# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 16 2N-HD21 D2 7.46 ambi=1 { ND2:111.1 } atom: 24 3R-H N 8.95 ambi=1 { N:117.6 } ::sumAvg: 4.62 atom: 24 3R-H N 8.95 ambi=1 { N:117.6 } atom: 16 2N-HD21 D2 7.46 ambi=1 { ND2:111.1 } ::sumAvg: 4.62 atom: 16 2N-HD21 D2 7.46 ambi=1 { ND2:111.1 } atom: 41 4Q-H N 8.37 ambi=1 { N:120.7 } :: atom: 17 2N-HD22 D2 6.94 ambi=1 { ND2:111.1 } atom: 41 4Q-H N 8.37 ambi=1 { N:120.7 } ::sumAvg: 4.61 atom: 17 2N-HD22 D2 6.94 ambi=1 { ND2:111.1 } atom: 43 4Q-HB2 B 2.1 ambi=2 { CB:28.2 } :: atom: 17 2N-HD22 D2 6.94 ambi=1 { ND2:111.1 } atom: 44 4Q-HB3 B 2 ambi=2 { CB:28.2 } ::sumAvg: 4.52 atom: 17 2N-HD22 D2 6.94 ambi=1 { ND2:111.1 } atom: 62 5Q-HE21 E2 7.56 ambi=1 { NE2:111.5 } ::sumAvg: 4.845 atom: 62 5Q-HE21 E2 7.56 ambi=1 { NE2:111.5 } atom: 17 2N-HD22 D2 6.94 ambi=1 { ND2:111.1 } ::sumAvg: 4.845 atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } atom: 1 1M-HA A 4.21 ambi=1 { CA:55 } ::sumAvg: 4.96 atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } atom: 2 1M-HB2 B 2.12 ambi=2 { CB:34.6 } :: atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } atom: 3 1M-HB3 B 2 ambi=2 { CB:34.6 } ::sumAvg: 4.99 atom: 1194 102A-H N 8.31 ambi=1 { N:122 } atom: 2 1M-HB2 B 2.12 ambi=2 { CB:34.6 } :: atom: 1194 102A-H N 8.31 ambi=1 { N:122 } atom: 3 1M-HB3 B 2 ambi=2 { CB:34.6 } ::sumAvg: 4.78 atom: 12 2N-H N 8.5 ambi=1 { N:122 } atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } ::sumAvg: 4.57 atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } ::sumAvg: 3.815 atom: 111 9Y-H N 8.06 ambi=1 { N:121.6 } atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } ::sumAvg: 4.92 atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } ::sumAvg: 4.695 atom: 12 2N-H N 8.5 ambi=1 { N:122 } atom: 16 2N-HD21 D2 7.46 ambi=1 { ND2:111.1 } ::sumAvg: 4.625 atom: 16 2N-HD21 D2 7.46 ambi=1 { ND2:111.1 } atom: 12 2N-H N 8.5 ambi=1 { N:122 } ::sumAvg: 4.625 atom: 12 2N-H N 8.5 ambi=1 { N:122 } atom: 24 3R-H N 8.95 ambi=1 { N:117.6 } ::sumAvg: 4.39 atom: 24 3R-H N 8.95 ambi=1 { N:117.6 } atom: 12 2N-H N 8.5 ambi=1 { N:122 } ::sumAvg: 4.39 atom: 12 2N-H N 8.5 ambi=1 { N:122 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 12 2N-H N 8.5 ambi=1 { N:122 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 4.835 atom: 16 2N-HD21 D2 7.46 ambi=1 { ND2:111.1 } atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } :: atom: 17 2N-HD22 D2 6.94 ambi=1 { ND2:111.1 } atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } ::sumAvg: 3.9 atom: 56 5Q-H N 8.67 ambi=1 { N:117.7 } atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } ::sumAvg: 4.69 atom: 41 4Q-H N 8.37 ambi=1 { N:120.7 } atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } :: atom: 41 4Q-H N 8.37 ambi=1 { N:120.7 } atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } ::sumAvg: 3.525 atom: 56 5Q-H N 8.67 ambi=1 { N:117.7 } atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } :: atom: 56 5Q-H N 8.67 ambi=1 { N:117.7 } atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } ::sumAvg: 3.59 atom: 47 4Q-HE21 E2 7.85 ambi=1 { NE2:115.3 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } :: atom: 48 4Q-HE22 E2 6.92 ambi=1 { NE2:115.3 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } ::sumAvg: 3.755 atom: 24 3R-H N 8.95 ambi=1 { N:117.6 } atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } ::sumAvg: 4.42 atom: 24 3R-H N 8.95 ambi=1 { N:117.6 } atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } ::sumAvg: 4.9 atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } atom: 24 3R-H N 8.95 ambi=1 { N:117.6 } ::sumAvg: 4.9 atom: 24 3R-H N 8.95 ambi=1 { N:117.6 } atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } :: atom: 24 3R-H N 8.95 ambi=1 { N:117.6 } atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } ::sumAvg: 4.75 atom: 24 3R-H N 8.95 ambi=1 { N:117.6 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 24 3R-H N 8.95 ambi=1 { N:117.6 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } ::sumAvg: 4.67 atom: 32 3R-HE E 7.65 ambi=1 { NE:84.7 } atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } ::sumAvg: 4.825 atom: 32 3R-HE E 7.65 ambi=1 { NE:84.7 } atom: 26 3R-HB2 B 1.89 ambi=2 { CB:30.9 } :: atom: 32 3R-HE E 7.65 ambi=1 { NE:84.7 } atom: 27 3R-HB3 B 1.8 ambi=2 { CB:30.9 } ::sumAvg: 3.39 atom: 32 3R-HE E 7.65 ambi=1 { NE:84.7 } atom: 28 3R-HG2 G 1.63 ambi=2 { CG:27 } :: atom: 32 3R-HE E 7.65 ambi=1 { NE:84.7 } atom: 29 3R-HG3 G 1.65 ambi=2 { CG:27 } ::sumAvg: 2.975 atom: 32 3R-HE E 7.65 ambi=1 { NE:84.7 } atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } ::sumAvg: 2.455 atom: 32 3R-HE E 7.65 ambi=1 { NE:84.7 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } ::sumAvg: 3.875 atom: 32 3R-HE E 7.65 ambi=1 { NE:84.7 } atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } :: atom: 32 3R-HE E 7.65 ambi=1 { NE:84.7 } atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } ::sumAvg: 4.605 atom: 32 3R-HE E 7.65 ambi=1 { NE:84.7 } atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } :: atom: 32 3R-HE E 7.65 ambi=1 { NE:84.7 } atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } ::sumAvg: 3.56 atom: 41 4Q-H N 8.37 ambi=1 { N:120.7 } atom: 60 5Q-HG2 G 2.76 ambi=2 { CG:34.3 } :: atom: 41 4Q-H N 8.37 ambi=1 { N:120.7 } atom: 61 5Q-HG3 G 2.5 ambi=2 { CG:34.3 } ::sumAvg: 4.66 atom: 56 5Q-H N 8.67 ambi=1 { N:117.7 } atom: 45 4Q-QG G 2.43 ambi=2 { CG:33.7 } ::sumAvg: 3.67 atom: 62 5Q-HE21 E2 7.56 ambi=1 { NE2:111.5 } atom: 63 5Q-HE22 E2 6.82 ambi=1 { NE2:111.5 } :: atom: 63 5Q-HE22 E2 6.82 ambi=1 { NE2:111.5 } atom: 62 5Q-HE21 E2 7.56 ambi=1 { NE2:111.5 } ::sumAvg: 1.8 atom: 63 5Q-HE22 E2 6.82 ambi=1 { NE2:111.5 } atom: 62 5Q-HE21 E2 7.56 ambi=1 { NE2:111.5 } :: atom: 62 5Q-HE21 E2 7.56 ambi=1 { NE2:111.5 } atom: 63 5Q-HE22 E2 6.82 ambi=1 { NE2:111.5 } ::sumAvg: 1.8 atom: 56 5Q-H N 8.67 ambi=1 { N:117.7 } atom: 62 5Q-HE21 E2 7.56 ambi=1 { NE2:111.5 } ::sumAvg: 4.72 atom: 62 5Q-HE21 E2 7.56 ambi=1 { NE2:111.5 } atom: 56 5Q-H N 8.67 ambi=1 { N:117.7 } ::sumAvg: 4.72 atom: 56 5Q-H N 8.67 ambi=1 { N:117.7 } atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } :: atom: 56 5Q-H N 8.67 ambi=1 { N:117.7 } atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } ::sumAvg: 4.78 atom: 62 5Q-HE21 E2 7.56 ambi=1 { NE2:111.5 } atom: 57 5Q-HA A 4.19 ambi=1 { CA:58.5 } :: atom: 63 5Q-HE22 E2 6.82 ambi=1 { NE2:111.5 } atom: 57 5Q-HA A 4.19 ambi=1 { CA:58.5 } ::sumAvg: 4.255 atom: 62 5Q-HE21 E2 7.56 ambi=1 { NE2:111.5 } atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } :: atom: 63 5Q-HE22 E2 6.82 ambi=1 { NE2:111.5 } atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } :: atom: 62 5Q-HE21 E2 7.56 ambi=1 { NE2:111.5 } atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } :: atom: 63 5Q-HE22 E2 6.82 ambi=1 { NE2:111.5 } atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } ::sumAvg: 3.905 atom: 111 9Y-H N 8.06 ambi=1 { N:121.6 } atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } :: atom: 111 9Y-H N 8.06 ambi=1 { N:121.6 } atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } ::sumAvg: 4.84 atom: 103 8D-H N 8.71 ambi=1 { N:119.8 } atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } ::sumAvg: 4.175 atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 4.55 atom: 520 42L-H N 8.3 ambi=1 { N:123.7 } atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } ::sumAvg: 4.98 atom: 89 7I-H N 8.39 ambi=1 { N:121 } atom: 105 8D-HB2 B 2.74 ambi=2 { CB:40.6 } :: atom: 89 7I-H N 8.39 ambi=1 { N:121 } atom: 106 8D-HB3 B 2.64 ambi=2 { CB:40.6 } ::sumAvg: 4.925 atom: 89 7I-H N 8.39 ambi=1 { N:121 } atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } ::sumAvg: 4.965 atom: 111 9Y-H N 8.06 ambi=1 { N:121.6 } atom: 90 7I-HA A 3.28 ambi=1 { CA:66.4 } ::sumAvg: 4.47 atom: 103 8D-H N 8.71 ambi=1 { N:119.8 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } ::sumAvg: 4.505 atom: 149 12K-H N 8.04 ambi=1 { N:119.3 } atom: 105 8D-HB2 B 2.74 ambi=2 { CB:40.6 } :: atom: 149 12K-H N 8.04 ambi=1 { N:119.3 } atom: 106 8D-HB3 B 2.64 ambi=2 { CB:40.6 } ::sumAvg: 4.945 atom: 103 8D-H N 8.71 ambi=1 { N:119.8 } atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } :: atom: 103 8D-H N 8.71 ambi=1 { N:119.8 } atom: 114 9Y-HB3 B 2.86 ambi=2 { CB:38.6 } ::sumAvg: 4.81 atom: 134 11Q-H N 7.83 ambi=1 { N:116.6 } atom: 103 8D-H N 8.71 ambi=1 { N:119.8 } ::sumAvg: 4.775 atom: 103 8D-H N 8.71 ambi=1 { N:119.8 } atom: 138 11Q-QG G 2.35 ambi=2 { CG:34.3 } ::sumAvg: 4.75 atom: 127 10A-H N 8.34 ambi=1 { N:120.7 } atom: 104 8D-HA A 4.37 ambi=1 { CA:57.3 } ::sumAvg: 4.475 atom: 134 11Q-H N 7.83 ambi=1 { N:116.6 } atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } :: atom: 134 11Q-H N 7.83 ambi=1 { N:116.6 } atom: 114 9Y-HB3 B 2.86 ambi=2 { CB:38.6 } ::sumAvg: 4.97 atom: 127 10A-H N 8.34 ambi=1 { N:120.7 } atom: 112 9Y-HA A 4 ambi=1 { CA:61.7 } ::sumAvg: 3.55 atom: 134 11Q-H N 7.83 ambi=1 { N:116.6 } atom: 112 9Y-HA A 4 ambi=1 { CA:61.7 } ::sumAvg: 4.47 atom: 1289 110E-H N 7.96 ambi=1 { N:120.8 } atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } ::sumAvg: 4.92 atom: 166 13K-H N 8.44 ambi=1 { N:117.7 } atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } ::sumAvg: 4.55 atom: 183 14Y-H N 6.78 ambi=1 { N:113.1 } atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } ::sumAvg: 4.365 atom: 199 15D-H N 7.62 ambi=1 { N:119.6 } atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } ::sumAvg: 4.975 atom: 134 11Q-H N 7.83 ambi=1 { N:116.6 } atom: 140 11Q-HE21 E2 7.27 ambi=1 { NE2:111.7 } ::sumAvg: 4.66 atom: 140 11Q-HE21 E2 7.27 ambi=1 { NE2:111.7 } atom: 134 11Q-H N 7.83 ambi=1 { N:116.6 } ::sumAvg: 4.66 atom: 134 11Q-H N 7.83 ambi=1 { N:116.6 } atom: 183 14Y-H N 6.78 ambi=1 { N:113.1 } ::sumAvg: 4.715 atom: 183 14Y-H N 6.78 ambi=1 { N:113.1 } atom: 134 11Q-H N 7.83 ambi=1 { N:116.6 } ::sumAvg: 4.715 atom: 134 11Q-H N 7.83 ambi=1 { N:116.6 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } ::sumAvg: 4.84 atom: 166 13K-H N 8.44 ambi=1 { N:117.7 } atom: 135 11Q-HA A 4.13 ambi=1 { CA:59.2 } ::sumAvg: 4.615 atom: 140 11Q-HE21 E2 7.27 ambi=1 { NE2:111.7 } atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } :: atom: 141 11Q-HE22 E2 6.75 ambi=1 { NE2:111.7 } atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } ::sumAvg: 3.13 atom: 140 11Q-HE21 E2 7.27 ambi=1 { NE2:111.7 } atom: 223 17K-QE E 2.85 ambi=2 { CE:42.1 } :: atom: 141 11Q-HE22 E2 6.75 ambi=1 { NE2:111.7 } atom: 223 17K-QE E 2.85 ambi=2 { CE:42.1 } ::sumAvg: 4.67 atom: 140 11Q-HE21 E2 7.27 ambi=1 { NE2:111.7 } atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } :: atom: 140 11Q-HE21 E2 7.27 ambi=1 { NE2:111.7 } atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } :: atom: 141 11Q-HE22 E2 6.75 ambi=1 { NE2:111.7 } atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } :: atom: 141 11Q-HE22 E2 6.75 ambi=1 { NE2:111.7 } atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } ::sumAvg: 3.905 atom: 149 12K-H N 8.04 ambi=1 { N:119.3 } atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } :: atom: 149 12K-H N 8.04 ambi=1 { N:119.3 } atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } ::sumAvg: 4.93 atom: 149 12K-H N 8.04 ambi=1 { N:119.3 } atom: 183 14Y-H N 6.78 ambi=1 { N:113.1 } ::sumAvg: 4.255 atom: 166 13K-H N 8.44 ambi=1 { N:117.7 } atom: 153 12K-QG G 1.36 ambi=2 { CG:25.1 } ::sumAvg: 3.875 atom: 166 13K-H N 8.44 ambi=1 { N:117.7 } atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } ::sumAvg: 4.275 atom: 199 15D-H N 7.62 ambi=1 { N:119.6 } atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } :: atom: 199 15D-H N 7.62 ambi=1 { N:119.6 } atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } ::sumAvg: 4.6 atom: 183 14Y-H N 6.78 ambi=1 { N:113.1 } atom: 170 13K-HG2 G 0.09 ambi=2 { CG:23.6 } :: atom: 183 14Y-H N 6.78 ambi=1 { N:113.1 } atom: 171 13K-HG3 G -0.31 ambi=2 { CG:23.6 } ::sumAvg: 4.14 atom: 183 14Y-H N 6.78 ambi=1 { N:113.1 } atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } ::sumAvg: 4.605 atom: 207 16T-H N 7.56 ambi=1 { N:113.1 } atom: 183 14Y-H N 6.78 ambi=1 { N:113.1 } ::sumAvg: 3.85 atom: 207 16T-H N 7.56 ambi=1 { N:113.1 } atom: 184 14Y-HA A 4.53 ambi=1 { CA:56.6 } ::sumAvg: 4.98 atom: 199 15D-H N 7.62 ambi=1 { N:119.6 } atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } ::sumAvg: 4.195 atom: 207 16T-H N 7.56 ambi=1 { N:113.1 } atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } ::sumAvg: 3.895 atom: 199 15D-H N 7.62 ambi=1 { N:119.6 } atom: 211 16T-HG2 G2 1.48 ambi=1 { CG2:23.8 } ::sumAvg: 4.965 atom: 207 16T-H N 7.56 ambi=1 { N:113.1 } atom: 210 16T-HG1 G1 6.25 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.76 atom: 207 16T-H N 7.56 ambi=1 { N:113.1 } atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } ::sumAvg: 4.8 atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } atom: 209 16T-HB B 3.91 ambi=1 { CB:71 } ::sumAvg: 4.71 atom: 217 17K-H N 8.83 ambi=1 { N:127.2 } atom: 210 16T-HG1 G1 6.25 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.775 atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } atom: 210 16T-HG1 G1 6.25 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.71 atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } atom: 232 18P-HA A 3.54 ambi=1 { CA:62 } ::sumAvg: 3.87 atom: 244 19D-H N 8.31 ambi=1 { N:120.3 } atom: 235 18P-QG G 1.99 ambi=2 { CG:27.1 } ::sumAvg: 4.535 atom: 244 19D-H N 8.31 ambi=1 { N:120.3 } atom: 253 20H-HA A 5.17 ambi=1 { CA:53.2 } ::sumAvg: 4.85 atom: 244 19D-H N 8.31 ambi=1 { N:120.3 } atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } :: atom: 244 19D-H N 8.31 ambi=1 { N:120.3 } atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } ::sumAvg: 4.97 atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } atom: 245 19D-HA A 4.74 ambi=1 { CA:52.3 } ::sumAvg: 4.435 atom: 252 20H-H N 8.62 ambi=1 { N:118.8 } atom: 259 21P-HA A 4.19 ambi=1 { CA:63.9 } ::sumAvg: 4.75 atom: 252 20H-H N 8.62 ambi=1 { N:118.8 } atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } ::sumAvg: 4.81 atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } atom: 253 20H-HA A 5.17 ambi=1 { CA:53.2 } ::sumAvg: 3.595 atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } :: atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } ::sumAvg: 4.19 atom: 271 22W-H N 8.34 ambi=1 { N:118.7 } atom: 275 22W-HD1 D1 7.39 ambi=1 { CD1:126.3 } ::sumAvg: 3.75 atom: 271 22W-H N 8.34 ambi=1 { N:118.7 } atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } ::sumAvg: 4.035 atom: 291 23E-H N 9.03 ambi=1 { N:128.4 } atom: 271 22W-H N 8.34 ambi=1 { N:118.7 } ::sumAvg: 4.315 atom: 271 22W-H N 8.34 ambi=1 { N:118.7 } atom: 319 25F-H N 7.01 ambi=1 { N:115.1 } ::sumAvg: 4.82 atom: 319 25F-H N 7.01 ambi=1 { N:115.1 } atom: 271 22W-H N 8.34 ambi=1 { N:118.7 } ::sumAvg: 4.82 atom: 271 22W-H N 8.34 ambi=1 { N:118.7 } atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } :: atom: 271 22W-H N 8.34 ambi=1 { N:118.7 } atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } ::sumAvg: 4.825 atom: 271 22W-H N 8.34 ambi=1 { N:118.7 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 271 22W-H N 8.34 ambi=1 { N:118.7 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 4.32 atom: 276 22W-HE1 E1 10.31 ambi=1 { NE1:130.2 } atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } :: atom: 276 22W-HE1 E1 10.31 ambi=1 { NE1:130.2 } atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } ::sumAvg: 4.97 atom: 319 25F-H N 7.01 ambi=1 { N:115.1 } atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } ::sumAvg: 4.72 atom: 291 23E-H N 9.03 ambi=1 { N:128.4 } atom: 306 24K-HG2 G 1.17 ambi=2 { CG:25.1 } :: atom: 291 23E-H N 9.03 ambi=1 { N:128.4 } atom: 307 24K-HG3 G 1 ambi=2 { CG:25.1 } ::sumAvg: 4.245 atom: 319 25F-H N 7.01 ambi=1 { N:115.1 } atom: 295 23E-HG2 G 2.33 ambi=2 { CG:35.4 } :: atom: 319 25F-H N 7.01 ambi=1 { N:115.1 } atom: 296 23E-HG3 G 2.27 ambi=2 { CG:35.4 } ::sumAvg: 4.865 atom: 462 37D-H N 7.89 ambi=1 { N:115.3 } atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } :: atom: 462 37D-H N 7.89 ambi=1 { N:115.3 } atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } ::sumAvg: 3.83 atom: 491 39W-HE1 E1 9.92 ambi=1 { NE1:128 } atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } :: atom: 491 39W-HE1 E1 9.92 ambi=1 { NE1:128 } atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } ::sumAvg: 4.515 atom: 302 24K-H N 8.5 ambi=1 { N:115.1 } atom: 310 24K-QE E 2.84 ambi=2 { CE:42.2 } ::sumAvg: 4.17 atom: 302 24K-H N 8.5 ambi=1 { N:115.1 } atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } :: atom: 302 24K-H N 8.5 ambi=1 { N:115.1 } atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } ::sumAvg: 4.755 atom: 302 24K-H N 8.5 ambi=1 { N:115.1 } atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } ::sumAvg: 4.11 atom: 319 25F-H N 7.01 ambi=1 { N:115.1 } atom: 306 24K-HG2 G 1.17 ambi=2 { CG:25.1 } :: atom: 319 25F-H N 7.01 ambi=1 { N:115.1 } atom: 307 24K-HG3 G 1 ambi=2 { CG:25.1 } ::sumAvg: 4.595 atom: 349 27D-H N 8.86 ambi=1 { N:114.4 } atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } ::sumAvg: 3.155 atom: 357 28Y-H N 8.3 ambi=1 { N:123.7 } atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } ::sumAvg: 4.245 atom: 349 27D-H N 8.86 ambi=1 { N:114.4 } atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } ::sumAvg: 4.805 atom: 357 28Y-H N 8.3 ambi=1 { N:123.7 } atom: 342 26P-HD2 D 3.26 ambi=2 { CD:50 } :: atom: 357 28Y-H N 8.3 ambi=1 { N:123.7 } atom: 343 26P-HD3 D 3.52 ambi=2 { CD:50 } ::sumAvg: 4.96 atom: 349 27D-H N 8.86 ambi=1 { N:114.4 } atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } :: atom: 349 27D-H N 8.86 ambi=1 { N:114.4 } atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } ::sumAvg: 4.63 atom: 357 28Y-H N 8.3 ambi=1 { N:123.7 } atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } :: atom: 357 28Y-H N 8.3 ambi=1 { N:123.7 } atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } ::sumAvg: 3.65 atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } :: atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } ::sumAvg: 4.84 atom: 357 28Y-H N 8.3 ambi=1 { N:123.7 } atom: 358 28Y-HA A 5.5 ambi=1 { CA:55.6 } ::sumAvg: 2.955 atom: 357 28Y-H N 8.3 ambi=1 { N:123.7 } atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } ::sumAvg: 4.685 atom: 357 28Y-H N 8.3 ambi=1 { N:123.7 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } ::sumAvg: 4.57 atom: 373 29A-H N 9.24 ambi=1 { N:126 } atom: 357 28Y-H N 8.3 ambi=1 { N:123.7 } ::sumAvg: 4.57 atom: 373 29A-H N 9.24 ambi=1 { N:126 } atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } ::sumAvg: 4.365 atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } ::sumAvg: 4.365 atom: 373 29A-H N 9.24 ambi=1 { N:126 } atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } ::sumAvg: 4.875 atom: 373 29A-H N 9.24 ambi=1 { N:126 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 373 29A-H N 9.24 ambi=1 { N:126 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 4.34 atom: 373 29A-H N 9.24 ambi=1 { N:126 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } ::sumAvg: 4.8 atom: 373 29A-H N 9.24 ambi=1 { N:126 } atom: 521 42L-HA A 5.2 ambi=1 { CA:54.1 } ::sumAvg: 4.895 atom: 373 29A-H N 9.24 ambi=1 { N:126 } atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } ::sumAvg: 4.85 atom: 373 29A-H N 9.24 ambi=1 { N:126 } atom: 548 44M-H N 8.8 ambi=1 { N:122.8 } ::sumAvg: 4.98 atom: 548 44M-H N 8.8 ambi=1 { N:122.8 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } ::sumAvg: 4.98 atom: 373 29A-H N 9.24 ambi=1 { N:126 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } ::sumAvg: 4.55 atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } ::sumAvg: 4.835 atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } ::sumAvg: 4.99 atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } ::sumAvg: 4.44 atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } ::sumAvg: 4.44 atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } ::sumAvg: 4.9 atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } ::sumAvg: 4.92 atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } ::sumAvg: 4.92 atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } ::sumAvg: 3.475 atom: 417 32R-HE E 7.51 ambi=1 { NE:84.4 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 417 32R-HE E 7.51 ambi=1 { NE:84.4 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 4.8 atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 3.45 atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 4.225 atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } ::sumAvg: 4.61 atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } ::sumAvg: 4.32 atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } ::sumAvg: 4.32 atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } atom: 514 41A-HA A 5.58 ambi=1 { CA:52.9 } ::sumAvg: 4.96 atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } ::sumAvg: 3.355 atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } atom: 522 42L-HB2 B 1.64 ambi=2 { CB:45.9 } :: atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } atom: 523 42L-HB3 B 1.36 ambi=2 { CB:45.9 } ::sumAvg: 4.845 atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } atom: 525 42L-HD1 D1 0.88 ambi=2 { CD1:26.7 } :: atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } atom: 526 42L-HD2 D2 0.74 ambi=2 { CD2:23.6 } ::sumAvg: 4.505 atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } ::sumAvg: 4.57 atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } ::sumAvg: 4.57 atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } ::sumAvg: 4.305 atom: 520 42L-H N 8.3 ambi=1 { N:123.7 } atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } ::sumAvg: 4.44 atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } ::sumAvg: 3.675 atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } atom: 427 33H-HA A 4.71 ambi=1 { CA:56.5 } ::sumAvg: 4.745 atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } atom: 413 32R-HG2 G 1.63 ambi=2 { CG:27.9 } :: atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } atom: 414 32R-HG3 G 1.25 ambi=2 { CG:27.9 } ::sumAvg: 3.58 atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } atom: 415 32R-HD2 D 3.1 ambi=2 { CD:43.1 } :: atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } atom: 416 32R-HD3 D 3.06 ambi=2 { CD:43.1 } ::sumAvg: 4.89 atom: 417 32R-HE E 7.51 ambi=1 { NE:84.4 } atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } ::sumAvg: 4.735 atom: 491 39W-HE1 E1 9.92 ambi=1 { NE1:128 } atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } ::sumAvg: 4.81 atom: 417 32R-HE E 7.51 ambi=1 { NE:84.4 } atom: 411 32R-HB2 B 1.64 ambi=2 { CB:34.2 } :: atom: 417 32R-HE E 7.51 ambi=1 { NE:84.4 } atom: 412 32R-HB3 B 1.57 ambi=2 { CB:34.2 } ::sumAvg: 3.6 atom: 426 33H-H N 8.56 ambi=1 { N:119.8 } atom: 411 32R-HB2 B 1.64 ambi=2 { CB:34.2 } :: atom: 426 33H-H N 8.56 ambi=1 { N:119.8 } atom: 412 32R-HB3 B 1.57 ambi=2 { CB:34.2 } ::sumAvg: 3.275 atom: 491 39W-HE1 E1 9.92 ambi=1 { NE1:128 } atom: 411 32R-HB2 B 1.64 ambi=2 { CB:34.2 } :: atom: 491 39W-HE1 E1 9.92 ambi=1 { NE1:128 } atom: 412 32R-HB3 B 1.57 ambi=2 { CB:34.2 } ::sumAvg: 4.69 atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } atom: 411 32R-HB2 B 1.64 ambi=2 { CB:34.2 } :: atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } atom: 412 32R-HB3 B 1.57 ambi=2 { CB:34.2 } ::sumAvg: 4.975 atom: 417 32R-HE E 7.51 ambi=1 { NE:84.4 } atom: 413 32R-HG2 G 1.63 ambi=2 { CG:27.9 } :: atom: 417 32R-HE E 7.51 ambi=1 { NE:84.4 } atom: 414 32R-HG3 G 1.25 ambi=2 { CG:27.9 } ::sumAvg: 3.11 atom: 426 33H-H N 8.56 ambi=1 { N:119.8 } atom: 413 32R-HG2 G 1.63 ambi=2 { CG:27.9 } :: atom: 426 33H-H N 8.56 ambi=1 { N:119.8 } atom: 414 32R-HG3 G 1.25 ambi=2 { CG:27.9 } ::sumAvg: 3.695 atom: 417 32R-HE E 7.51 ambi=1 { NE:84.4 } atom: 415 32R-HD2 D 3.1 ambi=2 { CD:43.1 } :: atom: 417 32R-HE E 7.51 ambi=1 { NE:84.4 } atom: 416 32R-HD3 D 3.06 ambi=2 { CD:43.1 } ::sumAvg: 2.675 atom: 426 33H-H N 8.56 ambi=1 { N:119.8 } atom: 427 33H-HA A 4.71 ambi=1 { CA:56.5 } ::sumAvg: 2.92 atom: 434 34S-H N 9.16 ambi=1 { N:118.7 } atom: 426 33H-H N 8.56 ambi=1 { N:119.8 } ::sumAvg: 4.42 atom: 426 33H-H N 8.56 ambi=1 { N:119.8 } atom: 463 37D-HA A 4.67 ambi=1 { CA:55.8 } ::sumAvg: 4.86 atom: 426 33H-H N 8.56 ambi=1 { N:119.8 } atom: 471 38K-HA A 4.39 ambi=1 { CA:56.7 } ::sumAvg: 4.78 atom: 426 33H-H N 8.56 ambi=1 { N:119.8 } atom: 491 39W-HE1 E1 9.92 ambi=1 { NE1:128 } ::sumAvg: 3.745 atom: 491 39W-HE1 E1 9.92 ambi=1 { NE1:128 } atom: 426 33H-H N 8.56 ambi=1 { N:119.8 } ::sumAvg: 3.745 atom: 434 34S-H N 9.16 ambi=1 { N:118.7 } atom: 444 35D-QB B 2.78 ambi=2 { CB:39.7 } ::sumAvg: 4.595 atom: 434 34S-H N 9.16 ambi=1 { N:118.7 } atom: 450 36N-H N 7.9 ambi=1 { N:116.2 } ::sumAvg: 4.14 atom: 450 36N-H N 7.9 ambi=1 { N:116.2 } atom: 434 34S-H N 9.16 ambi=1 { N:118.7 } ::sumAvg: 4.14 atom: 434 34S-H N 9.16 ambi=1 { N:118.7 } atom: 462 37D-H N 7.89 ambi=1 { N:115.3 } ::sumAvg: 4.975 atom: 462 37D-H N 7.89 ambi=1 { N:115.3 } atom: 434 34S-H N 9.16 ambi=1 { N:118.7 } ::sumAvg: 4.975 atom: 450 36N-H N 7.9 ambi=1 { N:116.2 } atom: 435 34S-HA A 4.39 ambi=1 { CA:60.4 } ::sumAvg: 4.45 atom: 442 35D-H N 8.66 ambi=1 { N:118.2 } atom: 452 36N-HB2 B 3.14 ambi=2 { CB:38.9 } :: atom: 442 35D-H N 8.66 ambi=1 { N:118.2 } atom: 453 36N-HB3 B 2.57 ambi=2 { CB:38.9 } ::sumAvg: 4.755 atom: 442 35D-H N 8.66 ambi=1 { N:118.2 } atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } :: atom: 442 35D-H N 8.66 ambi=1 { N:118.2 } atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } ::sumAvg: 4.625 atom: 462 37D-H N 7.89 ambi=1 { N:115.3 } atom: 443 35D-HA A 4.57 ambi=1 { CA:54.3 } ::sumAvg: 4.23 atom: 450 36N-H N 7.9 ambi=1 { N:116.2 } atom: 454 36N-HD21 D2 7.22 ambi=1 { ND2:109.3 } ::sumAvg: 4.81 atom: 450 36N-H N 7.9 ambi=1 { N:116.2 } atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } :: atom: 450 36N-H N 7.9 ambi=1 { N:116.2 } atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } ::sumAvg: 3.51 atom: 454 36N-HD21 D2 7.22 ambi=1 { ND2:109.3 } atom: 451 36N-HA A 4.66 ambi=1 { CA:52 } :: atom: 455 36N-HD22 D2 6.74 ambi=1 { ND2:109.3 } atom: 451 36N-HA A 4.66 ambi=1 { CA:52 } ::sumAvg: 3.25 atom: 470 38K-H N 8.31 ambi=1 { N:119.3 } atom: 452 36N-HB2 B 3.14 ambi=2 { CB:38.9 } :: atom: 470 38K-H N 8.31 ambi=1 { N:119.3 } atom: 453 36N-HB3 B 2.57 ambi=2 { CB:38.9 } ::sumAvg: 4.015 atom: 1380 118L-H N 8.38 ambi=1 { N:122.6 } atom: 452 36N-HB2 B 3.14 ambi=2 { CB:38.9 } :: atom: 1380 118L-H N 8.38 ambi=1 { N:122.6 } atom: 453 36N-HB3 B 2.57 ambi=2 { CB:38.9 } ::sumAvg: 4.21 atom: 454 36N-HD21 D2 7.22 ambi=1 { ND2:109.3 } atom: 1364 117R-HA A 3.06 ambi=1 { CA:55.9 } :: atom: 455 36N-HD22 D2 6.74 ambi=1 { ND2:109.3 } atom: 1364 117R-HA A 3.06 ambi=1 { CA:55.9 } ::sumAvg: 4.355 atom: 454 36N-HD21 D2 7.22 ambi=1 { ND2:109.3 } atom: 1380 118L-H N 8.38 ambi=1 { N:122.6 } :: atom: 455 36N-HD22 D2 6.74 ambi=1 { ND2:109.3 } atom: 1380 118L-H N 8.38 ambi=1 { N:122.6 } ::sumAvg: 4 atom: 454 36N-HD21 D2 7.22 ambi=1 { ND2:109.3 } atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } :: atom: 454 36N-HD21 D2 7.22 ambi=1 { ND2:109.3 } atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } :: atom: 455 36N-HD22 D2 6.74 ambi=1 { ND2:109.3 } atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } :: atom: 455 36N-HD22 D2 6.74 ambi=1 { ND2:109.3 } atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } ::sumAvg: 3.18 atom: 454 36N-HD21 D2 7.22 ambi=1 { ND2:109.3 } atom: 1394 119E-H N 8.33 ambi=1 { N:124 } :: atom: 455 36N-HD22 D2 6.74 ambi=1 { ND2:109.3 } atom: 1394 119E-H N 8.33 ambi=1 { N:124 } ::sumAvg: 4.64 atom: 675 55G-H N 8.24 ambi=1 { N:110.2 } atom: 651 53I-HB B 1.45 ambi=1 { CB:38.7 } ::sumAvg: 4.26 atom: 491 39W-HE1 E1 9.92 ambi=1 { NE1:128 } atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } :: atom: 491 39W-HE1 E1 9.92 ambi=1 { NE1:128 } atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } ::sumAvg: 4.895 atom: 505 40Y-H N 9.27 ambi=1 { N:114 } atom: 490 39W-HD1 D1 7.15 ambi=1 { CD1:124.7 } ::sumAvg: 4.71 atom: 505 40Y-H N 9.27 ambi=1 { N:114 } atom: 492 39W-HE3 E3 7.11 ambi=1 { CE3:120.2 } ::sumAvg: 4.635 atom: 505 40Y-H N 9.27 ambi=1 { N:114 } atom: 507 40Y-HB2 B 2.97 ambi=2 { CB:40.3 } :: atom: 505 40Y-H N 9.27 ambi=1 { N:114 } atom: 508 40Y-HB3 B 2.84 ambi=2 { CB:40.3 } ::sumAvg: 2.76 atom: 505 40Y-H N 9.27 ambi=1 { N:114 } atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } ::sumAvg: 4.305 atom: 505 40Y-H N 9.27 ambi=1 { N:114 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } ::sumAvg: 3.695 atom: 505 40Y-H N 9.27 ambi=1 { N:114 } atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } :: atom: 505 40Y-H N 9.27 ambi=1 { N:114 } atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } ::sumAvg: 4.235 atom: 505 40Y-H N 9.27 ambi=1 { N:114 } atom: 786 65K-HE2 E 2.86 ambi=2 { CE:42.4 } :: atom: 505 40Y-H N 9.27 ambi=1 { N:114 } atom: 787 65K-HE3 E 2.75 ambi=2 { CE:42.4 } ::sumAvg: 4.905 atom: 505 40Y-H N 9.27 ambi=1 { N:114 } atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } ::sumAvg: 4.535 atom: 505 40Y-H N 9.27 ambi=1 { N:114 } atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } ::sumAvg: 3.21 atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } atom: 507 40Y-HB2 B 2.97 ambi=2 { CB:40.3 } :: atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } atom: 508 40Y-HB3 B 2.84 ambi=2 { CB:40.3 } ::sumAvg: 3.825 atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } atom: 520 42L-H N 8.3 ambi=1 { N:123.7 } ::sumAvg: 4.23 atom: 520 42L-H N 8.3 ambi=1 { N:123.7 } atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } ::sumAvg: 4.23 atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } atom: 521 42L-HA A 5.2 ambi=1 { CA:54.1 } ::sumAvg: 4.73 atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } atom: 525 42L-HD1 D1 0.88 ambi=2 { CD1:26.7 } :: atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } atom: 526 42L-HD2 D2 0.74 ambi=2 { CD2:23.6 } ::sumAvg: 4.53 atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } ::sumAvg: 4.825 atom: 520 42L-H N 8.3 ambi=1 { N:123.7 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } ::sumAvg: 4.28 atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } atom: 520 42L-H N 8.3 ambi=1 { N:123.7 } ::sumAvg: 4.28 atom: 520 42L-H N 8.3 ambi=1 { N:123.7 } atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } ::sumAvg: 4.855 atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } ::sumAvg: 2.995 atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } atom: 548 44M-H N 8.8 ambi=1 { N:122.8 } ::sumAvg: 4.33 atom: 548 44M-H N 8.8 ambi=1 { N:122.8 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } ::sumAvg: 4.33 atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } ::sumAvg: 4.875 atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } ::sumAvg: 4.14 atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } ::sumAvg: 4.735 atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 4.705 atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } ::sumAvg: 4.74 atom: 753 62I-H N 8.53 ambi=1 { N:112 } atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } ::sumAvg: 4.95 atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } ::sumAvg: 4.805 atom: 548 44M-H N 8.8 ambi=1 { N:122.8 } atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } ::sumAvg: 4.4 atom: 548 44M-H N 8.8 ambi=1 { N:122.8 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } ::sumAvg: 4.765 atom: 548 44M-H N 8.8 ambi=1 { N:122.8 } atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } ::sumAvg: 4.765 atom: 548 44M-H N 8.8 ambi=1 { N:122.8 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 548 44M-H N 8.8 ambi=1 { N:122.8 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } ::sumAvg: 4.96 atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } ::sumAvg: 4.995 atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } :: atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } ::sumAvg: 4.895 atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } ::sumAvg: 4.035 atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } ::sumAvg: 4.43 atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } ::sumAvg: 4.965 atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } ::sumAvg: 4.85 atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } ::sumAvg: 4.92 atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } ::sumAvg: 4.92 atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } :: atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } ::sumAvg: 4.765 atom: 734 60D-H N 8.29 ambi=1 { N:120.7 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } ::sumAvg: 4.785 atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } ::sumAvg: 3.185 atom: 723 59V-H N 9.03 ambi=1 { N:115.6 } atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } :: atom: 723 59V-H N 9.03 ambi=1 { N:115.6 } atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } ::sumAvg: 4.795 atom: 569 46I-H N 8.8 ambi=1 { N:117.4 } atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } ::sumAvg: 2.98 