7.683 ambi=2 { ND2:113.725 } :: atom: 648 58K-HB3 B 1.961 ambi=2 { CB:31.763 } atom: 623 55N-HD22 D2 7.683 ambi=2 { ND2:113.725 } ::sumAvg: 3.755 atom: 640 57D-QB B 2.673 ambi=2 { CB:39.938 } atom: 629 56T-H N 8.865 ambi=1 { N:113.338 } ::sumAvg: 4.72 atom: 630 56T-HA A 4.036 ambi=1 { CA:65.8 } atom: 632 56T-HG2 G2 1.3 ambi=1 { CG2:22.509 } ::sumAvg: 2.37 atom: 630 56T-HA A 4.036 ambi=1 { CA:65.8 } atom: 639 57D-HA A 4.467 ambi=1 { CA:57.4 } ::sumAvg: 4.845 atom: 639 57D-HA A 4.467 ambi=1 { CA:57.4 } atom: 630 56T-HA A 4.036 ambi=1 { CA:65.8 } ::sumAvg: 4.845 atom: 630 56T-HA A 4.036 ambi=1 { CA:65.8 } atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } ::sumAvg: 4.36 atom: 630 56T-HA A 4.036 ambi=1 { CA:65.8 } atom: 677 60T-H N 8.5 ambi=1 { N:115.462 } ::sumAvg: 4.31 atom: 630 56T-HA A 4.036 ambi=1 { CA:65.8 } atom: 680 60T-HG2 G2 1.278 ambi=1 { CG2:21.907 } ::sumAvg: 4.505 atom: 631 56T-HB B 4.327 ambi=1 { CB:68.341 } atom: 665 59L-HB2 B 2.233 ambi=2 { CB:41.727 } :: atom: 631 56T-HB B 4.327 ambi=1 { CB:68.341 } atom: 666 59L-HB3 B 1.495 ambi=2 { CB:41.727 } ::sumAvg: 4.29 atom: 631 56T-HB B 4.327 ambi=1 { CB:68.341 } atom: 668 59L-HD1 D1 0.861 ambi=2 { CD1:23.382 } :: atom: 631 56T-HB B 4.327 ambi=1 { CB:68.341 } atom: 669 59L-HD2 D2 0.962 ambi=2 { CD2:25.509 } ::sumAvg: 4.43 atom: 632 56T-HG2 G2 1.3 ambi=1 { CG2:22.509 } atom: 668 59L-HD1 D1 0.861 ambi=2 { CD1:23.382 } ::sumAvg: 3.715 atom: 639 57D-HA A 4.467 ambi=1 { CA:57.4 } atom: 638 57D-H N 8.384 ambi=1 { N:124.402 } ::sumAvg: 2.83 atom: 647 58K-HB2 B 1.894 ambi=2 { CB:31.763 } atom: 638 57D-H N 8.384 ambi=1 { N:124.402 } :: atom: 648 58K-HB3 B 1.961 ambi=2 { CB:31.763 } atom: 638 57D-H N 8.384 ambi=1 { N:124.402 } ::sumAvg: 4.62 atom: 680 60T-HG2 G2 1.278 ambi=1 { CG2:21.907 } atom: 638 57D-H N 8.384 ambi=1 { N:124.402 } ::sumAvg: 4.705 atom: 639 57D-HA A 4.467 ambi=1 { CA:57.4 } atom: 640 57D-QB B 2.673 ambi=2 { CB:39.938 } ::sumAvg: 2.365 atom: 639 57D-HA A 4.467 ambi=1 { CA:57.4 } atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } ::sumAvg: 3.54 atom: 639 57D-HA A 4.467 ambi=1 { CA:57.4 } atom: 663 59L-H N 7.302 ambi=1 { N:118.583 } ::sumAvg: 4.365 atom: 639 57D-HA A 4.467 ambi=1 { CA:57.4 } atom: 677 60T-H N 8.5 ambi=1 { N:115.462 } ::sumAvg: 3.415 atom: 639 57D-HA A 4.467 ambi=1 { CA:57.4 } atom: 680 60T-HG2 G2 1.278 ambi=1 { CG2:21.907 } ::sumAvg: 3.225 atom: 680 60T-HG2 G2 1.278 ambi=1 { CG2:21.907 } atom: 639 57D-HA A 4.467 ambi=1 { CA:57.4 } ::sumAvg: 3.225 atom: 639 57D-HA A 4.467 ambi=1 { CA:57.4 } atom: 686 61T-H N 7.996 ambi=1 { N:117.698 } ::sumAvg: 4.18 atom: 647 58K-HB2 B 1.894 ambi=2 { CB:31.763 } atom: 640 57D-QB B 2.673 ambi=2 { CB:39.938 } :: atom: 648 58K-HB3 B 1.961 ambi=2 { CB:31.763 } atom: 640 57D-QB B 2.673 ambi=2 { CB:39.938 } ::sumAvg: 4.665 atom: 640 57D-QB B 2.673 ambi=2 { CB:39.938 } atom: 663 59L-H N 7.302 ambi=1 { N:118.583 } ::sumAvg: 4.75 atom: 665 59L-HB2 B 2.233 ambi=2 { CB:41.727 } atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } :: atom: 666 59L-HB3 B 1.495 ambi=2 { CB:41.727 } atom: 645 58K-H N 8.266 ambi=1 { N:120.194 } ::sumAvg: 4.865 atom: 646 58K-HA A 4.172 ambi=1 { CA:57.695 } atom: 653 58K-HE2 E 2.942 ambi=2 { CE:41.883 } :: atom: 646 58K-HA A 4.172 ambi=1 { CA:57.695 } atom: 654 58K-HE3 E 2.892 ambi=2 { CE:41.883 } ::sumAvg: 4.63 atom: 646 58K-HA A 4.172 ambi=1 { CA:57.695 } atom: 655 58K-HZ Z 7.065 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.975 atom: 646 58K-HA A 4.172 ambi=1 { CA:57.695 } atom: 677 60T-H N 8.5 ambi=1 { N:115.462 } ::sumAvg: 4.75 atom: 646 58K-HA A 4.172 ambi=1 { CA:57.695 } atom: 695 62L-H N 7.717 ambi=1 { N:122.534 } ::sumAvg: 4.83 atom: 699 62L-HG G 1.328 ambi=1 { CG:25.773 } atom: 646 58K-HA A 4.172 ambi=1 { CA:57.695 } ::sumAvg: 4.895 atom: 647 58K-HB2 B 1.894 ambi=2 { CB:31.763 } atom: 653 58K-HE2 E 2.942 ambi=2 { CE:41.883 } :: atom: 647 58K-HB2 B 1.894 ambi=2 { CB:31.763 } atom: 654 58K-HE3 E 2.892 ambi=2 { CE:41.883 } :: atom: 648 58K-HB3 B 1.961 ambi=2 { CB:31.763 } atom: 653 58K-HE2 E 2.942 ambi=2 { CE:41.883 } :: atom: 648 58K-HB3 B 1.961 ambi=2 { CB:31.763 } atom: 654 58K-HE3 E 2.892 ambi=2 { CE:41.883 } ::sumAvg: 4.3 atom: 647 58K-HB2 B 1.894 ambi=2 { CB:31.763 } atom: 655 58K-HZ Z 7.065 ambi=1 {attached_atom is not_assigned} :: atom: 648 58K-HB3 B 1.961 ambi=2 { CB:31.763 } atom: 655 58K-HZ Z 7.065 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.315 atom: 647 58K-HB2 B 1.894 ambi=2 { CB:31.763 } atom: 664 59L-HA A 3.907 ambi=1 { CA:57.979 } :: atom: 648 58K-HB3 B 1.961 ambi=2 { CB:31.763 } atom: 664 59L-HA A 3.907 ambi=1 { CA:57.979 } ::sumAvg: 4.93 atom: 664 59L-HA A 3.907 ambi=1 { CA:57.979 } atom: 647 58K-HB2 B 1.894 ambi=2 { CB:31.763 } :: atom: 664 59L-HA A 3.907 ambi=1 { CA:57.979 } atom: 648 58K-HB3 B 1.961 ambi=2 { CB:31.763 } ::sumAvg: 4.93 atom: 648 58K-HB3 B 1.961 ambi=2 { CB:31.763 } atom: 666 59L-HB3 B 1.495 ambi=2 { CB:41.727 } ::sumAvg: 4.985 atom: 666 59L-HB3 B 1.495 ambi=2 { CB:41.727 } atom: 648 58K-HB3 B 1.961 ambi=2 { CB:31.763 } ::sumAvg: 4.985 atom: 649 58K-HG2 G 1.687 ambi=1 { CG:24.459 } atom: 663 59L-H N 7.302 ambi=1 { N:118.583 } :: atom: 650 58K-HG3 G 1.446 ambi=1 { CG:24.459 } atom: 663 59L-H N 7.302 ambi=1 { N:118.583 } ::sumAvg: 3.485 atom: 650 58K-HG3 G 1.446 ambi=1 { CG:24.459 } atom: 664 59L-HA A 3.907 ambi=1 { CA:57.979 } ::sumAvg: 3.545 atom: 650 58K-HG3 G 1.446 ambi=1 { CG:24.459 } atom: 665 59L-HB2 B 2.233 ambi=2 { CB:41.727 } ::sumAvg: 4.53 atom: 650 58K-HG3 G 1.446 ambi=1 { CG:24.459 } atom: 668 59L-HD1 D1 0.861 ambi=2 { CD1:23.382 } :: atom: 650 58K-HG3 G 1.446 ambi=1 { CG:24.459 } atom: 669 59L-HD2 D2 0.962 ambi=2 { CD2:25.509 } ::sumAvg: 4.87 atom: 653 58K-HE2 E 2.942 ambi=2 { CE:41.883 } atom: 651 58K-QD D 1.751 ambi=2 { CD:28.223 } :: atom: 654 58K-HE3 E 2.892 ambi=2 { CE:41.883 } atom: 651 58K-QD D 1.751 ambi=2 { CD:28.223 } ::sumAvg: 2.26 atom: 651 58K-QD D 1.751 ambi=2 { CD:28.223 } atom: 664 59L-HA A 3.907 ambi=1 { CA:57.979 } ::sumAvg: 4.875 atom: 664 59L-HA A 3.907 ambi=1 { CA:57.979 } atom: 651 58K-QD D 1.751 ambi=2 { CD:28.223 } ::sumAvg: 4.875 atom: 651 58K-QD D 1.751 ambi=2 { CD:28.223 } atom: 689 61T-HG2 G2 1.312 ambi=1 { CG2:21.778 } ::sumAvg: 4.325 atom: 689 61T-HG2 G2 1.312 ambi=1 { CG2:21.778 } atom: 651 58K-QD