atom: 569 46I-H N 8.8 ambi=1 { N:117.4 } atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } ::sumAvg: 2.945 atom: 569 46I-H N 8.8 ambi=1 { N:117.4 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 4 atom: 569 46I-H N 8.8 ambi=1 { N:117.4 } atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } :: atom: 569 46I-H N 8.8 ambi=1 { N:117.4 } atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } ::sumAvg: 4.83 atom: 569 46I-H N 8.8 ambi=1 { N:117.4 } atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } ::sumAvg: 4.895 atom: 569 46I-H N 8.8 ambi=1 { N:117.4 } atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } ::sumAvg: 4.53 atom: 723 59V-H N 9.03 ambi=1 { N:115.6 } atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } ::sumAvg: 4.61 atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } ::sumAvg: 4.415 atom: 629 51I-H N 7.19 ambi=1 { N:109 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 4.035 atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 4.995 atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } ::sumAvg: 4.71 atom: 594 48A-H N 8.55 ambi=1 { N:130.1 } atom: 585 47P-HG2 G 1.97 ambi=2 { CG:28.4 } :: atom: 594 48A-H N 8.55 ambi=1 { N:130.1 } atom: 586 47P-HG3 G 2.09 ambi=2 { CG:28.4 } ::sumAvg: 4.92 atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } :: atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } ::sumAvg: 4.39 atom: 594 48A-H N 8.55 ambi=1 { N:130.1 } atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } ::sumAvg: 4.78 atom: 594 48A-H N 8.55 ambi=1 { N:130.1 } atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } ::sumAvg: 4.205 atom: 594 48A-H N 8.55 ambi=1 { N:130.1 } atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } :: atom: 594 48A-H N 8.55 ambi=1 { N:130.1 } atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } ::sumAvg: 4.975 atom: 643 52G-H N 7.37 ambi=1 { N:106.9 } atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } ::sumAvg: 4.86 atom: 649 53I-H N 7.26 ambi=1 { N:121.9 } atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } ::sumAvg: 4.15 atom: 723 59V-H N 9.03 ambi=1 { N:115.6 } atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } ::sumAvg: 4.665 atom: 629 51I-H N 7.19 ambi=1 { N:109 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 4.36 atom: 643 52G-H N 7.37 ambi=1 { N:106.9 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 4.85 atom: 706 58R-H N 8.41 ambi=1 { N:120.9 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 4.965 atom: 723 59V-H N 9.03 ambi=1 { N:115.6 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 4.535 atom: 601 49E-H N 8.7 ambi=1 { N:114.9 } atom: 629 51I-H N 7.19 ambi=1 { N:109 } ::sumAvg: 4.265 atom: 601 49E-H N 8.7 ambi=1 { N:114.9 } atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } :: atom: 601 49E-H N 8.7 ambi=1 { N:114.9 } atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } ::sumAvg: 4.88 atom: 601 49E-H N 8.7 ambi=1 { N:114.9 } atom: 649 53I-H N 7.26 ambi=1 { N:121.9 } ::sumAvg: 4.68 atom: 649 53I-H N 7.26 ambi=1 { N:121.9 } atom: 601 49E-H N 8.7 ambi=1 { N:114.9 } ::sumAvg: 4.68 atom: 601 49E-H N 8.7 ambi=1 { N:114.9 } atom: 675 55G-H N 8.24 ambi=1 { N:110.2 } ::sumAvg: 4.985 atom: 675 55G-H N 8.24 ambi=1 { N:110.2 } atom: 601 49E-H N 8.7 ambi=1 { N:114.9 } ::sumAvg: 4.985 atom: 601 49E-H N 8.7 ambi=1 { N:114.9 } atom: 682 56D-HA A 4.7 ambi=1 { CA:53.4 } ::sumAvg: 2.96 atom: 601 49E-H N 8.7 ambi=1 { N:114.9 } atom: 689 57K-H N 7.78 ambi=1 { N:119.5 } ::sumAvg: 4.08 atom: 689 57K-H N 7.78 ambi=1 { N:119.5 } atom: 601 49E-H N 8.7 ambi=1 { N:114.9 } ::sumAvg: 4.08 atom: 629 51I-H N 7.19 ambi=1 { N:109 } atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } ::sumAvg: 4.795 atom: 681 56D-H N 8.32 ambi=1 { N:119 } atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } ::sumAvg: 4.025 atom: 689 57K-H N 7.78 ambi=1 { N:119.5 } atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } ::sumAvg: 4.995 atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } ::sumAvg: 3.685 atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } atom: 620 50K-HE2 E 2.75 ambi=2 { CE:42.6 } :: atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } atom: 621 50K-HE3 E 2.86 ambi=2 { CE:42.6 } ::sumAvg: 4.675 atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } atom: 649 53I-H N 7.26 ambi=1 { N:121.9 } ::sumAvg: 4.82 atom: 649 53I-H N 7.26 ambi=1 { N:121.9 } atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } ::sumAvg: 4.82 atom: 629 51I-H N 7.19 ambi=1 { N:109 } atom: 652 53I-HG12 G1 0.85 ambi=2 { CG1:27.8 } :: atom: 629 51I-H N 7.19 ambi=1 { N:109 } atom: 653 53I-HG13 G1 1.22 ambi=2 { CG1:27.8 } ::sumAvg: 4.895 atom: 629 51I-H N 7.19 ambi=1 { N:109 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } :: atom: 629 51I-H N 7.19 ambi=1 { N:109 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } ::sumAvg: 4.725 atom: 649 53I-H N 7.26 ambi=1 { N:121.9 } atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } ::sumAvg: 4.78 atom: 649 53I-H N 7.26 ambi=1 { N:121.9 } atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } ::sumAvg: 4.125 atom: 643 52G-H N 7.37 ambi=1 { N:106.9 } atom: 652 53I-HG12 G1 0.85 ambi=2 { CG1:27.8 } :: atom: 643 52G-H N 7.37 ambi=1 { N:106.9 } atom: 653 53I-HG13 G1 1.22 ambi=2 { CG1:27.8 } ::sumAvg: 4.415 atom: 667 54N-HD21 D2 7.6 ambi=1 { ND2:113 } atom: 654 53I-HG2 G2 0.79 ambi=1 { CG2:16.8 } ::sumAvg: 4.715 atom: 667 54N-HD21 D2 7.6 ambi=1 { ND2:113 } atom: 663 54N-H N 8.28 ambi=1 { N:123.3 } ::sumAvg: 4.755 atom: 667 54N-HD21 D2 7.6 ambi=1 { ND2:113 } atom: 664 54N-HA A 4.54 ambi=1 { CA:53.7 } :: atom: 668 54N-HD22 D2 6.93 ambi=1 { ND2:113 } atom: 664 54N-HA A 4.54 ambi=1 { CA:53.7 } ::sumAvg: 4.285 atom: 667 54N-HD21 D2 7.6 ambi=1 { ND2:113 } atom: 668 54N-HD22 D2 6.93 ambi=1 { ND2:113 } :: atom: 668 54N-HD22 D2 6.93 ambi=1 { ND2:113 } atom: 667 54N-HD21 D2 7.6 ambi=1 { ND2:113 } ::sumAvg: 1.8 atom: 668 54N-HD22 D2 6.93 ambi=1 { ND2:113 } atom: 667 54N-HD21 D2 7.6 ambi=1 { ND2:113 } :: atom: 667 54N-HD21 D2 7.6 ambi=1 { ND2:113 } atom: 668 54N-HD22 D2 6.93 ambi=1 { ND2:113 } ::sumAvg: 1.8 atom: 675 55G-H N 8.24 ambi=1 { N:110.2 } atom: 682 56D-HA A 4.7 ambi=1 { CA:53.4 } ::sumAvg: 4.705 atom: 675 55G-H N 8.24 ambi=1 { N:110.2 } atom: 689 57K-H N 7.78 ambi=1 { N:119.5 } ::sumAvg: 4.36 atom: 689 57K-H N 7.78 ambi=1 { N:119.5 } atom: 675 55G-H N 8.24 ambi=1 { N:110.2 } ::sumAvg: 4.36 atom: 1150 97N-HD22 D2 7.13 ambi=1 { ND2:113.6 } atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } ::sumAvg: 4.91 atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } atom: 725 59V-HB B 1.95 ambi=1 { CB:34.7 } ::sumAvg: 4.025 atom: 689 57K-H N 7.78 ambi=1 { N:119.5 } atom: 695 57K-QD D 1.62 ambi=2 { CD:28.9 } ::sumAvg: 3.995 atom: 689 57K-H N 7.78 ambi=1 { N:119.5 } atom: 706 58R-H N 8.41 ambi=1 { N:120.9 } ::sumAvg: 4.53 atom: 706 58R-H N 8.41 ambi=1 { N:120.9 } atom: 712 58R-HD2 D 3.2 ambi=2 { CD:43.9 } :: atom: 706 58R-H N 8.41 ambi=1 { N:120.9 } atom: 713 58R-HD3 D 3.02 ambi=2 { CD:43.9 } ::sumAvg: 4.44 atom: 714 58R-HE E 7.79 ambi=1 { NE:85.8 } atom: 706 58R-H N 8.41 ambi=1 { N:120.9 } ::sumAvg: 4.695 atom: 714 58R-HE E 7.79 ambi=1 { NE:85.8 } atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } ::sumAvg: 4.225 atom: 714 58R-HE E 7.79 ambi=1 { NE:85.8 } atom: 708 58R-HB2 B 1.61 ambi=2 { CB:31.7 } :: atom: 714 58R-HE E 7.79 ambi=1 { NE:85.8 } atom: 709 58R-HB3 B 1.57 ambi=2 { CB:31.7 } ::sumAvg: 2.68 atom: 714 58R-HE E 7.79 ambi=1 { NE:85.8 } atom: 710 58R-HG2 G 1.32 ambi=2 { CG:26.7 } :: atom: 714 58R-HE E 7.79 ambi=1 { NE:85.8 } atom: 711 58R-HG3 G 1.59 ambi=2 { CG:26.7 } ::sumAvg: 3.025 atom: 714 58R-HE E 7.79 ambi=1 { NE:85.8 } atom: 712 58R-HD2 D 3.2 ambi=2 { CD:43.9 } :: atom: 714 58R-HE E 7.79 ambi=1 { NE:85.8 } atom: 713 58R-HD3 D 3.02 ambi=2 { CD:43.9 } ::sumAvg: 2.67 atom: 723 59V-H N 9.03 ambi=1 { N:115.6 } atom: 712 58R-HD2 D 3.2 ambi=2 { CD:43.9 } :: atom: 723 59V-H N 9.03 ambi=1 { N:115.6 } atom: 713 58R-HD3 D 3.02 ambi=2 { CD:43.9 } ::sumAvg: 4.885 atom: 723 59V-H N 9.03 ambi=1 { N:115.6 } atom: 734 60D-H N 8.29 ambi=1 { N:120.7 } ::sumAvg: 4.48 atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } :: atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } ::sumAvg: 4.955 atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } :: atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } ::sumAvg: 4.815 atom: 896 75R-H N 7.85 ambi=1 { N:113.3 } atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } ::sumAvg: 4.91 atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 734 60D-H N 8.29 ambi=1 { N:120.7 } ::sumAvg: 4.54 atom: 734 60D-H N 8.29 ambi=1 { N:120.7 } atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } :: atom: 734 60D-H N 8.29 ambi=1 { N:120.7 } atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } ::sumAvg: 4.115 atom: 734 60D-H N 8.29 ambi=1 { N:120.7 } atom: 1149 97N-HD21 D2 7.68 ambi=1 { ND2:113.6 } :: atom: 734 60D-H N 8.29 ambi=1 { N:120.7 } atom: 1150 97N-HD22 D2 7.13 ambi=1 { ND2:113.6 } ::sumAvg: 3.905 atom: 1149 97N-HD21 D2 7.68 ambi=1 { ND2:113.6 } atom: 734 60D-H N 8.29 ambi=1 { N:120.7 } :: atom: 1150 97N-HD22 D2 7.13 ambi=1 { ND2:113.6 } atom: 734 60D-H N 8.29 ambi=1 { N:120.7 } ::sumAvg: 3.905 atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } ::sumAvg: 4.12 atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } ::sumAvg: 4.245 atom: 1149 97N-HD21 D2 7.68 ambi=1 { ND2:113.6 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 1150 97N-HD22 D2 7.13 ambi=1 { ND2:113.6 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 1149 97N-HD21 D2 7.68 ambi=1 { ND2:113.6 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } :: atom: 1150 97N-HD22 D2 7.13 ambi=1 { ND2:113.6 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } ::sumAvg: 3.835 atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } ::sumAvg: 3.915 atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 753 62I-H N 8.53 ambi=1 { N:112 } ::sumAvg: 4.465 atom: 753 62I-H N 8.53 ambi=1 { N:112 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } ::sumAvg: 4.465 atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 4.28 atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 4.49 atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } ::sumAvg: 4.58 atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } ::sumAvg: 4.58 atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } :: atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } ::sumAvg: 4.76 atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } ::sumAvg: 4.68 atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } ::sumAvg: 4.585 atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } ::sumAvg: 4.545 atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } :: atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } ::sumAvg: 4.47 atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } :: atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } ::sumAvg: 3.19 atom: 753 62I-H N 8.53 ambi=1 { N:112 } atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } ::sumAvg: 3.85 atom: 753 62I-H N 8.53 ambi=1 { N:112 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } ::sumAvg: 3.905 atom: 753 62I-H N 8.53 ambi=1 { N:112 } atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } ::sumAvg: 4.43 atom: 753 62I-H N 8.53 ambi=1 { N:112 } atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } ::sumAvg: 4.99 atom: 753 62I-H N 8.53 ambi=1 { N:112 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 3.94 atom: 753 62I-H N 8.53 ambi=1 { N:112 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } ::sumAvg: 4.765 atom: 753 62I-H N 8.53 ambi=1 { N:112 } atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } :: atom: 753 62I-H N 8.53 ambi=1 { N:112 } atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } ::sumAvg: 4.225 atom: 753 62I-H N 8.53 ambi=1 { N:112 } atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } ::sumAvg: 4.99 atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } atom: 753 62I-H N 8.53 ambi=1 { N:112 } ::sumAvg: 4.99 atom: 753 62I-H N 8.53 ambi=1 { N:112 } atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } ::sumAvg: 3.805 atom: 753 62I-H N 8.53 ambi=1 { N:112 } atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } ::sumAvg: 4.085 atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 753 62I-H N 8.53 ambi=1 { N:112 } ::sumAvg: 4.085 atom: 753 62I-H N 8.53 ambi=1 { N:112 } atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } ::sumAvg: 3.43 atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 756 62I-HG12 G1 1.45 ambi=2 { CG1:25.7 } :: atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } ::sumAvg: 4.71 atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 4.57 atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } atom: 766 64L-HA A 4.96 ambi=1 { CA:53.5 } ::sumAvg: 4.84 atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } atom: 767 64L-HB2 B 1.47 ambi=2 { CB:47 } :: atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } atom: 768 64L-HB3 B 1.43 ambi=2 { CB:47 } ::sumAvg: 4.51 atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } ::sumAvg: 4.615 atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } :: atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } ::sumAvg: 3.28 atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } :: atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } ::sumAvg: 4.59 atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } atom: 795 66V-H N 7.84 ambi=1 { N:116 } ::sumAvg: 4.555 atom: 795 66V-H N 7.84 ambi=1 { N:116 } atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } ::sumAvg: 4.555 atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 4.16 atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } :: atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } ::sumAvg: 4.94 atom: 1071 91W-HE1 E1 10.31 ambi=1 { NE1:129.6 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } ::sumAvg: 4.545 atom: 1071 91W-HE1 E1 10.31 ambi=1 { NE1:129.6 } atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } :: atom: 1071 91W-HE1 E1 10.31 ambi=1 { NE1:129.6 } atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } ::sumAvg: 3.87 atom: 795 66V-H N 7.84 ambi=1 { N:116 } atom: 806 67Q-H N 8.62 ambi=1 { N:123 } ::sumAvg: 4.455 atom: 795 66V-H N 7.84 ambi=1 { N:116 } atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } ::sumAvg: 4.87 atom: 795 66V-H N 7.84 ambi=1 { N:116 } atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } :: atom: 795 66V-H N 7.84 ambi=1 { N:116 } atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } ::sumAvg: 4.315 atom: 795 66V-H N 7.84 ambi=1 { N:116 } atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } ::sumAvg: 4.3 atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } atom: 795 66V-H N 7.84 ambi=1 { N:116 } ::sumAvg: 4.3 atom: 882 74L-H N 8.34 ambi=1 { N:124.6 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 882 74L-H N 8.34 ambi=1 { N:124.6 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 4.415 atom: 896 75R-H N 7.85 ambi=1 { N:113.3 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 896 75R-H N 7.85 ambi=1 { N:113.3 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 4.925 atom: 1057 90H-H N 7.6 ambi=1 { N:111.5 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 1057 90H-H N 7.6 ambi=1 { N:111.5 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 4.88 atom: 1066 91W-H N 7.65 ambi=1 { N:117.4 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 1066 91W-H N 7.65 ambi=1 { N:117.4 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 4.39 atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 3.7 atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 4.855 atom: 812 67Q-HE21 E2 7.82 ambi=1 { NE2:112.6 } atom: 806 67Q-H N 8.62 ambi=1 { N:123 } ::sumAvg: 4.64 atom: 806 67Q-H N 8.62 ambi=1 { N:123 } atom: 832 69E-H N 9.62 ambi=1 { N:116.9 } ::sumAvg: 4.96 atom: 832 69E-H N 9.62 ambi=1 { N:116.9 } atom: 806 67Q-H N 8.62 ambi=1 { N:123 } ::sumAvg: 4.96 atom: 806 67Q-H N 8.62 ambi=1 { N:123 } atom: 843 70L-H N 7.94 ambi=1 { N:118.7 } ::sumAvg: 3.71 atom: 843 70L-H N 7.94 ambi=1 { N:118.7 } atom: 806 67Q-H N 8.62 ambi=1 { N:123 } ::sumAvg: 3.71 atom: 806 67Q-H N 8.62 ambi=1 { N:123 } atom: 847 70L-HG G 1.46 ambi=1 { CG:27.3 } ::sumAvg: 3.71 atom: 806 67Q-H N 8.62 ambi=1 { N:123 } atom: 857 71V-H N 7.08 ambi=1 { N:120.3 } ::sumAvg: 4.8 atom: 857 71V-H N 7.08 ambi=1 { N:120.3 } atom: 806 67Q-H N 8.62 ambi=1 { N:123 } ::sumAvg: 4.8 atom: 812 67Q-HE21 E2 7.82 ambi=1 { NE2:112.6 } atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } :: atom: 813 67Q-HE22 E2 6.9 ambi=1 { NE2:112.6 } atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } ::sumAvg: 4.31 atom: 843 70L-H N 7.94 ambi=1 { N:118.7 } atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } ::sumAvg: 4.29 atom: 812 67Q-HE21 E2 7.82 ambi=1 { NE2:112.6 } atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } :: atom: 812 67Q-HE21 E2 7.82 ambi=1 { NE2:112.6 } atom: 826 68P-HD3 D 3.97 ambi=2 { CD:50.9 } ::sumAvg: 4.955 atom: 812 67Q-HE21 E2 7.82 ambi=1 { NE2:112.6 } atom: 847 70L-HG G 1.46 ambi=1 { CG:27.3 } ::sumAvg: 4.625 atom: 812 67Q-HE21 E2 7.82 ambi=1 { NE2:112.6 } atom: 1340 115L-HA A 4.09 ambi=1 { CA:57.3 } ::sumAvg: 4.88 atom: 843 70L-H N 7.94 ambi=1 { N:118.7 } atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } :: atom: 843 70L-H N 7.94 ambi=1 { N:118.7 } atom: 826 68P-HD3 D 3.97 ambi=2 { CD:50.9 } ::sumAvg: 4.57 atom: 832 69E-H N 9.62 ambi=1 { N:116.9 } atom: 845 70L-HB2 B 1.71 ambi=2 { CB:42.8 } :: atom: 832 69E-H N 9.62 ambi=1 { N:116.9 } atom: 846 70L-HB3 B 1.54 ambi=2 { CB:42.8 } ::sumAvg: 4.54 atom: 868 72G-H N 8.54 ambi=1 { N:105.3 } atom: 843 70L-H N 7.94 ambi=1 { N:118.7 } ::sumAvg: 4.5 atom: 868 72G-H N 8.54 ambi=1 { N:105.3 } atom: 844 70L-HA A 4.46 ambi=1 { CA:54.5 } ::sumAvg: 3.805 atom: 882 74L-H N 8.34 ambi=1 { N:124.6 } atom: 845 70L-HB2 B 1.71 ambi=2 { CB:42.8 } :: atom: 882 74L-H N 8.34 ambi=1 { N:124.6 } atom: 846 70L-HB3 B 1.54 ambi=2 { CB:42.8 } ::sumAvg: 4.485 atom: 857 71V-H N 7.08 ambi=1 { N:120.3 } atom: 869 72G-HA2 A 3.77 ambi=2 { CA:47 } :: atom: 857 71V-H N 7.08 ambi=1 { N:120.3 } atom: 870 72G-HA3 A 3.63 ambi=2 { CA:47 } ::sumAvg: 4.96 atom: 857 71V-H N 7.08 ambi=1 { N:120.3 } atom: 874 73S-H N 7.87 ambi=1 { N:115.7 } ::sumAvg: 4.27 atom: 874 73S-H N 7.87 ambi=1 { N:115.7 } atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } ::sumAvg: 4.33 atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } atom: 860 71V-HG1 G1 0.75 ambi=2 { CG1:23.4 } :: atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } atom: 861 71V-HG2 G2 0.88 ambi=2 { CG2:21.3 } ::sumAvg: 4.12 atom: 1046 89E-H N 8.39 ambi=1 { N:117 } atom: 860 71V-HG1 G1 0.75 ambi=2 { CG1:23.4 } :: atom: 1046 89E-H N 8.39 ambi=1 { N:117 } atom: 861 71V-HG2 G2 0.88 ambi=2 { CG2:21.3 } ::sumAvg: 4.36 atom: 868 72G-H N 8.54 ambi=1 { N:105.3 } atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } ::sumAvg: 4.685 atom: 896 75R-H N 7.85 ambi=1 { N:113.3 } atom: 868 72G-H N 8.54 ambi=1 { N:105.3 } ::sumAvg: 4.78 atom: 882 74L-H N 8.34 ambi=1 { N:124.6 } atom: 869 72G-HA2 A 3.77 ambi=2 { CA:47 } :: atom: 882 74L-H N 8.34 ambi=1 { N:124.6 } atom: 870 72G-HA3 A 3.63 ambi=2 { CA:47 } ::sumAvg: 4.695 atom: 882 74L-H N 8.34 ambi=1 { N:124.6 } atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } :: atom: 882 74L-H N 8.34 ambi=1 { N:124.6 } atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } ::sumAvg: 4.865 atom: 882 74L-H N 8.34 ambi=1 { N:124.6 } atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } :: atom: 882 74L-H N 8.34 ambi=1 { N:124.6 } atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } ::sumAvg: 4.84 atom: 896 75R-H N 7.85 ambi=1 { N:113.3 } atom: 915 76K-HB2 B 1.98 ambi=2 { CB:32.7 } :: atom: 896 75R-H N 7.85 ambi=1 { N:113.3 } atom: 916 76K-HB3 B 1.75 ambi=2 { CB:32.7 } ::sumAvg: 4.85 atom: 896 75R-H N 7.85 ambi=1 { N:113.3 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 4.065 atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } atom: 897 75R-HA A 3.75 ambi=1 { CA:57.8 } ::sumAvg: 4.985 atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } :: atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } ::sumAvg: 3.625 atom: 913 76K-H N 7.1 ambi=1 { N:116.6 } atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } :: atom: 913 76K-H N 7.1 ambi=1 { N:116.6 } atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } ::sumAvg: 3.08 atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } atom: 900 75R-HG2 G 1.42 ambi=2 { CG:27.9 } :: atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } atom: 901 75R-HG3 G 1.81 ambi=2 { CG:27.9 } ::sumAvg: 2.795 atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } ::sumAvg: 2.42 atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } ::sumAvg: 4.06 atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } atom: 994 82P-HB2 B 2.31 ambi=2 { CB:32 } :: atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } atom: 995 82P-HB3 B 1.92 ambi=2 { CB:32 } ::sumAvg: 3.375 atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } atom: 996 82P-HG2 G 1.97 ambi=2 { CG:28.3 } :: atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } atom: 997 82P-HG3 G 2.25 ambi=2 { CG:28.3 } ::sumAvg: 2.685 atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } atom: 998 82P-HD2 D 3.98 ambi=2 { CD:51.1 } :: atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } atom: 999 82P-HD3 D 3.9 ambi=2 { CD:51.1 } ::sumAvg: 3.4 atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } atom: 1037 88K-QE E 3.07 ambi=2 { CE:42.4 } ::sumAvg: 4.53 atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } ::sumAvg: 4.68 atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } ::sumAvg: 3.925 atom: 930 77K-H N 7.83 ambi=1 { N:122.9 } atom: 919 76K-QD D 1.64 ambi=2 { CD:29.2 } ::sumAvg: 3.575 atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } ::sumAvg: 4.35 atom: 930 77K-H N 7.83 ambi=1 { N:122.9 } atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } ::sumAvg: 3.895 atom: 930 77K-H N 7.83 ambi=1 { N:122.9 } atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } ::sumAvg: 4.375 atom: 930 77K-H N 7.83 ambi=1 { N:122.9 } atom: 938 77K-QE E 3.09 ambi=2 { CE:42.5 } ::sumAvg: 4.585 atom: 930 77K-H N 7.83 ambi=1 { N:122.9 } atom: 951 78P-QD D 3.93 ambi=2 { CD:51 } ::sumAvg: 4.365 atom: 930 77K-H N 7.83 ambi=1 { N:122.9 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 4.565 atom: 958 79G-H N 8.29 ambi=1 { N:109.3 } atom: 949 78P-QG G 2.06 ambi=2 { CG:28.1 } ::sumAvg: 4.585 atom: 958 79G-H N 8.29 ambi=1 { N:109.3 } atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } ::sumAvg: 4.955 atom: 958 79G-H N 8.29 ambi=1 { N:109.3 } atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } ::sumAvg: 3.61 atom: 1174 100L-H N 7.75 ambi=1 { N:120.3 } atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } :: atom: 1174 100L-H N 7.75 ambi=1 { N:120.3 } atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } ::sumAvg: 3.435 atom: 964 80I-H N 7.3 ambi=1 { N:119.2 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 3.815 atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } atom: 964 80I-H N 7.3 ambi=1 { N:119.2 } ::sumAvg: 4.435 atom: 964 80I-H N 7.3 ambi=1 { N:119.2 } atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } ::sumAvg: 4.73 atom: 964 80I-H N 7.3 ambi=1 { N:119.2 } atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } ::sumAvg: 4.97 atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } atom: 964 80I-H N 7.3 ambi=1 { N:119.2 } ::sumAvg: 4.97 atom: 1099 93T-H N 8.57 ambi=1 { N:117.6 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 4 atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 4.555 atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } ::sumAvg: 4.47 atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } ::sumAvg: 2.99 atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } ::sumAvg: 4.825 atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } atom: 998 82P-HD2 D 3.98 ambi=2 { CD:51.1 } :: atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } atom: 999 82P-HD3 D 3.9 ambi=2 { CD:51.1 } ::sumAvg: 4.765 atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 4.375 atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } ::sumAvg: 3.09 atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } ::sumAvg: 3.995 atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } ::sumAvg: 3.995 atom: 1099 93T-H N 8.57 ambi=1 { N:117.6 } atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } :: atom: 1099 93T-H N 8.57 ambi=1 { N:117.6 } atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } ::sumAvg: 4.55 atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } ::sumAvg: 3.505 atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } ::sumAvg: 4.205 atom: 1099 93T-H N 8.57 ambi=1 { N:117.6 } atom: 1004 83A-HA A 4.14 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.19 atom: 1029 88K-H N 8.71 ambi=1 { N:123.8 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.745 atom: 1066 91W-H N 7.65 ambi=1 { N:117.4 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.29 atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.375 atom: 1099 93T-H N 8.57 ambi=1 { N:117.6 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.56 atom: 1057 90H-H N 7.6 ambi=1 { N:111.5 } atom: 1019 87N-HA A 4.41 ambi=1 { CA:55.1 } ::sumAvg: 4.56 atom: 1029 88K-H N 8.71 ambi=1 { N:123.8 } atom: 1020 87N-HB2 B 3.01 ambi=2 { CB:40.6 } :: atom: 1029 88K-H N 8.71 ambi=1 { N:123.8 } atom: 1021 87N-HB3 B 2.86 ambi=2 { CB:40.6 } ::sumAvg: 3.005 atom: 1029 88K-H N 8.71 ambi=1 { N:123.8 } atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } ::sumAvg: 4.78 atom: 1029 88K-H N 8.71 ambi=1 { N:123.8 } atom: 1057 90H-H N 7.6 ambi=1 { N:111.5 } ::sumAvg: 4.075 atom: 1057 90H-H N 7.6 ambi=1 { N:111.5 } atom: 1029 88K-H N 8.71 ambi=1 { N:123.8 } ::sumAvg: 4.075 atom: 1029 88K-H N 8.71 ambi=1 { N:123.8 } atom: 1066 91W-H N 7.65 ambi=1 { N:117.4 } ::sumAvg: 3.89 atom: 1066 91W-H N 7.65 ambi=1 { N:117.4 } atom: 1029 88K-H N 8.71 ambi=1 { N:123.8 } ::sumAvg: 3.89 atom: 1029 88K-H N 8.71 ambi=1 { N:123.8 } atom: 1068 91W-HB2 B 2.92 ambi=2 { CB:31.7 } :: atom: 1029 88K-H N 8.71 ambi=1 { N:123.8 } atom: 1069 91W-HB3 B 2.88 ambi=2 { CB:31.7 } ::sumAvg: 4.33 atom: 1046 89E-H N 8.39 ambi=1 { N:117 } atom: 1031 88K-HB2 B 2 ambi=2 { CB:33 } :: atom: 1046 89E-H N 8.39 ambi=1 { N:117 } atom: 1032 88K-HB3 B 1.91 ambi=2 { CB:33 } ::sumAvg: 3.11 atom: 1046 89E-H N 8.39 ambi=1 { N:117 } atom: 1037 88K-QE E 3.07 ambi=2 { CE:42.4 } ::sumAvg: 4.77 atom: 1046 89E-H N 8.39 ambi=1 { N:117 } atom: 1058 90H-HA A 4.58 ambi=1 { CA:55.5 } ::sumAvg: 4.945 atom: 1046 89E-H N 8.39 ambi=1 { N:117 } atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } ::sumAvg: 3.96 atom: 1066 91W-H N 7.65 ambi=1 { N:117.4 } atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } ::sumAvg: 4.705 atom: 1066 91W-H N 7.65 ambi=1 { N:117.4 } atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } ::sumAvg: 4.795 atom: 1057 90H-H N 7.6 ambi=1 { N:111.5 } atom: 1050 89E-QG G 2.24 ambi=2 { CG:37.4 } ::sumAvg: 3.35 atom: 1066 91W-H N 7.65 ambi=1 { N:117.4 } atom: 1050 89E-QG G 2.24 ambi=2 { CG:37.4 } ::sumAvg: 4.91 atom: 1057 90H-H N 7.6 ambi=1 { N:111.5 } atom: 1068 91W-HB2 B 2.92 ambi=2 { CB:31.7 } :: atom: 1057 90H-H N 7.6 ambi=1 { N:111.5 } atom: 1069 91W-HB3 B 2.88 ambi=2 { CB:31.7 } ::sumAvg: 4.8 atom: 1066 91W-H N 7.65 ambi=1 { N:117.4 } atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } ::sumAvg: 4.445 atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } atom: 1066 91W-H N 7.65 ambi=1 { N:117.4 } ::sumAvg: 4.445 atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } ::sumAvg: 2.99 atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } ::sumAvg: 2.775 atom: 1099 93T-H N 8.57 ambi=1 { N:117.6 } atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } ::sumAvg: 4.445 atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } ::sumAvg: 4.75 atom: 1099 93T-H N 8.57 ambi=1 { N:117.6 } atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } ::sumAvg: 2.97 atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } :: atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } ::sumAvg: 4.84 atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } ::sumAvg: 3.58 atom: 1156 98G-H N 7.82 ambi=1 { N:108.6 } atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } ::sumAvg: 4.67 atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } :: atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } ::sumAvg: 4.27 atom: 1156 98G-H N 7.82 ambi=1 { N:108.6 } atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } :: atom: 1156 98G-H N 7.82 ambi=1 { N:108.6 } atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } ::sumAvg: 3.675 atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } ::sumAvg: 3.225 atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } ::sumAvg: 2.915 atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } :: atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } ::sumAvg: 2.37 atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 3.48 atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } ::sumAvg: 2.37 atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 1147 97N-HB2 B 2.94 ambi=2 { CB:37.7 } :: atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 1148 97N-HB3 B 2.9 ambi=2 { CB:37.7 } ::sumAvg: 4.935 atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } ::sumAvg: 4.88 atom: 1150 97N-HD22 D2 7.13 ambi=1 { ND2:113.6 } atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } :: atom: 1150 97N-HD22 D2 7.13 ambi=1 { ND2:113.6 } atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } ::sumAvg: 4.685 atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } ::sumAvg: 4.45 atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } atom: 1149 97N-HD21 D2 7.68 ambi=1 { ND2:113.6 } :: atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } atom: 1150 97N-HD22 D2 7.13 ambi=1 { ND2:113.6 } ::sumAvg: 4.31 atom: 1149 97N-HD21 D2 7.68 ambi=1 { ND2:113.6 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } :: atom: 1150 97N-HD22 D2 7.13 ambi=1 { ND2:113.6 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } ::sumAvg: 4.31 atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } :: atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } ::sumAvg: 4.51 atom: 1156 98G-H N 7.82 ambi=1 { N:108.6 } atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } :: atom: 1156 98G-H N 7.82 ambi=1 { N:108.6 } atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } ::sumAvg: 3.795 atom: 1156 98G-H N 7.82 ambi=1 { N:108.6 } atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } ::sumAvg: 4.985 atom: 1174 100L-H N 7.75 ambi=1 { N:120.3 } atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } :: atom: 1174 100L-H N 7.75 ambi=1 { N:120.3 } atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } ::sumAvg: 4.1 atom: 1174 100L-H N 7.75 ambi=1 { N:120.3 } atom: 1162 99P-HA A 4.38 ambi=1 { CA:63.9 } ::sumAvg: 3.325 atom: 1174 100L-H N 7.75 ambi=1 { N:120.3 } atom: 1165 99P-QG G 1.94 ambi=2 { CG:26.9 } ::sumAvg: 2.865 atom: 1188 101G-H N 8.62 ambi=1 { N:110.6 } atom: 1222 104E-HG2 G 2.33 ambi=2 { CG:36.5 } :: atom: 1188 101G-H N 8.62 ambi=1 { N:110.6 } atom: 1223 104E-HG3 G 2.26 ambi=2 { CG:36.5 } ::sumAvg: 3.865 atom: 1188 101G-H N 8.62 ambi=1 { N:110.6 } atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } ::sumAvg: 4.205 atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } atom: 1188 101G-H N 8.62 ambi=1 { N:110.6 } ::sumAvg: 4.205 atom: 1194 102A-H N 8.31 ambi=1 { N:122 } atom: 1205 103K-HG2 G 1.47 ambi=2 { CG:25.4 } :: atom: 1194 102A-H N 8.31 ambi=1 { N:122 } atom: 1206 103K-HG3 G 1.34 ambi=2 { CG:25.4 } ::sumAvg: 4.635 atom: 1243 106H-H N 8.93 ambi=1 { N:116.7 } atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } ::sumAvg: 4.45 atom: 1201 103K-H N 8.36 ambi=1 { N:116.5 } atom: 1209 103K-HE2 E 2.95 ambi=2 { CE:42.2 } :: atom: 1201 103K-H N 8.36 ambi=1 { N:116.5 } atom: 1210 103K-HE3 E 2.93 ambi=2 { CE:42.2 } ::sumAvg: 4.75 atom: 1201 103K-H N 8.36 ambi=1 { N:116.5 } atom: 1243 106H-H N 8.93 ambi=1 { N:116.7 } ::sumAvg: 4.59 atom: 1243 106H-H N 8.93 ambi=1 { N:116.7 } atom: 1201 103K-H N 8.36 ambi=1 { N:116.5 } ::sumAvg: 4.59 atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } atom: 1202 103K-HA A 3.73 ambi=1 { CA:60 } ::sumAvg: 4.49 atom: 1253 107S-H N 8.06 ambi=1 { N:117 } atom: 1203 103K-HB2 B 1.8 ambi=2 { CB:31.9 } :: atom: 1253 107S-H N 8.06 ambi=1 { N:117 } atom: 1204 103K-HB3 B 1.72 ambi=2 { CB:31.9 } ::sumAvg: 4.96 atom: 1218 104E-H N 7.89 ambi=1 { N:120 } atom: 1207 103K-QD D 1.63 ambi=2 { CD:29.4 } ::sumAvg: 4.78 atom: 1218 104E-H N 7.89 ambi=1 { N:120 } atom: 1222 104E-HG2 G 2.33 ambi=2 { CG:36.5 } :: atom: 1218 104E-H N 7.89 ambi=1 { N:120 } atom: 1223 104E-HG3 G 2.26 ambi=2 { CG:36.5 } ::sumAvg: 2.82 atom: 1218 104E-H N 7.89 ambi=1 { N:120 } atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } ::sumAvg: 4.81 atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } atom: 1222 104E-HG2 G 2.33 ambi=2 { CG:36.5 } :: atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } atom: 1223 104E-HG3 G 2.26 ambi=2 { CG:36.5 } ::sumAvg: 4.585 atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } :: atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } ::sumAvg: 4.795 atom: 1253 107S-H N 8.06 ambi=1 { N:117 } atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } ::sumAvg: 4.36 atom: 1243 106H-H N 8.93 ambi=1 { N:116.7 } atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } :: atom: 1243 106H-H N 8.93 ambi=1 { N:116.7 } atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } ::sumAvg: 4.38 atom: 1243 106H-H N 8.93 ambi=1 { N:116.7 } atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } ::sumAvg: 4.625 atom: 1253 107S-H N 8.06 ambi=1 { N:117 } atom: 1244 106H-HA A 4.23 ambi=1 { CA:57.6 } ::sumAvg: 3.54 atom: 1261 108L-H N 7.95 ambi=1 { N:121.8 } atom: 1244 106H-HA A 4.23 ambi=1 { CA:57.6 } ::sumAvg: 4.43 atom: 1289 110E-H N 7.96 ambi=1 { N:120.8 } atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } :: atom: 1289 110E-H N 7.96 ambi=1 { N:120.8 } atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } ::sumAvg: 4.835 atom: 1275 109I-H N 8.73 ambi=1 { N:120.2 } atom: 1254 107S-HA A 4.31 ambi=1 { CA:62.2 } ::sumAvg: 4.445 atom: 1289 110E-H N 7.96 ambi=1 { N:120.8 } atom: 1262 108L-HA A 4.18 ambi=1 { CA:57.9 } ::sumAvg: 4.42 atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } atom: 1262 108L-HA A 4.18 ambi=1 { CA:57.9 } ::sumAvg: 4.2 atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } atom: 1275 109I-H N 8.73 ambi=1 { N:120.2 } ::sumAvg: 4.725 atom: 1300 111D-H N 8.29 ambi=1 { N:119.2 } atom: 1276 109I-HA A 3.83 ambi=1 { CA:65.8 } ::sumAvg: 4.385 atom: 1289 110E-H N 7.96 ambi=1 { N:120.8 } atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } :: atom: 1289 110E-H N 7.96 ambi=1 { N:120.8 } atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } ::sumAvg: 4.84 atom: 1289 110E-H N 7.96 ambi=1 { N:120.8 } atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } ::sumAvg: 4.545 atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } atom: 1289 110E-H N 7.96 ambi=1 { N:120.8 } ::sumAvg: 4.545 atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } atom: 1291 110E-QB B 2.2 ambi=2 { CB:28.2 } ::sumAvg: 4.775 atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } atom: 1291 110E-QB B 2.2 ambi=2 { CB:28.2 } ::sumAvg: 4.81 atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } atom: 1293 110E-HG2 G 2.5 ambi=2 { CG:34.5 } :: atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } atom: 1294 110E-HG3 G 2.35 ambi=2 { CG:34.5 } ::sumAvg: 4.405 atom: 1300 111D-H N 8.29 ambi=1 { N:119.2 } atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } ::sumAvg: 4.855 atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } atom: 1300 111D-H N 8.29 ambi=1 { N:119.2 } ::sumAvg: 4.855 atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } :: atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } ::sumAvg: 4.955 atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } atom: 1318 113F-HB2 B 2.02 ambi=2 { CB:39.1 } :: atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } atom: 1319 113F-HB3 B 3.1 ambi=2 { CB:39.1 } ::sumAvg: 4.9 atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } ::sumAvg: 4.265 atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } ::sumAvg: 4.265 atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } atom: 1339 115L-H N 8.57 ambi=1 { N:119.8 } ::sumAvg: 4.845 atom: 1339 115L-H N 8.57 ambi=1 { N:119.8 } atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } ::sumAvg: 4.845 atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } :: atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } ::sumAvg: 4.49 atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } ::sumAvg: 3.52 atom: 1353 116T-H N 7.24 ambi=1 { N:104.9 } atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } ::sumAvg: 4.41 atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } ::sumAvg: 4.68 atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } atom: 1328 114Q-HG2 G 2.72 ambi=2 { CG:32.9 } :: atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } atom: 1329 114Q-HG3 G 2.87 ambi=2 { CG:32.9 } ::sumAvg: 4.705 atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } atom: 1353 116T-H N 7.24 ambi=1 { N:104.9 } ::sumAvg: 4.695 atom: 1353 116T-H N 7.24 ambi=1 { N:104.9 } atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } ::sumAvg: 4.695 atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } ::sumAvg: 4.71 atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } ::sumAvg: 3.56 atom: 1339 115L-H N 8.57 ambi=1 { N:119.8 } atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } ::sumAvg: 4.29 atom: 1353 116T-H N 7.24 ambi=1 { N:104.9 } atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } ::sumAvg: 3.265 atom: 1363 117R-H N 6.84 ambi=1 { N:120.9 } atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } ::sumAvg: 4.345 atom: 1330 114Q-HE21 E2 8.14 ambi=1 { NE2:112.6 } atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } ::sumAvg: 4.58 atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } :: atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } ::sumAvg: 4.73 atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } atom: 1353 116T-H N 7.24 ambi=1 { N:104.9 } ::sumAvg: 3.925 atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } atom: 1363 117R-H N 6.84 ambi=1 { N:120.9 } ::sumAvg: 4.71 atom: 1363 117R-H N 6.84 ambi=1 { N:120.9 } atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } ::sumAvg: 4.71 atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } atom: 1365 117R-QB B 1.5 ambi=2 { CB:31.1 } ::sumAvg: 4.795 atom: 1330 114Q-HE21 E2 8.14 ambi=1 { NE2:112.6 } atom: 1325 114Q-HA A 4 ambi=1 { CA:58.3 } :: atom: 1331 114Q-HE22 E2 6.98 ambi=1 { NE2:112.6 } atom: 1325 114Q-HA A 4 ambi=1 { CA:58.3 } ::sumAvg: 4.38 atom: 1339 115L-H N 8.57 ambi=1 { N:119.8 } atom: 1325 114Q-HA A 4 ambi=1 { CA:58.3 } ::sumAvg: 3.54 atom: 1353 116T-H N 7.24 ambi=1 { N:104.9 } atom: 1325 114Q-HA A 4 ambi=1 { CA:58.3 } ::sumAvg: 3.965 atom: 1371 117R-HE E 7.36 ambi=1 { NE:84.3 } atom: 1325 114Q-HA A 4 ambi=1 { CA:58.3 } ::sumAvg: 4.85 atom: 1353 116T-H N 7.24 ambi=1 { N:104.9 } atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } ::sumAvg: 4.48 atom: 1363 117R-H N 6.84 ambi=1 { N:120.9 } atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } ::sumAvg: 4.62 atom: 1339 115L-H N 8.57 ambi=1 { N:119.8 } atom: 1328 114Q-HG2 G 2.72 ambi=2 { CG:32.9 } :: atom: 1339 115L-H N 8.57 ambi=1 { N:119.8 } atom: 1329 114Q-HG3 G 2.87 ambi=2 { CG:32.9 } ::sumAvg: 4.455 atom: 1339 115L-H N 8.57 ambi=1 { N:119.8 } atom: 1365 117R-QB B 1.5 ambi=2 { CB:31.1 } ::sumAvg: 4.89 atom: 1353 116T-H N 7.24 ambi=1 { N:104.9 } atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } :: atom: 1353 116T-H N 7.24 ambi=1 { N:104.9 } atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } ::sumAvg: 4.395 atom: 1353 116T-H N 7.24 ambi=1 { N:104.9 } atom: 1364 117R-HA A 3.06 ambi=1 { CA:55.9 } ::sumAvg: 4.455 atom: 1353 116T-H N 7.24 ambi=1 { N:104.9 } atom: 1365 117R-QB B 1.5 ambi=2 { CB:31.1 } ::sumAvg: 4.045 atom: 1363 117R-H N 6.84 ambi=1 { N:120.9 } atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } ::sumAvg: 4.13 atom: 1371 117R-HE E 7.36 ambi=1 { NE:84.3 } atom: 1365 117R-QB B 1.5 ambi=2 { CB:31.1 } ::sumAvg: 3.445 atom: 1371 117R-HE E 7.36 ambi=1 { NE:84.3 } atom: 1367 117R-HG2 G 1.3 ambi=2 { CG:26.6 } :: atom: 1371 117R-HE E 7.36 ambi=1 { NE:84.3 } atom: 1368 117R-HG3 G 1.4 ambi=2 { CG:26.6 } ::sumAvg: 2.865 atom: 1371 117R-HE E 7.36 ambi=1 { NE:84.3 } atom: 1369 117R-HD2 D 3.1 ambi=2 { CD:44.1 } :: atom: 1371 117R-HE E 7.36 ambi=1 { NE:84.3 } atom: 1370 117R-HD3 D 3.04 ambi=2 { CD:44.1 } ::sumAvg: 2.675 atom: 1380 118L-H N 8.38 ambi=1 { N:122.6 } atom: 1398 119E-HG2 G 2.17 ambi=2 { CG:35.8 } :: atom: 1380 118L-H N 8.38 ambi=1 { N:122.6 } atom: 1399 119E-HG3 G 2.1 ambi=2 { CG:35.8 } ::sumAvg: 4.75 atom: 1394 119E-H N 8.33 ambi=1 { N:124 } atom: 1395 119E-HA A 4.16 ambi=1 { CA:56 } ::sumAvg: 2.655 atom: 1413 121H-H N 8.58 ambi=1 { N:120.8 } atom: 1395 119E-HA A 4.16 ambi=1 { CA:56 } ::sumAvg: 4.98 atom: 1405 120H-H N 8.52 ambi=1 { N:120.1 } atom: 1407 120H-HB2 B 3.16 ambi=2 { CB:29.3 } :: atom: 1405 120H-H N 8.52 ambi=1 { N:120.1 } atom: 1408 120H-HB3 B 3.09 ambi=2 { CB:29.3 } ::sumAvg: 3.105 atom: 1421 122H-H N 8.4 ambi=1 { N:125.7 } atom: 1423 122H-HB2 B 3.12 ambi=2 { CB:29.2 } :: atom: 1421 122H-H N 8.4 ambi=1 { N:125.7 } atom: 1424 122H-HB3 B 3.02 ambi=2 { CB:29.2 } ::sumAvg: 3.085 # Missing interactons for c_aro.peaks atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 4 1M-HG2 G 2.79 ambi=2 { CG:31.2 } :: atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 5 1M-HG3 G 2.54 ambi=2 { CG:31.2 } ::sumAvg: 4.75 atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } ::sumAvg: 3.015 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } ::sumAvg: 4.315 atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } ::sumAvg: 4.86 atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } ::sumAvg: 3.97 atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } ::sumAvg: 4.565 atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } ::sumAvg: 4.19 atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } ::sumAvg: 2.79 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } ::sumAvg: 4.615 atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } ::sumAvg: 4.085 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } :: atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } ::sumAvg: 4.4 atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 2.195 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } ::sumAvg: 2.195 atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } ::sumAvg: 3.81 atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 89 7I-H N 8.39 ambi=1 { N:121 } ::sumAvg: 3.18 atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 90 7I-HA A 3.28 ambi=1 { CA:66.4 } ::sumAvg: 3.155 atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } ::sumAvg: 4.78 atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } ::sumAvg: 4.3 atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 127 10A-H N 8.34 ambi=1 { N:120.7 } ::sumAvg: 4.76 atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } ::sumAvg: 3.845 atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } ::sumAvg: 4.735 atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 2.99 atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } ::sumAvg: 2.915 atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 3.325 atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 2.915 atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } ::sumAvg: 4.13 atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } ::sumAvg: 4.74 atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } ::sumAvg: 4.74 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 92 7I-HG12 G1 1.06 ambi=2 { CG1:31.3 } :: atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } ::sumAvg: 4.68 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 90 7I-HA A 3.28 ambi=1 { CA:66.4 } ::sumAvg: 4.28 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } ::sumAvg: 3.575 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } ::sumAvg: 4.755 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 393 31F-HB2 B 2.31 ambi=2 { CB:38.5 } :: atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 394 31F-HB3 B 2.28 ambi=2 { CB:38.5 } ::sumAvg: 4.425 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } ::sumAvg: 3.145 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 3.145 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } ::sumAvg: 2.77 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 2.77 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } ::sumAvg: 4.05 atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 4.05 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } ::sumAvg: 3.78 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } ::sumAvg: 4.55 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } ::sumAvg: 4.745 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } :: atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } ::sumAvg: 2.92 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } ::sumAvg: 4.39 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } :: atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } ::sumAvg: 3.365 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } ::sumAvg: 3.63 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 756 62I-HG12 G1 1.45 ambi=2 { CG1:25.7 } :: atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } ::sumAvg: 4.7 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 3.025 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } :: atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } ::sumAvg: 4.365 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 4.34 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 3.195 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 1278 109I-HG12 G1 1.06 ambi=2 { CG1:29.5 } :: atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 1279 109I-HG13 G1 2.19 ambi=2 { CG1:29.5 } ::sumAvg: 3.16 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } ::sumAvg: 4.04 atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } ::sumAvg: 2.13 atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } ::sumAvg: 4.225 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } ::sumAvg: 4.55 atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } ::sumAvg: 4.88 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } ::sumAvg: 4.88 atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } atom: 520 42L-H N 8.3 ambi=1 { N:123.7 } ::sumAvg: 4.98 atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } ::sumAvg: 3.52 atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 3.525 atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } ::sumAvg: 3.205 atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } atom: 1278 109I-HG12 G1 1.06 ambi=2 { CG1:29.5 } :: atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } atom: 1279 109I-HG13 G1 2.19 ambi=2 { CG1:29.5 } ::sumAvg: 4.29 atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } ::sumAvg: 4.795 atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } ::sumAvg: 3.58 atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } atom: 89 7I-H N 8.39 ambi=1 { N:121 } ::sumAvg: 4.965 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 90 7I-HA A 3.28 ambi=1 { CA:66.4 } ::sumAvg: 4.725 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 90 7I-HA A 3.28 ambi=1 { CA:66.4 } ::sumAvg: 3.095 atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } atom: 90 7I-HA A 3.28 ambi=1 { CA:66.4 } ::sumAvg: 2.95 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } ::sumAvg: 4.955 atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } ::sumAvg: 4.63 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } ::sumAvg: 3.84 atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } ::sumAvg: 3.265 atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } :: atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } atom: 114 9Y-HB3 B 2.86 ambi=2 { CB:38.6 } ::sumAvg: 4.415 atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } :: atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } atom: 114 9Y-HB3 B 2.86 ambi=2 { CB:38.6 } ::sumAvg: 4.78 atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } atom: 111 9Y-H N 8.06 ambi=1 { N:121.6 } ::sumAvg: 4.175 atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } atom: 112 9Y-HA A 4 ambi=1 { CA:61.7 } ::sumAvg: 4.595 atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } ::sumAvg: 4.55 atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } :: atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } ::sumAvg: 3.755 atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } atom: 170 13K-HG2 G 0.09 ambi=2 { CG:23.6 } :: atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } atom: 171 13K-HG3 G -0.31 ambi=2 { CG:23.6 } ::sumAvg: 3.71 atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } atom: 174 13K-HE2 E 2.47 ambi=2 { CE:42.1 } :: atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } atom: 175 13K-HE3 E 2.58 ambi=2 { CE:42.1 } ::sumAvg: 4.23 atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 4.875 atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } atom: 1244 106H-HA A 4.23 ambi=1 { CA:57.6 } ::sumAvg: 3.565 atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } :: atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } ::sumAvg: 3.815 atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } ::sumAvg: 3.76 atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } ::sumAvg: 3.76 atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } atom: 1277 109I-HB B 2.2 ambi=1 { CB:38.6 } ::sumAvg: 3.11 atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } atom: 1289 110E-H N 7.96 ambi=1 { N:120.8 } ::sumAvg: 4.92 atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } atom: 151 12K-HB2 B 1.72 ambi=2 { CB:32.7 } :: atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } atom: 152 12K-HB3 B 1.62 ambi=2 { CB:32.7 } ::sumAvg: 4.115 atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } atom: 127 10A-H N 8.34 ambi=1 { N:120.7 } ::sumAvg: 3.35 atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } ::sumAvg: 3.455 atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } atom: 155 12K-QD D 1.625 ambi=2 { CD:29.1 } ::sumAvg: 3.76 atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } atom: 166 13K-H N 8.44 ambi=1 { N:117.7 } ::sumAvg: 4.55 atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } :: atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } ::sumAvg: 4.015 atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } atom: 170 13K-HG2 G 0.09 ambi=2 { CG:23.6 } :: atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } atom: 171 13K-HG3 G -0.31 ambi=2 { CG:23.6 } ::sumAvg: 4.86 atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } ::sumAvg: 4.635 atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } ::sumAvg: 4.635 atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 4.835 atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } atom: 1244 106H-HA A 4.23 ambi=1 { CA:57.6 } ::sumAvg: 4.79 atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } ::sumAvg: 3.915 atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } ::sumAvg: 3.915 atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } atom: 1277 109I-HB B 2.2 ambi=1 { CB:38.6 } ::sumAvg: 4.715 atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } ::sumAvg: 3.88 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 134 11Q-H N 7.83 ambi=1 { N:116.6 } ::sumAvg: 4.84 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 138 11Q-QG G 2.35 ambi=2 { CG:34.3 } ::sumAvg: 3.745 atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } atom: 166 13K-H N 8.44 ambi=1 { N:117.7 } ::sumAvg: 4.275 atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } atom: 167 13K-HA A 3.61 ambi=1 { CA:56.9 } ::sumAvg: 4.805 atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } :: atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } ::sumAvg: 2.98 atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } :: atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } ::sumAvg: 3.47 atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } atom: 170 13K-HG2 G 0.09 ambi=2 { CG:23.6 } :: atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } atom: 171 13K-HG3 G -0.31 ambi=2 { CG:23.6 } ::sumAvg: 3.75 atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } atom: 170 13K-HG2 G 0.09 ambi=2 { CG:23.6 } :: atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } atom: 171 13K-HG3 G -0.31 ambi=2 { CG:23.6 } ::sumAvg: 3.53 atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } atom: 174 13K-HE2 E 2.47 ambi=2 { CE:42.1 } :: atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } atom: 175 13K-HE3 E 2.58 ambi=2 { CE:42.1 } ::sumAvg: 4.685 atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } atom: 183 14Y-H N 6.78 ambi=1 { N:113.1 } ::sumAvg: 4.605 atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } atom: 184 14Y-HA A 4.53 ambi=1 { CA:56.6 } ::sumAvg: 4.975 atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } atom: 185 14Y-HB2 B 3.07 ambi=2 { CB:39.5 } :: atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } atom: 186 14Y-HB3 B 2.82 ambi=2 { CB:39.5 } ::sumAvg: 4.43 atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } atom: 199 15D-H N 7.62 ambi=1 { N:119.6 } ::sumAvg: 4.195 atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } atom: 207 16T-H N 7.56 ambi=1 { N:113.1 } ::sumAvg: 3.895 atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } atom: 209 16T-HB B 3.91 ambi=1 { CB:71 } ::sumAvg: 3.54 atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } atom: 211 16T-HG2 G2 1.48 ambi=1 { CG2:23.8 } ::sumAvg: 4.34 atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } ::sumAvg: 4.59 atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } atom: 209 16T-HB B 3.91 ambi=1 { CB:71 } ::sumAvg: 4.425 atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } ::sumAvg: 4.475 atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } atom: 1318 113F-HB2 B 2.02 ambi=2 { CB:39.1 } :: atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } atom: 1319 113F-HB3 B 3.1 ambi=2 { CB:39.1 } ::sumAvg: 4.435 atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } atom: 1356 116T-HG1 G1 5.35 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.89 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 207 16T-H N 7.56 ambi=1 { N:113.1 } ::sumAvg: 4.8 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 209 16T-HB B 3.91 ambi=1 { CB:71 } ::sumAvg: 3.985 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 210 16T-HG1 G1 6.25 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.735 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 211 16T-HG2 G2 1.48 ambi=1 { CG2:23.8 } ::sumAvg: 4.14 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } ::sumAvg: 4.695 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } ::sumAvg: 4.315 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 232 18P-HA A 3.54 ambi=1 { CA:62 } ::sumAvg: 3.61 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 232 18P-HA A 3.54 ambi=1 { CA:62 } ::sumAvg: 3.88 atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } atom: 232 18P-HA A 3.54 ambi=1 { CA:62 } ::sumAvg: 4.715 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 235 18P-QG G 1.99 ambi=2 { CG:27.1 } ::sumAvg: 4.765 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 235 18P-QG G 1.99 ambi=2 { CG:27.1 } ::sumAvg: 3.02 atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } atom: 235 18P-QG G 1.99 ambi=2 { CG:27.1 } ::sumAvg: 3.185 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } :: atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } ::sumAvg: 3.995 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } :: atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } ::sumAvg: 2.61 atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } :: atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } ::sumAvg: 3.99 atom: 275 22W-HD1 D1 7.39 ambi=1 { CD1:126.3 } atom: 260 21P-HB2 B 1.78 ambi=2 { CB:32.1 } :: atom: 275 22W-HD1 D1 7.39 ambi=1 { CD1:126.3 } atom: 261 21P-HB3 B 0.73 ambi=2 { CB:32.1 } ::sumAvg: 4.495 atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } :: atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } ::sumAvg: 4.62 atom: 275 22W-HD1 D1 7.39 ambi=1 { CD1:126.3 } atom: 271 22W-H N 8.34 ambi=1 { N:118.7 } ::sumAvg: 3.75 atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } atom: 271 22W-H N 8.34 ambi=1 { N:118.7 } ::sumAvg: 4.035 atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } ::sumAvg: 4.515 atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } ::sumAvg: 4.765 atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } :: atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } ::sumAvg: 2.685 atom: 325 25F-QE E 7.06 ambi=3 { CE1:130.4 } atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } :: atom: 325 25F-QE E 7.06 ambi=3 { CE1:130.4 } atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } ::sumAvg: 4.695 atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } :: atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } ::sumAvg: 4.62 atom: 275 22W-HD1 D1 7.39 ambi=1 { CD1:126.3 } atom: 291 23E-H N 9.03 ambi=1 { N:128.4 } ::sumAvg: 4.855 atom: 275 22W-HD1 D1 7.39 ambi=1 { CD1:126.3 } atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } :: atom: 275 22W-HD1 D1 7.39 ambi=1 { CD1:126.3 } atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } ::sumAvg: 4.925 atom: 275 22W-HD1 D1 7.39 ambi=1 { CD1:126.3 } atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } ::sumAvg: 4.41 atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } atom: 275 22W-HD1 D1 7.39 ambi=1 { CD1:126.3 } ::sumAvg: 4.41 atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } atom: 319 25F-H N 7.01 ambi=1 { N:115.1 } ::sumAvg: 4.72 atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } :: atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } ::sumAvg: 3.475 atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } ::sumAvg: 3.85 atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } ::sumAvg: 3.85 atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } :: atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } ::sumAvg: 3.795 atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } ::sumAvg: 3.665 atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } ::sumAvg: 3.665 atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 4.735 atom: 278 22W-HZ2 Z2 7.62 ambi=1 { CZ2:114.5 } atom: 279 22W-HZ3 Z3 6.66 ambi=1 { CZ3:120.9 } ::sumAvg: 4.33 atom: 279 22W-HZ3 Z3 6.66 ambi=1 { CZ3:120.9 } atom: 278 22W-HZ2 Z2 7.62 ambi=1 { CZ2:114.5 } ::sumAvg: 4.33 atom: 279 22W-HZ3 Z3 6.66 ambi=1 { CZ3:120.9 } atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } :: atom: 279 22W-HZ3 Z3 6.66 ambi=1 { CZ3:120.9 } atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } ::sumAvg: 4.665 atom: 279 22W-HZ3 Z3 6.66 ambi=1 { CZ3:120.9 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 279 22W-HZ3 Z3 6.66 ambi=1 { CZ3:120.9 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 4.41 atom: 280 22W-HH2 H2 6.9 ambi=1 { CH2:124.7 } atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } ::sumAvg: 4.25 atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } atom: 280 22W-HH2 H2 6.9 ambi=1 { CH2:124.7 } ::sumAvg: 4.25 atom: 280 22W-HH2 H2 6.9 ambi=1 { CH2:124.7 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 280 22W-HH2 H2 6.9 ambi=1 { CH2:124.7 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 4.5 atom: 490 39W-HD1 D1 7.15 ambi=1 { CD1:124.7 } atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } :: atom: 490 39W-HD1 D1 7.15 ambi=1 { CD1:124.7 } atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } ::sumAvg: 3.865 atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } atom: 302 24K-H N 8.5 ambi=1 { N:115.1 } ::sumAvg: 4.11 atom: 327 25F-HZ Z 7.07 ambi=1 { CZ:128.7 } atom: 304 24K-HB2 B 1.43 ambi=2 { CB:32.3 } :: atom: 327 25F-HZ Z 7.07 ambi=1 { CZ:128.7 } atom: 305 24K-HB3 B 1.24 ambi=2 { CB:32.3 } ::sumAvg: 4.305 atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } atom: 310 24K-QE E 2.84 ambi=2 { CE:42.2 } ::sumAvg: 4.73 atom: 325 25F-QE E 7.06 ambi=3 { CE1:130.4 } atom: 310 24K-QE E 2.84 ambi=2 { CE:42.2 } ::sumAvg: 3.755 atom: 327 25F-HZ Z 7.07 ambi=1 { CZ:128.7 } atom: 310 24K-QE E 2.84 ambi=2 { CE:42.2 } ::sumAvg: 4.745 atom: 325 25F-QE E 7.06 ambi=3 { CE1:130.4 } atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } ::sumAvg: 4.585 atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } ::sumAvg: 4.545 atom: 325 25F-QE E 7.06 ambi=3 { CE1:130.4 } atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } :: atom: 325 25F-QE E 7.06 ambi=3 { CE1:130.4 } atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } ::sumAvg: 4.39 atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } :: atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } ::sumAvg: 2.63 atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } :: atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } ::sumAvg: 3.275 atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } atom: 349 27D-H N 8.86 ambi=1 { N:114.4 } ::sumAvg: 4.805 atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } :: atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } ::sumAvg: 4.715 atom: 325 25F-QE E 7.06 ambi=3 { CE1:130.4 } atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } ::sumAvg: 4.12 atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } atom: 325 25F-QE E 7.06 ambi=3 { CE1:130.4 } ::sumAvg: 4.12 atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 349 27D-H N 8.86 ambi=1 { N:114.4 } ::sumAvg: 3.98 atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } :: atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } ::sumAvg: 3.44 atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } :: atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } ::sumAvg: 4.225 atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 357 28Y-H N 8.3 ambi=1 { N:123.7 } ::sumAvg: 2.8 atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } atom: 357 28Y-H N 8.3 ambi=1 { N:123.7 } ::sumAvg: 4.685 atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } atom: 358 28Y-HA A 5.5 ambi=1 { CA:55.6 } ::sumAvg: 4.44 atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } :: atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } ::sumAvg: 4.455 atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } ::sumAvg: 2.19 atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } ::sumAvg: 4.155 atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 525 42L-HD1 D1 0.88 ambi=2 { CD1:26.7 } :: atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 526 42L-HD2 D2 0.74 ambi=2 { CD2:23.6 } ::sumAvg: 4.52 atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } :: atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } ::sumAvg: 4.725 atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } :: atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } ::sumAvg: 3.22 atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } ::sumAvg: 4.09 atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } ::sumAvg: 3.375 atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } :: atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } ::sumAvg: 4.725 atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } ::sumAvg: 4.39 atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } :: atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } ::sumAvg: 3.32 atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } ::sumAvg: 4.49 atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } ::sumAvg: 3.14 atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } :: atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } ::sumAvg: 3.65 atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } ::sumAvg: 4.75 atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } ::sumAvg: 3.66 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } ::sumAvg: 4.8 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } ::sumAvg: 3.885 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } ::sumAvg: 4.9 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } ::sumAvg: 3.325 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } ::sumAvg: 4.505 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 4.35 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } ::sumAvg: 4.61 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } ::sumAvg: 2.91 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } ::sumAvg: 4.595 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 393 31F-HB2 B 2.31 ambi=2 { CB:38.5 } :: atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 394 31F-HB3 B 2.28 ambi=2 { CB:38.5 } ::sumAvg: 4.41 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } ::sumAvg: 4.305 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } ::sumAvg: 4.99 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 520 42L-H N 8.3 ambi=1 { N:123.7 } ::sumAvg: 4.44 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 521 42L-HA A 5.2 ambi=1 { CA:54.1 } ::sumAvg: 3.14 atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } ::sumAvg: 3.675 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 521 42L-HA A 5.2 ambi=1 { CA:54.1 } ::sumAvg: 4.105 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } ::sumAvg: 3.3 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } ::sumAvg: 4.73 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } ::sumAvg: 4.51 atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 4.585 atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } :: atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } ::sumAvg: 4.14 atom: 490 39W-HD1 D1 