D 1.751 ambi=2 { CD:28.223 } ::sumAvg: 4.325 atom: 651 58K-QD D 1.751 ambi=2 { CD:28.223 } atom: 699 62L-HG G 1.328 ambi=1 { CG:25.773 } ::sumAvg: 3.82 atom: 699 62L-HG G 1.328 ambi=1 { CG:25.773 } atom: 651 58K-QD D 1.751 ambi=2 { CD:28.223 } ::sumAvg: 3.82 atom: 699 62L-HG G 1.328 ambi=1 { CG:25.773 } atom: 653 58K-HE2 E 2.942 ambi=2 { CE:41.883 } :: atom: 699 62L-HG G 1.328 ambi=1 { CG:25.773 } atom: 654 58K-HE3 E 2.892 ambi=2 { CE:41.883 } ::sumAvg: 4.015 atom: 699 62L-HG G 1.328 ambi=1 { CG:25.773 } atom: 655 58K-HZ Z 7.065 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.67 atom: 680 60T-HG2 G2 1.278 ambi=1 { CG2:21.907 } atom: 663 59L-H N 7.302 ambi=1 { N:118.583 } ::sumAvg: 4.31 atom: 664 59L-HA A 3.907 ambi=1 { CA:57.979 } atom: 686 61T-H N 7.996 ambi=1 { N:117.698 } ::sumAvg: 4.345 atom: 664 59L-HA A 3.907 ambi=1 { CA:57.979 } atom: 714 63M-HG3 G 1.982 ambi=1 { CG:32.723 } ::sumAvg: 4.895 atom: 714 63M-HG3 G 1.982 ambi=1 { CG:32.723 } atom: 664 59L-HA A 3.907 ambi=1 { CA:57.979 } ::sumAvg: 4.895 atom: 664 59L-HA A 3.907 ambi=1 { CA:57.979 } atom: 715 63M-HE E 2.024 ambi=1 { CE:16.436 } ::sumAvg: 4.705 atom: 715 63M-HE E 2.024 ambi=1 { CE:16.436 } atom: 664 59L-HA A 3.907 ambi=1 { CA:57.979 } ::sumAvg: 4.705 atom: 665 59L-HB2 B 2.233 ambi=2 { CB:41.727 } atom: 678 60T-HA A 3.845 ambi=1 { CA:66.691 } :: atom: 666 59L-HB3 B 1.495 ambi=2 { CB:41.727 } atom: 678 60T-HA A 3.845 ambi=1 { CA:66.691 } ::sumAvg: 4.43 atom: 665 59L-HB2 B 2.233 ambi=2 { CB:41.727 } atom: 686 61T-H N 7.996 ambi=1 { N:117.698 } :: atom: 666 59L-HB3 B 1.495 ambi=2 { CB:41.727 } atom: 686 61T-H N 7.996 ambi=1 { N:117.698 } ::sumAvg: 4.915 atom: 665 59L-HB2 B 2.233 ambi=2 { CB:41.727 } atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } :: atom: 665 59L-HB2 B 2.233 ambi=2 { CB:41.727 } atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } :: atom: 666 59L-HB3 B 1.495 ambi=2 { CB:41.727 } atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } :: atom: 666 59L-HB3 B 1.495 ambi=2 { CB:41.727 } atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } ::sumAvg: 4.675 atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } atom: 665 59L-HB2 B 2.233 ambi=2 { CB:41.727 } :: atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } atom: 665 59L-HB2 B 2.233 ambi=2 { CB:41.727 } :: atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } atom: 666 59L-HB3 B 1.495 ambi=2 { CB:41.727 } :: atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } atom: 666 59L-HB3 B 1.495 ambi=2 { CB:41.727 } ::sumAvg: 4.675 atom: 666 59L-HB3 B 1.495 ambi=2 { CB:41.727 } atom: 715 63M-HE E 2.024 ambi=1 { CE:16.436 } ::sumAvg: 3.975 atom: 715 63M-HE E 2.024 ambi=1 { CE:16.436 } atom: 666 59L-HB3 B 1.495 ambi=2 { CB:41.727 } ::sumAvg: 3.975 atom: 665 59L-HB2 B 2.233 ambi=2 { CB:41.727 } atom: 889 77R-QD D 3.224 ambi=2 { CD:43.565 } :: atom: 666 59L-HB3 B 1.495 ambi=2 { CB:41.727 } atom: 889 77R-QD D 3.224 ambi=2 { CD:43.565 } ::sumAvg: 4.685 atom: 889 77R-QD D 3.224 ambi=2 { CD:43.565 } atom: 665 59L-HB2 B 2.233 ambi=2 { CB:41.727 } :: atom: 889 77R-QD D 3.224 ambi=2 { CD:43.565 } atom: 666 59L-HB3 B 1.495 ambi=2 { CB:41.727 } ::sumAvg: 4.685 atom: 713 63M-HG2 G 2.829 ambi=1 { CG:32.723 } atom: 667 59L-HG G 1.653 ambi=1 { CG:26.993 } ::sumAvg: 4.735 atom: 667 59L-HG G 1.653 ambi=1 { CG:26.993 } atom: 889 77R-QD D 3.224 ambi=2 { CD:43.565 } ::sumAvg: 3.9 atom: 889 77R-QD D 3.224 ambi=2 { CD:43.565 } atom: 667 59L-HG G 1.653 ambi=1 { CG:26.993 } ::sumAvg: 3.9 atom: 678 60T-HA A 3.845 ambi=1 { CA:66.691 } atom: 668 59L-HD1 D1 0.861 ambi=2 { CD1:23.382 } :: atom: 678 60T-HA A 3.845 ambi=1 { CA:66.691 } atom: 669 59L-HD2 D2 0.962 ambi=2 { CD2:25.509 } ::sumAvg: 4.515 atom: 680 60T-HG2 G2 1.278 ambi=1 { CG2:21.907 } atom: 668 59L-HD1 D1 0.861 ambi=2 { CD1:23.382 } ::sumAvg: 4.38 atom: 699 62L-HG G 1.328 ambi=1 { CG:25.773 } atom: 668 59L-HD1 D1 0.861 ambi=2 { CD1:23.382 } ::sumAvg: 4.235 atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 668 59L-HD1 D1 0.861 ambi=2 { CD1:23.382 } :: atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 669 59L-HD2 D2 0.962 ambi=2 { CD2:25.509 } ::sumAvg: 3.93 atom: 679 60T-HB B 4.406 ambi=1 { CB:68.39 } atom: 677 60T-H N 8.5 ambi=1 { N:115.462 } ::sumAvg: 3.65 atom: 679 60T-HB B 4.406 ambi=1 { CB:68.39 } atom: 678 60T-HA A 3.845 ambi=1 { CA:66.691 } ::sumAvg: 2.47 atom: 713 63M-HG2 G 2.829 ambi=1 { CG:32.723 } atom: 678 60T-HA A 3.845 ambi=1 { CA:66.691 } :: atom: 714 63M-HG3 G 1.982 ambi=1 { CG:32.723 } atom: 678 60T-HA A 3.845 ambi=1 { CA:66.691 } ::sumAvg: 3.015 atom: 679 60T-HB B 4.406 ambi=1 { CB:68.39 } atom: 680 60T-HG2 G2 1.278 ambi=1 { CG2:21.907 } ::sumAvg: 2.13 atom: 679 60T-HB B 4.406 ambi=1 { CB:68.39 } atom: 686 61T-H N 7.996 ambi=1 { N:117.698 } ::sumAvg: 3.98 atom: 679 60T-HB B 4.406 ambi=1 { CB:68.39 } atom: 711 63M-HB2 B 2.275 ambi=2 { CB:33.024 } :: atom: 679 60T-HB B 4.406 ambi=1 { CB:68.39 } atom: 712 63M-HB3 B 1.97 ambi=2 { CB:33.024 } ::sumAvg: 4.53 atom: 711 63M-HB2 B 2.275 ambi=2 { CB:33.024 } atom: 679 60T-HB B 4.406 ambi=1 { CB:68.39 } :: atom: 712 63M-HB3 B 1.97 ambi=2 { CB:33.024 } atom: 679 60T-HB B 4.406 ambi=1 { CB:68.39 } ::sumAvg: 4.53 atom: 679 60T-HB B 4.406 ambi=1 { CB:68.39 } atom: 715 63M-HE E 2.024 ambi=1 { CE:16.436 } ::sumAvg: 4.115 atom: 711 63M-HB2 B 2.275 ambi=2 { CB:33.024 } atom: 680 60T-HG2 G2 1.278 ambi=1 { CG2:21.907 } :: atom: 712 63M-HB3 B 1.97 ambi=2 { CB:33.024 } atom: 680 60T-HG2 G2 1.278 ambi=1 { CG2:21.907 } ::sumAvg: 4.62 atom: 714 63M-HG3 G 1.982 ambi=1 { CG:32.723 } atom: 680 60T-HG2 G2 1.278 ambi=1 { CG2:21.907 } ::sumAvg: 4.56 atom: 699 62L-HG G 1.328 ambi=1 { CG:25.773 } atom: 686 61T-H N 7.996 ambi=1 { N:117.698 } ::sumAvg: 4.65 atom: 687 61T-HA A 4.053 ambi=1 { CA:66.42 } atom: 696 62L-HA A 3.542 ambi=1 { CA:57.988 } ::sumAvg: 4.815 atom: 696 62L-HA A 3.542 ambi=1 { CA:57.988 } atom: 687 61T-HA A 4.053 ambi=1 { CA:66.42 } ::sumAvg: 4.815 atom: 687 61T-HA A 4.053 ambi=1 { CA:66.42 } atom: 735 65K-HG3 G 1.505 ambi=1 { CG:25.487 } ::sumAvg: 4.545 atom: 735 65K-HG3 G 1.505 ambi=1 { CG:25.487 } atom: 687 61T-HA A 4.053 ambi=1 { CA:66.42 } ::sumAvg: 4.545 atom: 688 61T-HB B 4.307 ambi=1 { CB:68.549 } atom: 696 62L-HA A 3.542 ambi=1 { CA:57.988 } ::sumAvg: 4.38 atom: 699 62L-HG G 1.328 ambi=1 { CG:25.773 } atom: 688 61T-HB B 4.307 ambi=1 { CB:68.549 } ::sumAvg: 3.655 atom: 688 61T-HB B 4.307 ambi=1 { CB:68.549 } atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } :: atom: 688 61T-HB B 4.307 ambi=1 { CB:68.549 } atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } ::sumAvg: 3.81 atom: 689 61T-HG2 G2 1.312 ambi=1 { CG2:21.778 } atom: 736 65K-HD2 D 1.725 ambi=2 { CD:29.22 } ::sumAvg: 3.135 atom: 736 65K-HD2 D 1.725 ambi=2 { CD:29.22 } atom: 689 61T-HG2 G2 1.312 ambi=1 { CG2:21.778 } ::sumAvg: 3.135 atom: 696 62L-HA A 3.542 ambi=1 { CA:57.988 } atom: 738 65K-QE E 2.991 ambi=2 { CE:42.046 } ::sumAvg: 4.56 atom: 738 65K-QE E 2.991 ambi=2 { CE:42.046 } atom: 696 62L-HA A 3.542 ambi=1 { CA:57.988 } ::sumAvg: 4.56 atom: 696 62L-HA A 3.542 ambi=1 { CA:57.988 } atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } ::sumAvg: 4.19 atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } atom: 696 62L-HA A 3.542 ambi=1 { CA:57.988 } ::sumAvg: 4.19 atom: 696 62L-HA A 3.542 ambi=1 { CA:57.988 } atom: 752 66L-HD1 D1 0.864 ambi=2 { CD1:26.104 } :: atom: 696 62L-HA A 3.542 ambi=1 { CA:57.988 } atom: 753 66L-HD2 D2 0.87 ambi=2 { CD2:23.102 } ::sumAvg: 4.57 atom: 752 66L-HD1 D1 0.864 ambi=2 { CD1:26.104 } atom: 696 62L-HA A 3.542 ambi=1 { CA:57.988 } :: atom: 753 66L-HD2 D2 0.87 ambi=2 { CD2:23.102 } atom: 696 62L-HA A 3.542 ambi=1 { CA:57.988 } ::sumAvg: 4.57 atom: 697 62L-HB2 B 1.26 ambi=1 { CB:40.241 } atom: 710 63M-HA A 3.771 ambi=1 { CA:60.699 } :: atom: 698 62L-HB3 B 1.047 ambi=1 { CB:40.241 } atom: 710 63M-HA A 3.771 ambi=1 { CA:60.699 } ::sumAvg: 4.335 atom: 710 63M-HA A 3.771 ambi=1 { CA:60.699 } atom: 697 62L-HB2 B 1.26 ambi=1 { CB:40.241 } :: atom: 710 63M-HA A 3.771 ambi=1 { CA:60.699 } atom: 698 62L-HB3 B 1.047 ambi=1 { CB:40.241 } ::sumAvg: 4.335 atom: 697 62L-HB2 B 1.26 ambi=1 { CB:40.241 } atom: 713 63M-HG2 G 2.829 ambi=1 { CG:32.723 } :: atom: 697 62L-HB2 B 1.26 ambi=1 { CB:40.241 } atom: 714 63M-HG3 G 1.982 ambi=1 { CG:32.723 } ::sumAvg: 3.785 atom: 713 63M-HG2 G 2.829 ambi=1 { CG:32.723 } atom: 697 62L-HB2 B 1.26 ambi=1 { CB:40.241 } :: atom: 714 63M-HG3 G 1.982 ambi=1 { CG:32.723 } atom: 697 62L-HB2 B 1.26 ambi=1 { CB:40.241 } ::sumAvg: 3.785 atom: 698 62L-HB3 B 1.047 ambi=1 { CB:40.241 } atom: 732 65K-HB2 B 2.051 ambi=1 { CB:32.372 } ::sumAvg: 4.21 atom: 698 62L-HB3 B 1.047 ambi=1 { CB:40.241 } atom: 736 65K-HD2 D 1.725 ambi=2 { CD:29.22 } :: atom: 698 62L-HB3 B 1.047 ambi=1 { CB:40.241 } atom: 737 65K-HD3 D 1.628 ambi=2 { CD:29.22 } ::sumAvg: 4.525 atom: 698 62L-HB3 B 1.047 ambi=1 { CB:40.241 } atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } ::sumAvg: 3.88 atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } atom: 698 62L-HB3 B 1.047 ambi=1 { CB:40.241 } ::sumAvg: 3.88 atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } atom: 738 65K-QE E 2.991 ambi=2 { CE:42.046 } :: atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } atom: 738 65K-QE E 2.991 ambi=2 { CE:42.046 } ::sumAvg: 3.81 atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } atom: 700 62L-HD1 D1 0.335 ambi=2 { CD1:24.292 } :: atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } atom: 701 62L-HD2 D2 0.133 ambi=2 { CD2:22.72 } ::sumAvg: 4.885 atom: 710 63M-HA A 3.771 ambi=1 { CA:60.699 } atom: 715 63M-HE E 2.024 ambi=1 { CE:16.436 } ::sumAvg: 4.685 atom: 715 63M-HE E 2.024 ambi=1 { CE:16.436 } atom: 710 63M-HA A 3.771 ambi=1 { CA:60.699 } ::sumAvg: 4.685 atom: 710 63M-HA A 3.771 ambi=1 { CA:60.699 } atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } ::sumAvg: 4.845 atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } atom: 710 63M-HA A 3.771 ambi=1 { CA:60.699 } ::sumAvg: 4.845 atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } atom: 710 63M-HA A 3.771 ambi=1 { CA:60.699 } ::sumAvg: 3.87 atom: 710 63M-HA A 3.771 ambi=1 { CA:60.699 } atom: 761 67R-H N 8.017 ambi=1 { N:115.702 } ::sumAvg: 4.225 atom: 711 63M-HB2 B 2.275 ambi=2 { CB:33.024 } atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } :: atom: 712 63M-HB3 B 1.97 ambi=2 { CB:33.024 } atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } ::sumAvg: 4.365 atom: 724 64D-HB2 B 2.812 ambi=1 { CB:40.703 } atom: 711 63M-HB2 B 2.275 ambi=2 { CB:33.024 } :: atom: 724 64D-HB2 B 2.812 ambi=1 { CB:40.703 } atom: 712 63M-HB3 B 1.97 ambi=2 { CB:33.024 } ::sumAvg: 4.415 atom: 711 63M-HB2 B 2.275 ambi=2 { CB:33.024 } atom: 750 66L-HB3 B 1.266 ambi=2 { CB:43.218 } :: atom: 712 63M-HB3 B 1.97 ambi=2 { CB:33.024 } atom: 750 66L-HB3 B 1.266 ambi=2 { CB:43.218 } ::sumAvg: 4.775 atom: 711 63M-HB2 B 2.275 ambi=2 { CB:33.024 } atom: 767 67R-QD D 3.303 ambi=2 { CD:43.253 } :: atom: 712 63M-HB3 B 1.97 ambi=2 { CB:33.024 } atom: 767 67R-QD D 3.303 ambi=2 { CD:43.253 } ::sumAvg: 4.52 atom: 767 67R-QD D 3.303 ambi=2 { CD:43.253 } atom: 711 63M-HB2 B 2.275 ambi=2 { CB:33.024 } :: atom: 767 67R-QD D 3.303 ambi=2 { CD:43.253 } atom: 712 63M-HB3 B 1.97 ambi=2 { CB:33.024 } ::sumAvg: 4.52 atom: 711 63M-HB2 B 2.275 ambi=2 { CB:33.024 } atom: 769 67R-HE E 7.513 ambi=1 { NE:85.751 } :: atom: 712 63M-HB3 B 1.97 ambi=2 { CB:33.024 } atom: 769 67R-HE E 7.513 ambi=1 { NE:85.751 } ::sumAvg: 4.535 atom: 713 63M-HG2 G 2.829 ambi=1 { CG:32.723 } atom: 873 76E-HA A 4.861 ambi=1 { CA:53.757 } ::sumAvg: 4.985 atom: 873 76E-HA A 4.861 ambi=1 { CA:53.757 } atom: 713 63M-HG2 G 2.829 ambi=1 { CG:32.723 } ::sumAvg: 4.985 atom: 713 63M-HG2 G 2.829 ambi=1 { CG:32.723 } atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } ::sumAvg: 4.88 atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 713 63M-HG2 G 2.829 ambi=1 { CG:32.723 } ::sumAvg: 4.88 atom: 864 75V-HG1 G1 0.92 ambi=2 { CG1:22.169 } atom: 715 63M-HE E 2.024 ambi=1 { CE:16.436 } :: atom: 865 75V-HG2 G2 0.9 ambi=2 { CG2:22.497 } atom: 715 63M-HE E 2.024 ambi=1 { CE:16.436 } ::sumAvg: 4.33 atom: 873 76E-HA A 4.861 ambi=1 { CA:53.757 } atom: 715 63M-HE E 2.024 ambi=1 { CE:16.436 } ::sumAvg: 3.88 atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 715 63M-HE E 2.024 ambi=1 { CE:16.436 } ::sumAvg: 3.185 atom: 889 77R-QD D 3.224 ambi=2 { CD:43.565 } atom: 715 63M-HE E 2.024 ambi=1 { CE:16.436 } ::sumAvg: 3.27 atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } atom: 722 64D-H N 8.263 ambi=1 { N:118.611 } ::sumAvg: 2.805 atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } atom: 724 64D-HB2 B 2.812 ambi=1 { CB:40.703 } :: atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } atom: 725 64D-HB3 B 2.645 ambi=1 { CB:40.703 } ::sumAvg: 2.725 atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } atom: 730 65K-H N 7.755 ambi=1 { N:118.452 } ::sumAvg: 3.55 atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } atom: 731 65K-HA A 3.97 ambi=1 { CA:59.466 } ::sumAvg: 4.87 atom: 731 65K-HA A 3.97 ambi=1 { CA:59.466 } atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } ::sumAvg: 4.87 atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } atom: 747 66L-H N 7.768 ambi=1 { N:118.471 } ::sumAvg: 4.395 atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } atom: 763 67R-QB B 1.926 ambi=2 { CB:30.313 } ::sumAvg: 2.445 atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } atom: 765 67R-HG2 G 1.685 ambi=2 { CG:29.776 } :: atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } atom: 766 67R-HG3 G 1.838 ambi=2 { CG:29.776 } ::sumAvg: 3.935 atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } atom: 767 67R-QD D 3.303 ambi=2 { CD:43.253 } ::sumAvg: 3.18 atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } atom: 777 68K-H N 7.168 ambi=1 { N:115.213 } ::sumAvg: 4.905 atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } atom: 781 68K-HG2 G 1.638 ambi=2 { CG:25.468 } :: atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } atom: 782 68K-HG3 G 1.515 ambi=2 { CG:25.468 } ::sumAvg: 4.785 atom: 781 68K-HG2 G 1.638 ambi=2 { CG:25.468 } atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } :: atom: 782 68K-HG3 G 1.515 ambi=2 { CG:25.468 } atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } ::sumAvg: 4.785 atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } atom: 785 68K-QE E 2.987 ambi=2 { CE:42.056 } ::sumAvg: 4.945 atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } atom: 864 75V-HG1 G1 0.92 ambi=2 { CG1:22.169 } :: atom: 723 64D-HA A 4.401 ambi=1 { CA:57.4 } atom: 865 75V-HG2 G2 0.9 ambi=2 { CG2:22.497 } ::sumAvg: 4.885 atom: 725 64D-HB3 B 2.645 ambi=1 { CB:40.703 } atom: 731 65K-HA A 3.97 ambi=1 { CA:59.466 } ::sumAvg: 4.27 atom: 731 65K-HA A 3.97 ambi=1 { CA:59.466 } atom: 725 64D-HB3 B 2.645 ambi=1 { CB:40.703 } ::sumAvg: 4.27 atom: 763 67R-QB B 1.926 ambi=2 { CB:30.313 } atom: 724 64D-HB2 B 2.812 ambi=1 { CB:40.703 } ::sumAvg: 4.885 atom: 731 65K-HA A 3.97 ambi=1 { CA:59.466 } atom: 761 67R-H N 8.017 ambi=1 { N:115.702 } ::sumAvg: 4.45 atom: 737 65K-HD3 D 1.628 ambi=2 { CD:29.22 } atom: 732 65K-HB2 B 2.051 ambi=1 { CB:32.372 } ::sumAvg: 2.61 atom: 732 65K-HB2 B 2.051 ambi=1 { CB:32.372 } atom: 748 66L-HA A 4.066 ambi=1 { CA:57.55 } :: atom: 733 65K-HB3 B 1.876 ambi=1 { CB:32.372 } atom: 748 66L-HA A 4.066 ambi=1 { CA:57.55 } ::sumAvg: 4.485 atom: 750 66L-HB3 B 1.266 ambi=2 { CB:43.218 } atom: 732 65K-HB2 B 2.051 ambi=1 { CB:32.372 } ::sumAvg: 4.88 atom: 732 65K-HB2 B 2.051 ambi=1 { CB:32.372 } atom: 761 67R-H N 8.017 ambi=1 { N:115.702 } ::sumAvg: 4.97 atom: 748 66L-HA A 4.066 ambi=1 { CA:57.55 } atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } ::sumAvg: 3.035 atom: 748 66L-HA A 4.066 ambi=1 { CA:57.55 } atom: 761 67R-H N 8.017 ambi=1 { N:115.702 } ::sumAvg: 3.515 atom: 779 68K-HB2 B 2.071 ambi=1 { CB:32.725 } atom: 748 66L-HA A 4.066 ambi=1 { CA:57.55 } ::sumAvg: 4.7 atom: 864 75V-HG1 G1 0.92 ambi=2 { CG1:22.169 } atom: 748 66L-HA A 4.066 ambi=1 { CA:57.55 } :: atom: 865 75V-HG2 G2 0.9 ambi=2 { CG2:22.497 } atom: 748 66L-HA A 4.066 ambi=1 { CA:57.55 } ::sumAvg: 4.66 atom: 749 66L-HB2 B 2.204 ambi=2 { CB:43.218 } atom: 762 67R-HA A 3.855 ambi=1 { CA:58.584 } :: atom: 750 66L-HB3 B 1.266 ambi=2 { CB:43.218 } atom: 762 67R-HA A 3.855 ambi=1 { CA:58.584 } ::sumAvg: 4.375 atom: 763 67R-QB B 1.926 ambi=2 { CB:30.313 } atom: 750 66L-HB3 B 1.266 ambi=2 { CB:43.218 } ::sumAvg: 4.495 atom: 765 67R-HG2 G 1.685 ambi=2 { CG:29.776 } atom: 749 66L-HB2 B 2.204 ambi=2 { CB:43.218 } :: atom: 765 67R-HG2 G 1.685 ambi=2 { CG:29.776 } atom: 750 66L-HB3 B 1.266 ambi=2 { CB:43.218 } :: atom: 766 67R-HG3 G 1.838 ambi=2 { CG:29.776 } atom: 750 66L-HB3 B 1.266 ambi=2 { CB:43.218 } ::sumAvg: 4.905 atom: 749 66L-HB2 B 2.204 ambi=2 { CB:43.218 } atom: 777 68K-H N 7.168 ambi=1 { N:115.213 } :: atom: 750 66L-HB3 B 1.266 ambi=2 { CB:43.218 } atom: 777 68K-H N 7.168 ambi=1 { N:115.213 } ::sumAvg: 4.925 atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } atom: 749 66L-HB2 B 2.204 ambi=2 { CB:43.218 } :: atom: 829 72V-HG2 G2 0.913 ambi=2 { CG2:23.933 } atom: 749 66L-HB2 B 2.204 ambi=2 { CB:43.218 } :: atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } atom: 750 66L-HB3 B 1.266 ambi=2 { CB:43.218 } ::sumAvg: 4.105 atom: 863 75V-HB B 1.925 ambi=1 { CB:34.5 } atom: 750 66L-HB3 B 1.266 ambi=2 { CB:43.218 } ::sumAvg: 4.655 atom: 751 66L-HG G 1.968 ambi=1 { CG:26.979 } atom: 761 67R-H N 8.017 ambi=1 { N:115.702 } ::sumAvg: 4.45 atom: 863 75V-HB B 1.925 ambi=1 { CB:34.5 } atom: 761 67R-H N 8.017 ambi=1 { N:115.702 } ::sumAvg: 4.78 atom: 762 67R-HA A 3.855 ambi=1 { CA:58.584 } atom: 769 67R-HE E 7.513 ambi=1 { NE:85.751 } ::sumAvg: 4.725 atom: 762 67R-HA A 3.855 ambi=1 { CA:58.584 } atom: 796 69V-HB B 2.272 ambi=1 { CB:31.075 } ::sumAvg: 4.745 atom: 796 69V-HB B 2.272 ambi=1 { CB:31.075 } atom: 762 67R-HA A 3.855 ambi=1 { CA:58.584 } ::sumAvg: 4.745 atom: 827 72V-HB B 2.352 ambi=1 { CB:32.003 } atom: 762 67R-HA A 3.855 ambi=1 { CA:58.584 } ::sumAvg: 3.755 atom: 863 75V-HB B 1.925 ambi=1 { CB:34.5 } atom: 762 67R-HA A 3.855 ambi=1 { CA:58.584 } ::sumAvg: 4.405 atom: 763 67R-QB B 1.926 ambi=2 { CB:30.313 } atom: 769 67R-HE E 7.513 ambi=1 { NE:85.751 } ::sumAvg: 3.225 atom: 778 68K-HA A 4.198 ambi=1 { CA:56.149 } atom: 763 67R-QB B 1.926 ambi=2 { CB:30.313 } ::sumAvg: 4.21 atom: 782 68K-HG3 G 1.515 ambi=2 { CG:25.468 } atom: 763 67R-QB B 1.926 ambi=2 { CB:30.313 } ::sumAvg: 4.16 atom: 785 68K-QE E 2.987 ambi=2 { CE:42.056 } atom: 763 67R-QB B 1.926 ambi=2 { CB:30.313 } ::sumAvg: 4.835 atom: 763 67R-QB B 1.926 ambi=2 { CB:30.313 } atom: 794 69V-H N 7.348 ambi=1 { N:123.611 } ::sumAvg: 4.685 atom: 765 67R-HG2 G 1.685 ambi=2 { CG:29.776 } atom: 769 67R-HE E 7.513 ambi=1 { NE:85.751 } :: atom: 766 67R-HG3 G 1.838 ambi=2 { CG:29.776 } atom: 769 67R-HE E 7.513 ambi=1 { NE:85.751 } ::sumAvg: 2.855 atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } atom: 765 67R-HG2 G 1.685 ambi=2 { CG:29.776 } :: atom: 829 72V-HG2 G2 0.913 ambi=2 { CG2:23.933 } atom: 765 67R-HG2 G 1.685 ambi=2 { CG:29.776 } :: atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } atom: 766 67R-HG3 G 1.838 ambi=2 { CG:29.776 } :: atom: 829 72V-HG2 G2 0.913 ambi=2 { CG2:23.933 } atom: 766 67R-HG3 G 1.838 ambi=2 { CG:29.776 } ::sumAvg: 4.44 atom: 765 67R-HG2 G 1.685 ambi=2 { CG:29.776 } atom: 861 75V-H N 8.584 ambi=1 { N:122.82 } :: atom: 766 67R-HG3 G 1.838 ambi=2 { CG:29.776 } atom: 861 75V-H N 8.584 ambi=1 { N:122.82 } ::sumAvg: 4.505 atom: 863 75V-HB B 1.925 ambi=1 { CB:34.5 } atom: 767 67R-QD D 3.303 ambi=2 { CD:43.253 } ::sumAvg: 3.81 atom: 864 75V-HG1 G1 0.92 ambi=2 { CG1:22.169 } atom: 777 68K-H N 7.168 ambi=1 { N:115.213 } :: atom: 865 75V-HG2 G2 0.9 ambi=2 { CG2:22.497 } atom: 777 68K-H N 7.168 ambi=1 { N:115.213 } ::sumAvg: 4.865 atom: 778 68K-HA A 4.198 ambi=1 { CA:56.149 } atom: 785 68K-QE E 2.987 ambi=2 { CE:42.056 } ::sumAvg: 4.005 atom: 795 69V-HA A 3.776 ambi=1 { CA:63.134 } atom: 778 68K-HA A 4.198 ambi=1 { CA:56.149 } ::sumAvg: 4.715 atom: 797 69V-HG1 G1 0.854 ambi=2 { CG1:21.295 } atom: 778 68K-HA A 4.198 ambi=1 { CA:56.149 } :: atom: 798 69V-HG2 G2 1.069 ambi=2 { CG2:22.03 } atom: 778 68K-HA A 4.198 ambi=1 { CA:56.149 } ::sumAvg: 4.76 atom: 783 68K-HD2 D 1.636 ambi=2 { CD:28.808 } atom: 779 68K-HB2 B 2.071 ambi=1 { CB:32.725 } ::sumAvg: 3.705 atom: 827 72V-HB B 2.352 ambi=1 { CB:32.003 } atom: 794 69V-H N 7.348 ambi=1 { N:123.611 } ::sumAvg: 4.185 atom: 795 69V-HA A 3.776 ambi=1 { CA:63.134 } atom: 819 71G-H N 8.783 ambi=1 { N:113.801 } ::sumAvg: 4.05 atom: 796 69V-HB B 2.272 ambi=1 { CB:31.075 } atom: 819 71G-H N 8.783 ambi=1 { N:113.801 } ::sumAvg: 4.07 atom: 796 69V-HB B 2.272 ambi=1 { CB:31.075 } atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } :: atom: 796 69V-HB B 2.272 ambi=1 { CB:31.075 } atom: 829 72V-HG2 G2 0.913 ambi=2 { CG2:23.933 } ::sumAvg: 2.41 atom: 797 69V-HG1 G1 0.854 ambi=2 { CG1:21.295 } atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } :: atom: 797 69V-HG1 G1 0.854 ambi=2 { CG1:21.295 } atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } :: atom: 798 69V-HG2 G2 1.069 ambi=2 { CG2:22.03 } atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } :: atom: 798 69V-HG2 G2 1.069 ambi=2 { CG2:22.03 } atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } ::sumAvg: 3.325 atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 797 69V-HG1 G1 0.854 ambi=2 { CG1:21.295 } :: atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } atom: 797 69V-HG1 G1 0.854 ambi=2 { CG1:21.295 } :: atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 798 69V-HG2 G2 1.069 ambi=2 { CG2:22.03 } :: atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } atom: 798 69V-HG2 G2 1.069 ambi=2 { CG2:22.03 } ::sumAvg: 3.325 atom: 826 72V-HA A 3.723 ambi=1 { CA:64.02 } atom: 797 69V-HG1 G1 0.854 ambi=2 { CG1:21.295 } :: atom: 826 72V-HA A 3.723 ambi=1 { CA:64.02 } atom: 798 69V-HG2 G2 1.069 ambi=2 { CG2:22.03 } ::sumAvg: 4.61 atom: 797 69V-HG1 G1 0.854 ambi=2 { CG1:21.295 } atom: 827 72V-HB B 2.352 ambi=1 { CB:32.003 } :: atom: 798 69V-HG2 G2 1.069 ambi=2 { CG2:22.03 } atom: 827 72V-HB B 2.352 ambi=1 { CB:32.003 } ::sumAvg: 3.865 atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 806 70Q-HA A 4.072 ambi=1 { CA:57.8 } ::sumAvg: 4.745 atom: 807 70Q-QB B 2.073 ambi=2 { CB:28.1 } atom: 811 70Q-HE21 E2 7.624 ambi=2 { NE2:112.683 } :: atom: 807 70Q-QB B 2.073 ambi=2 { CB:28.1 } atom: 812 70Q-HE22 E2 6.918 ambi=2 { NE2:112.683 } ::sumAvg: 3.385 atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 807 70Q-QB B 2.073 ambi=2 { CB:28.1 } :: atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } atom: 807 70Q-QB B 2.073 ambi=2 { CB:28.1 } ::sumAvg: 4.36 atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 809 70Q-QG G 2.449 ambi=2 { CG:33.839 } :: atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } atom: 809 70Q-QG G 2.449 ambi=2 { CG:33.839 } ::sumAvg: 3.835 atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 819 71G-H N 8.783 ambi=1 { N:113.801 } :: atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } atom: 819 71G-H N 8.783 ambi=1 { N:113.801 } ::sumAvg: 2.335 atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } :: atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } ::sumAvg: 1.8 atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } :: atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } ::sumAvg: 1.8 atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 825 72V-H N 7.805 ambi=1 { N:120.334 } :: atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } atom: 825 72V-H N 7.805 ambi=1 { N:120.334 } ::sumAvg: 3.225 atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 826 72V-HA A 3.723 ambi=1 { CA:64.02 } ::sumAvg: 4.44 atom: 826 72V-HA A 3.723 ambi=1 { CA:64.02 } atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } ::sumAvg: 4.44 atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } :: atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 829 72V-HG2 G2 0.913 ambi=2 { CG2:23.933 } :: atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } :: atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } atom: 829 72V-HG2 G2 0.913 ambi=2 { CG2:23.933 } ::sumAvg: 3.93 atom: 820 71G-HA2 A 4.598 ambi=2 { CA:44.941 } atom: 840 73F-QD D 7.064 ambi=3 { CD1:130.48 } :: atom: 821 71G-HA3 A 3.677 ambi=2 { CA:44.941 } atom: 840 73F-QD D 7.064 ambi=3 { CD1:130.48 } ::sumAvg: 4.66 atom: 826 72V-HA A 3.723 ambi=1 { CA:64.02 } atom: 837 73F-HA A 5.109 ambi=1 { CA:56.354 } ::sumAvg: 4.41 atom: 837 73F-HA A 5.109 ambi=1 { CA:56.354 } atom: 826 72V-HA A 3.723 ambi=1 { CA:64.02 } ::sumAvg: 4.41 atom: 826 72V-HA A 3.723 ambi=1 { CA:64.02 } atom: 840 73F-QD D 7.064 ambi=3 { CD1:130.48 } ::sumAvg: 3.8 atom: 826 72V-HA A 3.723 ambi=1 { CA:64.02 } atom: 842 73F-QE E 7.266 ambi=3 { CE1:131.332 } ::sumAvg: 4.425 atom: 827 72V-HB B 2.352 ambi=1 { CB:32.003 } atom: 836 73F-H N 9.522 ambi=1 { N:127.542 } ::sumAvg: 4.09 atom: 837 73F-HA A 5.109 ambi=1 { CA:56.354 } atom: 827 72V-HB B 2.352 ambi=1 { CB:32.003 } ::sumAvg: 4.745 atom: 827 72V-HB B 2.352 ambi=1 { CB:32.003 } atom: 852 74T-H N 7.972 ambi=1 { N:111.809 } ::sumAvg: 4.755 atom: 864 75V-HG1 G1 0.92 ambi=2 { CG1:22.169 } atom: 827 72V-HB B 2.352 ambi=1 { CB:32.003 } :: atom: 865 75V-HG2 G2 0.9 ambi=2 { CG2:22.497 } atom: 827 72V-HB B 2.352 ambi=1 { CB:32.003 } ::sumAvg: 3.53 atom: 837 73F-HA A 5.109 ambi=1 { CA:56.354 } atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } :: atom: 837 73F-HA A 5.109 ambi=1 { CA:56.354 } atom: 829 72V-HG2 G2 0.913 ambi=2 { CG2:23.933 } ::sumAvg: 3.58 atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } atom: 840 73F-QD D 7.064 ambi=3 { CD1:130.48 } :: atom: 829 72V-HG2 G2 0.913 ambi=2 { CG2:23.933 } atom: 840 73F-QD D 7.064 ambi=3 { CD1:130.48 } ::sumAvg: 4.515 atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } :: atom: 829 72V-HG2 G2 0.913 ambi=2 { CG2:23.933 } atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } ::sumAvg: 3.96 atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } :: atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } atom: 829 72V-HG2 G2 0.913 ambi=2 { CG2:23.933 } ::sumAvg: 3.96 atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } atom: 828 72V-HG1 G1 0.784 ambi=2 { CG1:22.767 } :: atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } atom: 829 72V-HG2 G2 0.913 ambi=2 { CG2:23.933 } ::sumAvg: 3.89 atom: 837 73F-HA A 5.109 ambi=1 { CA:56.354 } atom: 836 73F-H N 9.522 ambi=1 { N:127.542 } ::sumAvg: 2.945 atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } atom: 836 73F-H N 9.522 ambi=1 { N:127.542 } ::sumAvg: 4.79 atom: 864 75V-HG1 G1 0.92 ambi=2 { CG1:22.169 } atom: 836 73F-H N 9.522 ambi=1 { N:127.542 } :: atom: 865 75V-HG2 G2 0.9 ambi=2 { CG2:22.497 } atom: 836 73F-H N 9.522 ambi=1 { N:127.542 } ::sumAvg: 4.69 atom: 837 73F-HA A 5.109 ambi=1 { CA:56.354 } atom: 838 73F-HB2 B 3.249 ambi=1 { CB:39.615 } :: atom: 837 73F-HA A 5.109 ambi=1 { CA:56.354 } atom: 839 73F-HB3 B 2.948 ambi=1 { CB:39.615 } ::sumAvg: 2.265 atom: 837 73F-HA A 5.109 ambi=1 { CA:56.354 } atom: 840 73F-QD D 7.064 ambi=3 { CD1:130.48 } ::sumAvg: 3.615 atom: 837 73F-HA A 5.109 ambi=1 { CA:56.354 } atom: 852 74T-H N 7.972 ambi=1 { N:111.809 } ::sumAvg: 3.455 atom: 837 73F-HA A 5.109 ambi=1 { CA:56.354 } atom: 855 74T-HG2 G2 1.128 ambi=1 { CG2:21.877 } ::sumAvg: 4.325 atom: 837 73F-HA A 5.109 ambi=1 { CA:56.354 } atom: 864 75V-HG1 G1 0.92 ambi=2 { CG1:22.169 } :: atom: 837 73F-HA A 5.109 ambi=1 { CA:56.354 } atom: 865 75V-HG2 G2 0.9 ambi=2 { CG2:22.497 } ::sumAvg: 4.835 atom: 838 73F-HB2 B 3.249 ambi=1 { CB:39.615 } atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } ::sumAvg: 4.68 atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } atom: 838 73F-HB2 B 3.249 ambi=1 { CB:39.615 } ::sumAvg: 4.68 atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } atom: 840 73F-QD D 7.064 ambi=3 { CD1:130.48 } ::sumAvg: 4.7 atom: 854 74T-HB B 4.019 ambi=1 { CB:72.576 } atom: 840 73F-QD D 7.064 ambi=3 { CD1:130.48 } ::sumAvg: 4.855 atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } atom: 852 74T-H N 7.972 ambi=1 { N:111.809 } ::sumAvg: 2.95 atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } atom: 854 74T-HB B 4.019 ambi=1 { CB:72.576 } ::sumAvg: 2.355 atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } atom: 855 74T-HG2 G2 1.128 ambi=1 { CG2:21.877 } ::sumAvg: 2.625 atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } atom: 861 75V-H N 8.584 ambi=1 { N:122.82 } ::sumAvg: 2.15 atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } atom: 863 75V-HB B 1.925 ambi=1 { CB:34.5 } ::sumAvg: 4.825 atom: 863 75V-HB B 1.925 ambi=1 { CB:34.5 } atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } ::sumAvg: 4.825 atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } atom: 864 75V-HG1 G1 0.92 ambi=2 { CG1:22.169 } :: atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } atom: 865 75V-HG2 G2 0.9 ambi=2 { CG2:22.497 } ::sumAvg: 3.785 atom: 853 74T-HA A 4.736 ambi=1 { CA:60.604 } atom: 876 76E-QG G 2.211 ambi=2 { CG:35.709 } ::sumAvg: 4.395 atom: 854 74T-HB B 4.019 ambi=1 { CB:72.576 } atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } ::sumAvg: 4.67 atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } atom: 854 74T-HB B 4.019 ambi=1 { CB:72.576 } ::sumAvg: 4.67 atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } atom: 861 75V-H N 8.584 ambi=1 { N:122.82 } ::sumAvg: 2.945 atom: 873 76E-HA A 4.861 ambi=1 { CA:53.757 } atom: 861 75V-H N 8.584 ambi=1 { N:122.82 } ::sumAvg: 4.7 atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } atom: 863 75V-HB B 1.925 ambi=1 { CB:34.5 } ::sumAvg: 3.03 atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } atom: 864 75V-HG1 G1 0.92 ambi=2 { CG1:22.169 } :: atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } atom: 865 75V-HG2 G2 0.9 ambi=2 { CG2:22.497 } ::sumAvg: 2.38 atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } atom: 872 76E-H N 9.029 ambi=1 { N:124.572 } ::sumAvg: 2.185 atom: 862 75V-HA A 4.878 ambi=1 { CA:61.844 } atom: 876 76E-QG G 2.211 ambi=2 { CG:35.709 } ::sumAvg: 3.725 atom: 873 76E-HA A 4.861 ambi=1 { CA:53.757 } atom: 863 75V-HB B 1.925 ambi=1 { CB:34.5 } ::sumAvg: 4.845 atom: 873 76E-HA A 4.861 ambi=1 { CA:53.757 } atom: 864 75V-HG1 G1 0.92 ambi=2 { CG1:22.169 } :: atom: 873 76E-HA A 4.861 ambi=1 { CA:53.757 } atom: 865 75V-HG2 G2 0.9 ambi=2 { CG2:22.497 } ::sumAvg: 3.935 atom: 876 76E-QG G 2.211 ambi=2 { CG:35.709 } atom: 864 75V-HG1 G1 0.92 ambi=2 { CG1:22.169 } :: atom: 876 76E-QG G 2.211 ambi=2 { CG:35.709 } atom: 865 75V-HG2 G2 0.9 ambi=2 { CG2:22.497 } ::sumAvg: 4.715 atom: 873 76E-HA A 4.861 ambi=1 { CA:53.757 } atom: 872 76E-H N 9.029 ambi=1 { N:124.572 } ::sumAvg: 2.95 atom: 873 76E-HA A 4.861 ambi=1 { CA:53.757 } atom: 874 76E-HB2 B 1.914 ambi=1 { CB:34.23 } :: atom: 873 76E-HA A 4.861 ambi=1 { CA:53.757 } atom: 875 76E-HB3 B 2.049 ambi=1 { CB:34.23 } ::sumAvg: 2.435 atom: 873 76E-HA A 4.861 ambi=1 { CA:53.757 } atom: 876 76E-QG G 2.211 ambi=2 { CG:35.709 } ::sumAvg: 2.915 atom: 873 76E-HA A 4.861 ambi=1 { CA:53.757 } atom: 883 77R-H N 8.962 ambi=1 { N:122.875 } ::sumAvg: 2.465 atom: 873 76E-HA A 4.861 ambi=1 { CA:53.757 } atom: 885 77R-HB2 B 1.723 ambi=2 { CB:30.893 } :: atom: 873 76E-HA A 4.861 ambi=1 { CA:53.757 } atom: 886 77R-HB3 B 1.934 ambi=2 { CB:30.893 } ::sumAvg: 4.645 atom: 874 76E-HB2 B 1.914 ambi=1 { CB:34.23 } atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } ::sumAvg: 4.89 atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 874 76E-HB2 B 1.914 ambi=1 { CB:34.23 } ::sumAvg: 4.89 atom: 874 76E-HB2 B 1.914 ambi=1 { CB:34.23 } atom: 904 78L-HD1 D1 0.804 ambi=2 { CD1:24.901 } :: atom: 874 76E-HB2 B 1.914 ambi=1 { CB:34.23 } atom: 905 78L-HD2 D2 0.832 ambi=2 { CD2:23.402 } ::sumAvg: 4.905 atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 883 77R-H N 8.962 ambi=1 { N:122.875 } ::sumAvg: 2.915 atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 885 77R-HB2 B 1.723 ambi=2 { CB:30.893 } :: atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 886 77R-HB3 B 1.934 ambi=2 { CB:30.893 } ::sumAvg: 2.46 atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 887 77R-HG2 G 1.87 ambi=2 { CG:27.26 } :: atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 888 77R-HG3 G 1.717 ambi=2 { CG:27.26 } ::sumAvg: 3.155 atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 889 77R-QD D 3.224 ambi=2 { CD:43.565 } ::sumAvg: 4.155 atom: 889 77R-QD D 3.224 ambi=2 { CD:43.565 } atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } ::sumAvg: 4.155 atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 899 78L-H N 8.252 ambi=1 { N:127.062 } ::sumAvg: 2.215 atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 901 78L-HB2 B 1.493 ambi=1 { CB:43.228 } ::sumAvg: 4.585 atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 903 78L-HG G 1.425 ambi=1 { CG:26.712 } ::sumAvg: 4.05 atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 904 78L-HD1 D1 0.804 ambi=2 { CD1:24.901 } :: atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } atom: 905 78L-HD2 D2 0.832 ambi=2 { CD2:23.402 } ::sumAvg: 4.785 atom: 904 78L-HD1 D1 0.804 ambi=2 { CD1:24.901 } atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } :: atom: 905 78L-HD2 D2 0.832 ambi=2 { CD2:23.402 } atom: 884 77R-HA A 4.736 ambi=1 { CA:55.521 } ::sumAvg: 4.785 atom: 885 77R-HB2 B 1.723 ambi=2 { CB:30.893 } atom: 891 77R-HE E 7.707 ambi=1 { NE:84.443 } :: atom: 886 77R-HB3 B 1.934 ambi=2 { CB:30.893 } atom: 891 77R-HE E 7.707 ambi=1 { NE:84.443 } ::sumAvg: 3.24 atom: 887 77R-HG2 G 1.87 ambi=2 { CG:27.26 } atom: 891 77R-HE E 7.707 ambi=1 { NE:84.443 } :: atom: 888 77R-HG3 G 1.717 ambi=2 { CG:27.26 } atom: 891 77R-HE E 7.707 ambi=1 { NE:84.443 } ::sumAvg: 2.995 atom: 900 78L-HA A 4.505 ambi=1 { CA:53.875 } atom: 887 77R-HG2 G 1.87 ambi=2 { CG:27.26 } :: atom: 900 78L-HA A 4.505 ambi=1 { CA:53.875 } atom: 888 77R-HG3 G 1.717 ambi=2 { CG:27.26 } ::sumAvg: 4.275 atom: 914 79S-HA A 4.492 ambi=1 { CA:58.465 } atom: 887 77R-HG2 G 1.87 ambi=2 { CG:27.26 } :: atom: 914 79S-HA A 4.492 ambi=1 { CA:58.465 } atom: 888 77R-HG3 G 1.717 ambi=2 { CG:27.26 } ::sumAvg: 3.55 atom: 915 79S-QB B 3.878 ambi=2 { CB:63.993 } atom: 887 77R-HG2 G 1.87 ambi=2 { CG:27.26 } :: atom: 915 79S-QB B 3.878 ambi=2 { CB:63.993 } atom: 888 77R-HG3 G 1.717 ambi=2 { CG:27.26 } ::sumAvg: 4.09 atom: 889 77R-QD D 3.224 ambi=2 { CD:43.565 } atom: 914 79S-HA A 4.492 ambi=1 { CA:58.465 } ::sumAvg: 4.56 atom: 914 79S-HA A 4.492 ambi=1 { CA:58.465 } atom: 889 77R-QD D 3.224 ambi=2 { CD:43.565 } ::sumAvg: 4.56 atom: 889 77R-QD D 3.224 ambi=2 { CD:43.565 } atom: 915 79S-QB B 3.878 ambi=2 { CB:63.993 } ::sumAvg: 4.725 atom: 915 79S-QB B 3.878 ambi=2 { CB:63.993 } atom: 889 77R-QD D 3.224 ambi=2 { CD:43.565 } ::sumAvg: 4.725 atom: 915 79S-QB B 3.878 ambi=2 { CB:63.993 } atom: 891 77R-HE E 7.707 ambi=1 { NE:84.443 } ::sumAvg: 4.8 atom: 900 78L-HA A 4.505 ambi=1 { CA:53.875 } atom: 899 78L-H N 8.252 ambi=1 { N:127.062 } ::sumAvg: 2.925 atom: 900 78L-HA A 4.505 ambi=1 { CA:53.875 } atom: 901 78L-HB2 B 1.493 ambi=1 { CB:43.228 } :: atom: 900 78L-HA A 4.505 ambi=1 { CA:53.875 } atom: 902 78L-HB3 B 1.365 ambi=1 { CB:43.228 } ::sumAvg: 2.52 atom: 900 78L-HA A 4.505 ambi=1 { CA:53.875 } atom: 903 78L-HG G 1.425 ambi=1 { CG:26.712 } ::sumAvg: 3.085 atom: 900 78L-HA A 4.505 ambi=1 { CA:53.875 } atom: 904 78L-HD1 D1 0.804 ambi=2 { CD1:24.901 } :: atom: 900 78L-HA A 4.505 ambi=1 { CA:53.875 } atom: 905 78L-HD2 D2 0.832 ambi=2 { CD2:23.402 } ::sumAvg: 2.025 atom: 900 78L-HA A 4.505 ambi=1 { CA:53.875 } atom: 913 79S-H N 8.635 ambi=1 { N:118.446 } ::sumAvg: 2.86 atom: 900 78L-HA A 4.505 ambi=1 { CA:53.875 } atom: 915 79S-QB B 3.878 ambi=2 { CB:63.993 } ::sumAvg: 4.43 atom: 900 78L-HA A 4.505 ambi=1 { CA:53.875 } atom: 921 80N-H N 8.421 ambi=1 { N:119.339 } ::sumAvg: 4.155 atom: 900 78L-HA A 4.505 ambi=1 { CA:53.875 } atom: 937 81L-HD1 D1 0.843 ambi=2 { CD1:25.205 } :: atom: 900 78L-HA A 4.505 ambi=1 { CA:53.875 } atom: 938 81L-HD2 D2 0.755 ambi=2 { CD2:23.24 } ::sumAvg: 4.52 atom: 902 78L-HB3 B 1.365 ambi=1 { CB:43.228 } atom: 933 81L-HA A 4.258 ambi=1 { CA:55.263 } ::sumAvg: 4.65 atom: 933 81L-HA A 4.258 ambi=1 { CA:55.263 } atom: 902 78L-HB3 B 1.365 ambi=1 { CB:43.228 } ::sumAvg: 4.65 atom: 937 81L-HD1 D1 0.843 ambi=2 { CD1:25.205 } atom: 901 78L-HB2 B 1.493 ambi=1 { CB:43.228 } :: atom: 938 81L-HD2 D2 0.755 ambi=2 { CD2:23.24 } atom: 901 78L-HB2 B 1.493 ambi=1 { CB:43.228 } :: atom: 937 81L-HD1 D1 0.843 ambi=2 { CD1:25.205 } atom: 902 78L-HB3 B 1.365 ambi=1 { CB:43.228 } :: atom: 938 81L-HD2 D2 0.755 ambi=2 { CD2:23.24 } atom: 902 78L-HB3 B 1.365 ambi=1 { CB:43.228 } ::sumAvg: 2.67 atom: 904 78L-HD1 D1 0.804 ambi=2 { CD1:24.901 } atom: 921 80N-H N 8.421 ambi=1 { N:119.339 } :: atom: 905 78L-HD2 D2 0.832 ambi=2 { CD2:23.402 } atom: 921 80N-H N 8.421 ambi=1 { N:119.339 } ::sumAvg: 4.83 atom: 914 79S-HA A 4.492 ambi=1 { CA:58.465 } atom: 913 79S-H N 8.635 ambi=1 { N:118.446 } ::sumAvg: 2.875 atom: 914 79S-HA A 4.492 ambi=1 { CA:58.465 } atom: 915 79S-QB B 3.878 ambi=2 { CB:63.993 } ::sumAvg: 2.285 atom: 914 79S-HA A 4.492 ambi=1 { CA:58.465 } atom: 921 80N-H N 8.421 ambi=1 { N:119.339 } ::sumAvg: 3.555 atom: 914 79S-HA A 4.492 ambi=1 { CA:58.465 } atom: 936 81L-HG G 1.581 ambi=1 { CG:26.918 } ::sumAvg: 4.4 atom: 914 79S-HA A 4.492 ambi=1 { CA:58.465 } atom: 937 81L-HD1 D1 0.843 ambi=2 { CD1:25.205 } :: atom: 914 79S-HA A 4.492 ambi=1 { CA:58.465 } atom: 938 81L-HD2 D2 0.755 ambi=2 { CD2:23.24 } ::sumAvg: 4.28 atom: 915 79S-QB B 3.878 ambi=2 { CB:63.993 } atom: 922 80N-HA A 4.668 ambi=1 { CA:53.3 } ::sumAvg: 4.325 atom: 922 80N-HA A 4.668 ambi=1 { CA:53.3 } atom: 915 79S-QB B 3.878 ambi=2 { CB:63.993 } ::sumAvg: 4.325 atom: 915 79S-QB B 3.878 ambi=2 { CB:63.993 } atom: 923 80N-HB2 B 2.83 ambi=2 { CB:38.3 } :: atom: 915 79S-QB B 3.878 ambi=2 { CB:63.993 } atom: 924 80N-HB3 B 2.761 ambi=2 { CB:38.3 } ::sumAvg: 4.715 atom: 923 80N-HB2 B 2.83 ambi=2 { CB:38.3 } atom: 915 79S-QB B 3.878 ambi=2 { CB:63.993 } :: atom: 924 80N-HB3 B 2.761 ambi=2 { CB:38.3 } atom: 915 79S-QB B 3.878 ambi=2 { CB:63.993 } ::sumAvg: 4.715 atom: 915 79S-QB B 3.878 ambi=2 { CB:63.993 } atom: 925 80N-HD21 D2 7.595 ambi=2 { ND2:112.676 } :: atom: 915 79S-QB B 3.878 ambi=2 { CB:63.993 } atom: 926 80N-HD22 D2 6.874 ambi=2 { ND2:112.676 } ::sumAvg: 4.995 atom: 922 80N-HA A 4.668 ambi=1 { CA:53.3 } atom: 921 80N-H N 8.421 ambi=1 { N:119.339 } ::sumAvg: 2.91 atom: 937 81L-HD1 D1 0.843 ambi=2 { CD1:25.205 } atom: 921 80N-H N 8.421 ambi=1 { N:119.339 } :: atom: 938 81L-HD2 D2 0.755 ambi=2 { CD2:23.24 } atom: 921 80N-H N 8.421 ambi=1 { N:119.339 } ::sumAvg: 4.31 atom: 922 80N-HA A 4.668 ambi=1 { CA:53.3 } atom: 923 80N-HB2 B 2.83 ambi=2 { CB:38.3 } :: atom: 922 80N-HA A 4.668 ambi=1 { CA:53.3 } atom: 924 80N-HB3 B 2.761 ambi=2 { CB:38.3 } ::sumAvg: 2.475 atom: 922 80N-HA A 4.668 ambi=1 { CA:53.3 } atom: 925 80N-HD21 D2 7.595 ambi=2 { ND2:112.676 } :: atom: 922 80N-HA A 4.668 ambi=1 { CA:53.3 } atom: 926 80N-HD22 D2 6.874 ambi=2 { ND2:112.676 } ::sumAvg: 3.645 atom: 922 80N-HA A 4.668 ambi=1 { CA:53.3 } atom: 932 81L-H N 8.256 ambi=1 { N:121.238 } ::sumAvg: 2.225 atom: 922 80N-HA A 4.668 ambi=1 { CA:53.3 } atom: 933 81L-HA A 4.258 ambi=1 { CA:55.263 } ::sumAvg: 4.455 atom: 933 81L-HA A 4.258 ambi=1 { CA:55.263 } atom: 922 80N-HA A 4.668 ambi=1 { CA:53.3 } ::sumAvg: 4.455 atom: 922 80N-HA A 4.668 ambi=1 { CA:53.3 } atom: 934 81L-HB2 B 1.61 ambi=1 { CB:41.756 } ::sumAvg: 4.73 atom: 934 81L-HB2 B 1.61 ambi=1 { CB:41.756 } atom: 922 80N-HA A 4.668 ambi=1 { CA:53.3 } ::sumAvg: 4.73 atom: 922 80N-HA A 4.668 ambi=1 { CA:53.3 } atom: 936 81L-HG G 1.581 ambi=1 { CG:26.918 } ::sumAvg: 4.065 atom: 922 80N-HA A 4.668 ambi=1 { CA:53.3 } atom: 937 81L-HD1 D1 0.843 ambi=2 { CD1:25.205 } :: atom: 922 80N-HA A 4.668 ambi=1 { CA:53.3 } atom: 938 81L-HD2 D2 0.755 ambi=2 { CD2:23.24 } ::sumAvg: 4.41 atom: 937 81L-HD1 D1 0.843 ambi=2 { CD1:25.205 } atom: 922 80N-HA A 4.668 ambi=1 { CA:53.3 } :: atom: 938 81L-HD2 D2 0.755 ambi=2 { CD2:23.24 } atom: 922 80N-HA A 4.668 ambi=1 { CA:53.3 } ::sumAvg: 4.41 atom: 948 82E-QB B 1.909 ambi=2 { CB:29.997 } atom: 933 81L-HA A 4.258 ambi=1 { CA:55.263 } ::sumAvg: 4.645 atom: 933 81L-HA A 4.258 ambi=1 { CA:55.263 } atom: 950 82E-HG2 G 2.214 ambi=1 { CG:36.051 } ::sumAvg: 4.64 atom: 950 82E-HG2 G 2.214 ambi=1 { CG:36.051 } atom: 933 81L-HA A 4.258 ambi=1 { CA:55.263 } ::sumAvg: 4.64 atom: 933 81L-HA A 4.258 ambi=1 { CA:55.263 } atom: 957 83H-H N 8.195 ambi=1 { N:119.507 } ::sumAvg: 4.57 atom: 934 81L-HB2 B 1.61 ambi=1 { CB:41.756 } atom: 947 82E-HA A 4.169 ambi=1 { CA:56.762 } ::sumAvg: 4.965 atom: 947 82E-HA A 4.169 ambi=1 { CA:56.762 } atom: 934 81L-HB2 B 1.61 ambi=1 { CB:41.756 } ::sumAvg: 4.965 atom: 934 81L-HB2 B 1.61 ambi=1 { CB:41.756 } atom: 957 83H-H N 8.195 ambi=1 { N:119.507 } :: atom: 935 81L-HB3 B 1.55 ambi=1 { CB:41.756 } atom: 957 83H-H N 8.195 ambi=1 { N:119.507 } ::sumAvg: 3.64 atom: 934 81L-HB2 B 1.61 ambi=1 { CB:41.756 } atom: 959 83H-HB2 B 3.034 ambi=2 { CB:30.366 } :: atom: 934 81L-HB2 B 1.61 ambi=1 { CB:41.756 } atom: 960 83H-HB3 B 2.961 ambi=2 { CB:30.366 } :: atom: 935 81L-HB3 B 1.55 ambi=1 { CB:41.756 } atom: 959 83H-HB2 B 3.034 ambi=2 { CB:30.366 } :: atom: 935 81L-HB3 B 1.55 ambi=1 { CB:41.756 } atom: 960 83H-HB3 B 2.961 ambi=2 { CB:30.366 } ::sumAvg: 3.495 atom: 959 83H-HB2 B 3.034 ambi=2 { CB:30.366 } atom: 934 81L-HB2 B 1.61 ambi=1 { CB:41.756 } :: atom: 960 83H-HB3 B 2.961 ambi=2 { CB:30.366 } atom: 934 81L-HB2 B 1.61 ambi=1 { CB:41.756 } :: atom: 959 83H-HB2 B 3.034 ambi=2 { CB:30.366 } atom: 935 81L-HB3 B 1.55 ambi=1 { CB:41.756 } :: atom: 960 83H-HB3 B 2.961 ambi=2 { CB:30.366 } atom: 935 81L-HB3 B 1.55 ambi=1 { CB:41.756 } ::sumAvg: 3.495 atom: 934 81L-HB2 B 1.61 ambi=1 { CB:41.756 } atom: 961 83H-HD2 D2 6.923 ambi=1 { CD2:119.424 } :: atom: 935 81L-HB3 B 1.55 ambi=1 { CB:41.756 } atom: 961 83H-HD2 D2 6.923 ambi=1 { CD2:119.424 } ::sumAvg: 2.06 atom: 936 81L-HG G 1.581 ambi=1 { CG:26.918 } atom: 961 83H-HD2 D2 6.923 ambi=1 { CD2:119.424 } ::sumAvg: 4.94 atom: 937 81L-HD1 D1 0.843 ambi=2 { CD1:25.205 } atom: 959 83H-HB2 B 3.034 ambi=2 { CB:30.366 } :: atom: 937 81L-HD1 D1 0.843 ambi=2 { CD1:25.205 } atom: 960 83H-HB3 B 2.961 ambi=2 { CB:30.366 } :: atom: 938 81L-HD2 D2 0.755 ambi=2 { CD2:23.24 } atom: 959 83H-HB2 B 3.034 ambi=2 { CB:30.366 } :: atom: 938 81L-HD2 D2 0.755 ambi=2 { CD2:23.24 } atom: 960 83H-HB3 B 2.961 ambi=2 { CB:30.366 } ::sumAvg: 3.835 atom: 937 81L-HD1 D1 0.843 ambi=2 { CD1:25.205 } atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } :: atom: 938 81L-HD2 D2 0.755 ambi=2 { CD2:23.24 } atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } ::sumAvg: 4.86 atom: 947 82E-HA A 4.169 ambi=1 { CA:56.762 } atom: 957 83H-H N 8.195 ambi=1 { N:119.507 } ::sumAvg: 3.23 atom: 948 82E-QB B 1.909 ambi=2 { CB:29.997 } atom: 957 83H-H N 8.195 ambi=1 { N:119.507 } ::sumAvg: 3.97 atom: 958 83H-HA A 4.535 ambi=1 { CA:55.951 } atom: 948 82E-QB B 1.909 ambi=2 { CB:29.997 } ::sumAvg: 4.59 atom: 950 82E-HG2 G 2.214 ambi=1 { CG:36.051 } atom: 957 83H-H N 8.195 ambi=1 { N:119.507 } :: atom: 951 82E-HG3 G 2.152 ambi=1 { CG:36.051 } atom: 957 83H-H N 8.195 ambi=1 { N:119.507 } ::sumAvg: 4.52 atom: 958 83H-HA A 4.535 ambi=1 { CA:55.951 } atom: 951 82E-HG3 G 2.152 ambi=1 { CG:36.051 } ::sumAvg: 4.765 atom: 958 83H-HA A 4.535 ambi=1 { CA:55.951 } atom: 957 83H-H N 8.195 ambi=1 { N:119.507 } ::sumAvg: 2.9 atom: 958 83H-HA A 4.535 ambi=1 { CA:55.951 } atom: 959 83H-HB2 B 3.034 ambi=2 { CB:30.366 } :: atom: 958 83H-HA A 4.535 ambi=1 { CA:55.951 } atom: 960 83H-HB3 B 2.961 ambi=2 { CB:30.366 } ::sumAvg: 2.565 atom: 958 83H-HA A 4.535 ambi=1 { CA:55.951 } atom: 961 83H-HD2 D2 6.923 ambi=1 { CD2:119.424 } ::sumAvg: 3.745 atom: 959 83H-HB2 B 3.034 ambi=2 { CB:30.366 } atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } :: atom: 960 83H-HB3 B 2.961 ambi=2 { CB:30.366 } atom: 962 83H-HE1 E1 7.9 ambi=1 { CE1:137.765 } ::sumAvg: 4.725