7.15 ambi=1 { CD1:124.7 } atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } ::sumAvg: 3.485 atom: 490 39W-HD1 D1 7.15 ambi=1 { CD1:124.7 } atom: 426 33H-H N 8.56 ambi=1 { N:119.8 } ::sumAvg: 2.865 atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 652 53I-HG12 G1 0.85 ambi=2 { CG1:27.8 } :: atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 653 53I-HG13 G1 1.22 ambi=2 { CG1:27.8 } ::sumAvg: 4.945 atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 652 53I-HG12 G1 0.85 ambi=2 { CG1:27.8 } :: atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 653 53I-HG13 G1 1.22 ambi=2 { CG1:27.8 } ::sumAvg: 3.805 atom: 490 39W-HD1 D1 7.15 ambi=1 { CD1:124.7 } atom: 487 39W-HA A 5 ambi=1 { CA:55.7 } ::sumAvg: 4.135 atom: 492 39W-HE3 E3 7.11 ambi=1 { CE3:120.2 } atom: 487 39W-HA A 5 ambi=1 { CA:55.7 } ::sumAvg: 3.725 atom: 490 39W-HD1 D1 7.15 ambi=1 { CD1:124.7 } atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } :: atom: 490 39W-HD1 D1 7.15 ambi=1 { CD1:124.7 } atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } ::sumAvg: 2.905 atom: 490 39W-HD1 D1 7.15 ambi=1 { CD1:124.7 } atom: 505 40Y-H N 9.27 ambi=1 { N:114 } ::sumAvg: 4.71 atom: 490 39W-HD1 D1 7.15 ambi=1 { CD1:124.7 } atom: 506 40Y-HA A 5.28 ambi=1 { CA:55.7 } ::sumAvg: 4.965 atom: 492 39W-HE3 E3 7.11 ambi=1 { CE3:120.2 } atom: 505 40Y-H N 9.27 ambi=1 { N:114 } ::sumAvg: 4.635 atom: 492 39W-HE3 E3 7.11 ambi=1 { CE3:120.2 } atom: 506 40Y-HA A 5.28 ambi=1 { CA:55.7 } ::sumAvg: 4.805 atom: 492 39W-HE3 E3 7.11 ambi=1 { CE3:120.2 } atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } ::sumAvg: 4.29 atom: 1073 91W-HZ2 Z2 7.48 ambi=1 { CZ2:115 } atom: 507 40Y-HB2 B 2.97 ambi=2 { CB:40.3 } :: atom: 1073 91W-HZ2 Z2 7.48 ambi=1 { CZ2:115 } atom: 508 40Y-HB3 B 2.84 ambi=2 { CB:40.3 } ::sumAvg: 4.52 atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } ::sumAvg: 4.545 atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 3.035 atom: 1009 84Y-QD D 6.84 ambi=3 { CD1:133.1 } atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } ::sumAvg: 4.695 atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } ::sumAvg: 4.3 atom: 1009 84Y-QD D 6.84 ambi=3 { CD1:133.1 } atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } ::sumAvg: 4.04 atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } ::sumAvg: 4.265 atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 630 51I-HA A 4.49 ambi=1 { CA:60.1 } ::sumAvg: 4.315 atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } ::sumAvg: 3.085 atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } ::sumAvg: 4.095 atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } :: atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } ::sumAvg: 4.465 atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } ::sumAvg: 3.7 atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } ::sumAvg: 4.655 atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } ::sumAvg: 3.125 atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } ::sumAvg: 2.815 atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 644 52G-HA2 A 4.05 ambi=2 { CA:46.1 } :: atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 645 52G-HA3 A 3.73 ambi=2 { CA:46.1 } ::sumAvg: 4.49 atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 644 52G-HA2 A 4.05 ambi=2 { CA:46.1 } :: atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 645 52G-HA3 A 3.73 ambi=2 { CA:46.1 } ::sumAvg: 4.675 atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 655 53I-HD1 D1 0.59 ambi=1 { CD1:14 } ::sumAvg: 4.575 atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 655 53I-HD1 D1 0.59 ambi=1 { CD1:14 } ::sumAvg: 3.225 atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } :: atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } ::sumAvg: 4.225 atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } :: atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } ::sumAvg: 4.52 atom: 1070 91W-HD1 D1 7.47 ambi=1 { CD1:127 } atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } ::sumAvg: 4.08 atom: 1070 91W-HD1 D1 7.47 ambi=1 { CD1:127 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } ::sumAvg: 4.66 atom: 1070 91W-HD1 D1 7.47 ambi=1 { CD1:127 } atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } :: atom: 1070 91W-HD1 D1 7.47 ambi=1 { CD1:127 } atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } ::sumAvg: 4.085 atom: 1073 91W-HZ2 Z2 7.48 ambi=1 { CZ2:115 } atom: 786 65K-HE2 E 2.86 ambi=2 { CE:42.4 } :: atom: 1073 91W-HZ2 Z2 7.48 ambi=1 { CZ2:115 } atom: 787 65K-HE3 E 2.75 ambi=2 { CE:42.4 } ::sumAvg: 4.99 atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 958 79G-H N 8.29 ambi=1 { N:109.3 } ::sumAvg: 4.185 atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } :: atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } ::sumAvg: 4.26 atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 964 80I-H N 7.3 ambi=1 { N:119.2 } ::sumAvg: 4.73 atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } ::sumAvg: 4.725 atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 4.71 atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } ::sumAvg: 4.825 atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } ::sumAvg: 4.59 atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } :: atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } ::sumAvg: 4.43 atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 998 82P-HD2 D 3.98 ambi=2 { CD:51.1 } :: atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 999 82P-HD3 D 3.9 ambi=2 { CD:51.1 } ::sumAvg: 2.99 atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } ::sumAvg: 4.675 atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 4.645 atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } ::sumAvg: 4.17 atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } ::sumAvg: 3.505 atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } ::sumAvg: 4.57 atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } :: atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } ::sumAvg: 2.78 atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 3.8 atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } ::sumAvg: 4.205 atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } ::sumAvg: 4.945 atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } ::sumAvg: 4.47 atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } :: atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } ::sumAvg: 4.43 atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } ::sumAvg: 4.345 atom: 1009 84Y-QD D 6.84 ambi=3 { CD1:133.1 } atom: 1004 83A-HA A 4.14 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.705 atom: 1009 84Y-QD D 6.84 ambi=3 { CD1:133.1 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.2 atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } atom: 1007 84Y-HB2 B 2.65 ambi=2 { CB:39.5 } :: atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } atom: 1008 84Y-HB3 B 2.47 ambi=2 { CB:39.5 } ::sumAvg: 4.445 atom: 1009 84Y-QD D 6.84 ambi=3 { CD1:133.1 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 4.145 atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 4.645 atom: 1073 91W-HZ2 Z2 7.48 ambi=1 { CZ2:115 } atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } :: atom: 1073 91W-HZ2 Z2 7.48 ambi=1 { CZ2:115 } atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } ::sumAvg: 4.76 atom: 1074 91W-HZ3 Z3 6.86 ambi=1 { CZ3:120.9 } atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } :: atom: 1074 91W-HZ3 Z3 6.86 ambi=1 { CZ3:120.9 } atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } ::sumAvg: 4.88 atom: 1070 91W-HD1 D1 7.47 ambi=1 { CD1:127 } atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } ::sumAvg: 3.16 atom: 1073 91W-HZ2 Z2 7.48 ambi=1 { CZ2:115 } atom: 1071 91W-HE1 E1 10.31 ambi=1 { NE1:129.6 } ::sumAvg: 2.81 atom: 1073 91W-HZ2 Z2 7.48 ambi=1 { CZ2:115 } atom: 1074 91W-HZ3 Z3 6.86 ambi=1 { CZ3:120.9 } ::sumAvg: 4.305 atom: 1074 91W-HZ3 Z3 6.86 ambi=1 { CZ3:120.9 } atom: 1073 91W-HZ2 Z2 7.48 ambi=1 { CZ2:115 } ::sumAvg: 4.305 atom: 1073 91W-HZ2 Z2 7.48 ambi=1 { CZ2:115 } atom: 1075 91W-HH2 H2 6.97 ambi=1 { CH2:123.7 } ::sumAvg: 2.505 atom: 1075 91W-HH2 H2 6.97 ambi=1 { CH2:123.7 } atom: 1073 91W-HZ2 Z2 7.48 ambi=1 { CZ2:115 } ::sumAvg: 2.505 atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } atom: 1195 102A-HA A 3.52 ambi=1 { CA:55.4 } ::sumAvg: 4.98 atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } ::sumAvg: 4.64 atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } ::sumAvg: 3.845 atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } :: atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } ::sumAvg: 3.64 atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } atom: 1277 109I-HB B 2.2 ambi=1 { CB:38.6 } ::sumAvg: 4.18 atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } ::sumAvg: 4.63 # Missing interactons for c_ali.peaks atom: 43 4Q-HB2 B 2.1 ambi=2 { CB:28.2 } atom: 17 2N-HD22 D2 6.94 ambi=1 { ND2:111.1 } :: atom: 44 4Q-HB3 B 2 ambi=2 { CB:28.2 } atom: 17 2N-HD22 D2 6.94 ambi=1 { ND2:111.1 } ::sumAvg: 4.52 atom: 60 5Q-HG2 G 2.76 ambi=2 { CG:34.3 } atom: 16 2N-HD21 D2 7.46 ambi=1 { ND2:111.1 } :: atom: 61 5Q-HG3 G 2.5 ambi=2 { CG:34.3 } atom: 16 2N-HD21 D2 7.46 ambi=1 { ND2:111.1 } :: atom: 60 5Q-HG2 G 2.76 ambi=2 { CG:34.3 } atom: 17 2N-HD22 D2 6.94 ambi=1 { ND2:111.1 } :: atom: 61 5Q-HG3 G 2.5 ambi=2 { CG:34.3 } atom: 17 2N-HD22 D2 6.94 ambi=1 { ND2:111.1 } ::sumAvg: 4.375 atom: 1 1M-HA A 4.21 ambi=1 { CA:55 } atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } ::sumAvg: 4.08 atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } atom: 1 1M-HA A 4.21 ambi=1 { CA:55 } ::sumAvg: 4.08 atom: 1 1M-HA A 4.21 ambi=1 { CA:55 } atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } ::sumAvg: 4.425 atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } atom: 1 1M-HA A 4.21 ambi=1 { CA:55 } ::sumAvg: 4.425 atom: 1 1M-HA A 4.21 ambi=1 { CA:55 } atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } :: atom: 1 1M-HA A 4.21 ambi=1 { CA:55 } atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } ::sumAvg: 4.62 atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } atom: 1 1M-HA A 4.21 ambi=1 { CA:55 } :: atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } atom: 1 1M-HA A 4.21 ambi=1 { CA:55 } ::sumAvg: 4.62 atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } atom: 1 1M-HA A 4.21 ambi=1 { CA:55 } :: atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } atom: 1 1M-HA A 4.21 ambi=1 { CA:55 } ::sumAvg: 3.34 atom: 1 1M-HA A 4.21 ambi=1 { CA:55 } atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } ::sumAvg: 4.96 atom: 1 1M-HA A 4.21 ambi=1 { CA:55 } atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } ::sumAvg: 4.205 atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } atom: 1 1M-HA A 4.21 ambi=1 { CA:55 } ::sumAvg: 4.205 atom: 2 1M-HB2 B 2.12 ambi=2 { CB:34.6 } atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } :: atom: 3 1M-HB3 B 2 ambi=2 { CB:34.6 } atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } ::sumAvg: 4.65 atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } atom: 2 1M-HB2 B 2.12 ambi=2 { CB:34.6 } :: atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } atom: 3 1M-HB3 B 2 ambi=2 { CB:34.6 } ::sumAvg: 4.65 atom: 2 1M-HB2 B 2.12 ambi=2 { CB:34.6 } atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } :: atom: 3 1M-HB3 B 2 ambi=2 { CB:34.6 } atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } ::sumAvg: 4.99 atom: 2 1M-HB2 B 2.12 ambi=2 { CB:34.6 } atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } :: atom: 2 1M-HB2 B 2.12 ambi=2 { CB:34.6 } atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } :: atom: 3 1M-HB3 B 2 ambi=2 { CB:34.6 } atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } :: atom: 3 1M-HB3 B 2 ambi=2 { CB:34.6 } atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } ::sumAvg: 4.27 atom: 2 1M-HB2 B 2.12 ambi=2 { CB:34.6 } atom: 1194 102A-H N 8.31 ambi=1 { N:122 } :: atom: 3 1M-HB3 B 2 ambi=2 { CB:34.6 } atom: 1194 102A-H N 8.31 ambi=1 { N:122 } ::sumAvg: 4.78 atom: 2 1M-HB2 B 2.12 ambi=2 { CB:34.6 } atom: 1195 102A-HA A 3.52 ambi=1 { CA:55.4 } :: atom: 3 1M-HB3 B 2 ambi=2 { CB:34.6 } atom: 1195 102A-HA A 3.52 ambi=1 { CA:55.4 } ::sumAvg: 3.9 atom: 1195 102A-HA A 3.52 ambi=1 { CA:55.4 } atom: 2 1M-HB2 B 2.12 ambi=2 { CB:34.6 } :: atom: 1195 102A-HA A 3.52 ambi=1 { CA:55.4 } atom: 3 1M-HB3 B 2 ambi=2 { CB:34.6 } ::sumAvg: 3.9 atom: 2 1M-HB2 B 2.12 ambi=2 { CB:34.6 } atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } :: atom: 3 1M-HB3 B 2 ambi=2 { CB:34.6 } atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } ::sumAvg: 3.045 atom: 2 1M-HB2 B 2.12 ambi=2 { CB:34.6 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } :: atom: 3 1M-HB3 B 2 ambi=2 { CB:34.6 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 4.815 atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } atom: 2 1M-HB2 B 2.12 ambi=2 { CB:34.6 } :: atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } atom: 3 1M-HB3 B 2 ambi=2 { CB:34.6 } ::sumAvg: 4.815 atom: 4 1M-HG2 G 2.79 ambi=2 { CG:31.2 } atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } :: atom: 5 1M-HG3 G 2.54 ambi=2 { CG:31.2 } atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } ::sumAvg: 4.16 atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } atom: 4 1M-HG2 G 2.79 ambi=2 { CG:31.2 } :: atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } atom: 5 1M-HG3 G 2.54 ambi=2 { CG:31.2 } ::sumAvg: 4.16 atom: 4 1M-HG2 G 2.79 ambi=2 { CG:31.2 } atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } :: atom: 5 1M-HG3 G 2.54 ambi=2 { CG:31.2 } atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } ::sumAvg: 4.985 atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } atom: 4 1M-HG2 G 2.79 ambi=2 { CG:31.2 } :: atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } atom: 5 1M-HG3 G 2.54 ambi=2 { CG:31.2 } ::sumAvg: 4.985 atom: 4 1M-HG2 G 2.79 ambi=2 { CG:31.2 } atom: 56 5Q-H N 8.67 ambi=1 { N:117.7 } :: atom: 5 1M-HG3 G 2.54 ambi=2 { CG:31.2 } atom: 56 5Q-H N 8.67 ambi=1 { N:117.7 } ::sumAvg: 4.92 atom: 4 1M-HG2 G 2.79 ambi=2 { CG:31.2 } atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } :: atom: 5 1M-HG3 G 2.54 ambi=2 { CG:31.2 } atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } ::sumAvg: 4.2 atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } atom: 4 1M-HG2 G 2.79 ambi=2 { CG:31.2 } :: atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } atom: 5 1M-HG3 G 2.54 ambi=2 { CG:31.2 } ::sumAvg: 4.2 atom: 4 1M-HG2 G 2.79 ambi=2 { CG:31.2 } atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } :: atom: 5 1M-HG3 G 2.54 ambi=2 { CG:31.2 } atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } :: atom: 5 1M-HG3 G 2.54 ambi=2 { CG:31.2 } atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } ::sumAvg: 3.65 atom: 4 1M-HG2 G 2.79 ambi=2 { CG:31.2 } atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } :: atom: 5 1M-HG3 G 2.54 ambi=2 { CG:31.2 } atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } ::sumAvg: 4.75 atom: 4 1M-HG2 G 2.79 ambi=2 { CG:31.2 } atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } :: atom: 4 1M-HG2 G 2.79 ambi=2 { CG:31.2 } atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } :: atom: 5 1M-HG3 G 2.54 ambi=2 { CG:31.2 } atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } :: atom: 5 1M-HG3 G 2.54 ambi=2 { CG:31.2 } atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } ::sumAvg: 4.345 atom: 4 1M-HG2 G 2.79 ambi=2 { CG:31.2 } atom: 1195 102A-HA A 3.52 ambi=1 { CA:55.4 } :: atom: 5 1M-HG3 G 2.54 ambi=2 { CG:31.2 } atom: 1195 102A-HA A 3.52 ambi=1 { CA:55.4 } ::sumAvg: 3.945 atom: 1195 102A-HA A 3.52 ambi=1 { CA:55.4 } atom: 4 1M-HG2 G 2.79 ambi=2 { CG:31.2 } :: atom: 1195 102A-HA A 3.52 ambi=1 { CA:55.4 } atom: 5 1M-HG3 G 2.54 ambi=2 { CG:31.2 } ::sumAvg: 3.945 atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } atom: 4 1M-HG2 G 2.79 ambi=2 { CG:31.2 } :: atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } atom: 5 1M-HG3 G 2.54 ambi=2 { CG:31.2 } ::sumAvg: 3.675 atom: 4 1M-HG2 G 2.79 ambi=2 { CG:31.2 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } :: atom: 5 1M-HG3 G 2.54 ambi=2 { CG:31.2 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 4.415 atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } atom: 12 2N-H N 8.5 ambi=1 { N:122 } ::sumAvg: 4.57 atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } ::sumAvg: 3.715 atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 4.315 atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } atom: 111 9Y-H N 8.06 ambi=1 { N:121.6 } ::sumAvg: 4.92 atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } ::sumAvg: 4.86 atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 4.82 atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } ::sumAvg: 4.82 atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } ::sumAvg: 4.28 atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } ::sumAvg: 4.28 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } ::sumAvg: 3.3 atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } ::sumAvg: 4.695 atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } ::sumAvg: 4.65 atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } ::sumAvg: 4.65 atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } ::sumAvg: 2.855 atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } ::sumAvg: 2.855 atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } atom: 1243 106H-H N 8.93 ambi=1 { N:116.7 } ::sumAvg: 4.16 atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } atom: 1244 106H-HA A 4.23 ambi=1 { CA:57.6 } ::sumAvg: 4.415 atom: 1244 106H-HA A 4.23 ambi=1 { CA:57.6 } atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } ::sumAvg: 4.415 atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } ::sumAvg: 3.16 atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 6 1M-HE E 1.88 ambi=1 { CE:16.8 } ::sumAvg: 3.16 atom: 60 5Q-HG2 G 2.76 ambi=2 { CG:34.3 } atom: 12 2N-H N 8.5 ambi=1 { N:122 } :: atom: 61 5Q-HG3 G 2.5 ambi=2 { CG:34.3 } atom: 12 2N-H N 8.5 ambi=1 { N:122 } ::sumAvg: 2.935 atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } atom: 16 2N-HD21 D2 7.46 ambi=1 { ND2:111.1 } :: atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } atom: 17 2N-HD22 D2 6.94 ambi=1 { ND2:111.1 } ::sumAvg: 3.9 atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } ::sumAvg: 4.37 atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } ::sumAvg: 4.37 atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } atom: 26 3R-HB2 B 1.89 ambi=2 { CB:30.9 } :: atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } atom: 27 3R-HB3 B 1.8 ambi=2 { CB:30.9 } ::sumAvg: 4.95 atom: 26 3R-HB2 B 1.89 ambi=2 { CB:30.9 } atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } :: atom: 27 3R-HB3 B 1.8 ambi=2 { CB:30.9 } atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } ::sumAvg: 4.95 atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } atom: 41 4Q-H N 8.37 ambi=1 { N:120.7 } ::sumAvg: 4.7 atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } :: atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } ::sumAvg: 4.445 atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } :: atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } ::sumAvg: 4.445 atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } ::sumAvg: 4.635 atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } :: atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } ::sumAvg: 4.635 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 13 2N-HA A 4.99 ambi=1 { CA:51 } ::sumAvg: 3.515 atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } :: atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } ::sumAvg: 4.735 atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } :: atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } ::sumAvg: 4.735 atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } atom: 26 3R-HB2 B 1.89 ambi=2 { CB:30.9 } :: atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } atom: 27 3R-HB3 B 1.8 ambi=2 { CB:30.9 } :: atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } atom: 26 3R-HB2 B 1.89 ambi=2 { CB:30.9 } :: atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } atom: 27 3R-HB3 B 1.8 ambi=2 { CB:30.9 } ::sumAvg: 4.755 atom: 26 3R-HB2 B 1.89 ambi=2 { CB:30.9 } atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } :: atom: 27 3R-HB3 B 1.8 ambi=2 { CB:30.9 } atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } :: atom: 26 3R-HB2 B 1.89 ambi=2 { CB:30.9 } atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } :: atom: 27 3R-HB3 B 1.8 ambi=2 { CB:30.9 } atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } ::sumAvg: 4.755 atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } atom: 41 4Q-H N 8.37 ambi=1 { N:120.7 } :: atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } atom: 41 4Q-H N 8.37 ambi=1 { N:120.7 } ::sumAvg: 3.525 atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } atom: 43 4Q-HB2 B 2.1 ambi=2 { CB:28.2 } :: atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } atom: 44 4Q-HB3 B 2 ambi=2 { CB:28.2 } :: atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } atom: 43 4Q-HB2 B 2.1 ambi=2 { CB:28.2 } :: atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } atom: 44 4Q-HB3 B 2 ambi=2 { CB:28.2 } ::sumAvg: 4.755 atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } atom: 56 5Q-H N 8.67 ambi=1 { N:117.7 } :: atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } atom: 56 5Q-H N 8.67 ambi=1 { N:117.7 } ::sumAvg: 3.59 atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } :: atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } :: atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } :: atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } ::sumAvg: 3.615 atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } :: atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } :: atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } :: atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } ::sumAvg: 3.615 atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } atom: 60 5Q-HG2 G 2.76 ambi=2 { CG:34.3 } :: atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } atom: 61 5Q-HG3 G 2.5 ambi=2 { CG:34.3 } :: atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } atom: 61 5Q-HG3 G 2.5 ambi=2 { CG:34.3 } ::sumAvg: 3.73 atom: 60 5Q-HG2 G 2.76 ambi=2 { CG:34.3 } atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } :: atom: 61 5Q-HG3 G 2.5 ambi=2 { CG:34.3 } atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } :: atom: 61 5Q-HG3 G 2.5 ambi=2 { CG:34.3 } atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } ::sumAvg: 3.73 atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } :: atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 4.765 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 14 2N-HB2 B 3.33 ambi=2 { CB:40 } :: atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 15 2N-HB3 B 2.92 ambi=2 { CB:40 } ::sumAvg: 4.765 atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } atom: 47 4Q-HE21 E2 7.85 ambi=1 { NE2:115.3 } :: atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } atom: 48 4Q-HE22 E2 6.92 ambi=1 { NE2:115.3 } ::sumAvg: 3.55 atom: 94 7I-HG2 G2 1.05 ambi=1 { CG2:17.2 } atom: 47 4Q-HE21 E2 7.85 ambi=1 { NE2:115.3 } :: atom: 94 7I-HG2 G2 1.05 ambi=1 { CG2:17.2 } atom: 48 4Q-HE22 E2 6.92 ambi=1 { NE2:115.3 } ::sumAvg: 3.175 atom: 105 8D-HB2 B 2.74 ambi=2 { CB:40.6 } atom: 47 4Q-HE21 E2 7.85 ambi=1 { NE2:115.3 } :: atom: 106 8D-HB3 B 2.64 ambi=2 { CB:40.6 } atom: 47 4Q-HE21 E2 7.85 ambi=1 { NE2:115.3 } ::sumAvg: 3.655 atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } atom: 24 3R-H N 8.95 ambi=1 { N:117.6 } ::sumAvg: 4.42 atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } atom: 24 3R-H N 8.95 ambi=1 { N:117.6 } :: atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } atom: 24 3R-H N 8.95 ambi=1 { N:117.6 } ::sumAvg: 4.75 atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } atom: 24 3R-H N 8.95 ambi=1 { N:117.6 } :: atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } atom: 24 3R-H N 8.95 ambi=1 { N:117.6 } ::sumAvg: 4.67 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 24 3R-H N 8.95 ambi=1 { N:117.6 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 24 3R-H N 8.95 ambi=1 { N:117.6 } ::sumAvg: 3.8 atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } ::sumAvg: 4.105 atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } atom: 32 3R-HE E 7.65 ambi=1 { NE:84.7 } ::sumAvg: 4.825 atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } atom: 56 5Q-H N 8.67 ambi=1 { N:117.7 } ::sumAvg: 4.48 atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } ::sumAvg: 3.76 atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } ::sumAvg: 4.565 atom: 92 7I-HG12 G1 1.06 ambi=2 { CG1:31.3 } atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } :: atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } ::sumAvg: 4.485 atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } atom: 89 7I-H N 8.39 ambi=1 { N:121 } ::sumAvg: 4.25 atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } ::sumAvg: 4.51 atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } ::sumAvg: 4.51 atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } ::sumAvg: 4.49 atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } ::sumAvg: 4.725 atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } :: atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } ::sumAvg: 4.725 atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 4.505 atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } atom: 25 3R-HA A 3.85 ambi=1 { CA:60.4 } ::sumAvg: 4.505 atom: 42 4Q-HA A 3.9 ambi=1 { CA:58.9 } atom: 26 3R-HB2 B 1.89 ambi=2 { CB:30.9 } :: atom: 42 4Q-HA A 3.9 ambi=1 { CA:58.9 } atom: 27 3R-HB3 B 1.8 ambi=2 { CB:30.9 } ::sumAvg: 4.43 atom: 26 3R-HB2 B 1.89 ambi=2 { CB:30.9 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } :: atom: 27 3R-HB3 B 1.8 ambi=2 { CB:30.9 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } ::sumAvg: 4.18 atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } atom: 26 3R-HB2 B 1.89 ambi=2 { CB:30.9 } :: atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } atom: 27 3R-HB3 B 1.8 ambi=2 { CB:30.9 } ::sumAvg: 4.18 atom: 26 3R-HB2 B 1.89 ambi=2 { CB:30.9 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 27 3R-HB3 B 1.8 ambi=2 { CB:30.9 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 27 3R-HB3 B 1.8 ambi=2 { CB:30.9 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } ::sumAvg: 4.005 atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } atom: 26 3R-HB2 B 1.89 ambi=2 { CB:30.9 } :: atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } atom: 27 3R-HB3 B 1.8 ambi=2 { CB:30.9 } :: atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } atom: 27 3R-HB3 B 1.8 ambi=2 { CB:30.9 } ::sumAvg: 4.005 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 26 3R-HB2 B 1.89 ambi=2 { CB:30.9 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 26 3R-HB2 B 1.89 ambi=2 { CB:30.9 } :: atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 27 3R-HB3 B 1.8 ambi=2 { CB:30.9 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 27 3R-HB3 B 1.8 ambi=2 { CB:30.9 } ::sumAvg: 3.735 atom: 28 3R-HG2 G 1.63 ambi=2 { CG:27 } atom: 43 4Q-HB2 B 2.1 ambi=2 { CB:28.2 } :: atom: 29 3R-HG3 G 1.65 ambi=2 { CG:27 } atom: 43 4Q-HB2 B 2.1 ambi=2 { CB:28.2 } ::sumAvg: 4.95 atom: 43 4Q-HB2 B 2.1 ambi=2 { CB:28.2 } atom: 28 3R-HG2 G 1.63 ambi=2 { CG:27 } :: atom: 43 4Q-HB2 B 2.1 ambi=2 { CB:28.2 } atom: 29 3R-HG3 G 1.65 ambi=2 { CG:27 } ::sumAvg: 4.95 atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } atom: 28 3R-HG2 G 1.63 ambi=2 { CG:27 } :: atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } atom: 28 3R-HG2 G 1.63 ambi=2 { CG:27 } :: atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } atom: 29 3R-HG3 G 1.65 ambi=2 { CG:27 } :: atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } atom: 29 3R-HG3 G 1.65 ambi=2 { CG:27 } ::sumAvg: 4.985 atom: 92 7I-HG12 G1 1.06 ambi=2 { CG1:31.3 } atom: 28 3R-HG2 G 1.63 ambi=2 { CG:27 } :: atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } atom: 28 3R-HG2 G 1.63 ambi=2 { CG:27 } :: atom: 92 7I-HG12 G1 1.06 ambi=2 { CG1:31.3 } atom: 29 3R-HG3 G 1.65 ambi=2 { CG:27 } :: atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } atom: 29 3R-HG3 G 1.65 ambi=2 { CG:27 } ::sumAvg: 4.435 atom: 28 3R-HG2 G 1.63 ambi=2 { CG:27 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } :: atom: 29 3R-HG3 G 1.65 ambi=2 { CG:27 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } ::sumAvg: 3.66 atom: 28 3R-HG2 G 1.63 ambi=2 { CG:27 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 28 3R-HG2 G 1.63 ambi=2 { CG:27 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } :: atom: 29 3R-HG3 G 1.65 ambi=2 { CG:27 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 29 3R-HG3 G 1.65 ambi=2 { CG:27 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } ::sumAvg: 4.725 atom: 28 3R-HG2 G 1.63 ambi=2 { CG:27 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 28 3R-HG2 G 1.63 ambi=2 { CG:27 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } :: atom: 29 3R-HG3 G 1.65 ambi=2 { CG:27 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 29 3R-HG3 G 1.65 ambi=2 { CG:27 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 3.995 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 28 3R-HG2 G 1.63 ambi=2 { CG:27 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 28 3R-HG2 G 1.63 ambi=2 { CG:27 } :: atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 29 3R-HG3 G 1.65 ambi=2 { CG:27 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 29 3R-HG3 G 1.65 ambi=2 { CG:27 } ::sumAvg: 3.995 atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } atom: 41 4Q-H N 8.37 ambi=1 { N:120.7 } ::sumAvg: 4.45 atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } atom: 350 27D-HA A 4.81 ambi=1 { CA:53.9 } ::sumAvg: 4.9 atom: 350 27D-HA A 4.81 ambi=1 { CA:53.9 } atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } ::sumAvg: 4.9 atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } ::sumAvg: 4.67 atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } ::sumAvg: 4.67 atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } ::sumAvg: 4.715 atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } ::sumAvg: 4.895 atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } ::sumAvg: 4.895 atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } :: atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } ::sumAvg: 4.615 atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } :: atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } ::sumAvg: 4.615 atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } ::sumAvg: 4.57 atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } :: atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } ::sumAvg: 4.57 atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 4.855 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 30 3R-QD D 3.26 ambi=2 { CD:43.7 } ::sumAvg: 4.855 atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } atom: 32 3R-HE E 7.65 ambi=1 { NE:84.7 } :: atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } atom: 32 3R-HE E 7.65 ambi=1 { NE:84.7 } ::sumAvg: 4.605 atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } atom: 41 4Q-H N 8.37 ambi=1 { N:120.7 } :: atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } atom: 41 4Q-H N 8.37 ambi=1 { N:120.7 } ::sumAvg: 4.825 atom: 60 5Q-HG2 G 2.76 ambi=2 { CG:34.3 } atom: 41 4Q-H N 8.37 ambi=1 { N:120.7 } :: atom: 61 5Q-HG3 G 2.5 ambi=2 { CG:34.3 } atom: 41 4Q-H N 8.37 ambi=1 { N:120.7 } ::sumAvg: 4.66 atom: 42 4Q-HA A 3.9 ambi=1 { CA:58.9 } atom: 47 4Q-HE21 E2 7.85 ambi=1 { NE2:115.3 } :: atom: 42 4Q-HA A 3.9 ambi=1 { CA:58.9 } atom: 48 4Q-HE22 E2 6.92 ambi=1 { NE2:115.3 } ::sumAvg: 3.46 atom: 42 4Q-HA A 3.9 ambi=1 { CA:58.9 } atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } ::sumAvg: 4.445 atom: 92 7I-HG12 G1 1.06 ambi=2 { CG1:31.3 } atom: 42 4Q-HA A 3.9 ambi=1 { CA:58.9 } :: atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } atom: 42 4Q-HA A 3.9 ambi=1 { CA:58.9 } ::sumAvg: 3.83 atom: 42 4Q-HA A 3.9 ambi=1 { CA:58.9 } atom: 94 7I-HG2 G2 1.05 ambi=1 { CG2:17.2 } ::sumAvg: 4.165 atom: 42 4Q-HA A 3.9 ambi=1 { CA:58.9 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } ::sumAvg: 2.7 atom: 42 4Q-HA A 3.9 ambi=1 { CA:58.9 } atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } :: atom: 42 4Q-HA A 3.9 ambi=1 { CA:58.9 } atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } ::sumAvg: 4.805 atom: 43 4Q-HB2 B 2.1 ambi=2 { CB:28.2 } atom: 47 4Q-HE21 E2 7.85 ambi=1 { NE2:115.3 } :: atom: 43 4Q-HB2 B 2.1 ambi=2 { CB:28.2 } atom: 48 4Q-HE22 E2 6.92 ambi=1 { NE2:115.3 } :: atom: 44 4Q-HB3 B 2 ambi=2 { CB:28.2 } atom: 47 4Q-HE21 E2 7.85 ambi=1 { NE2:115.3 } :: atom: 44 4Q-HB3 B 2 ambi=2 { CB:28.2 } atom: 48 4Q-HE22 E2 6.92 ambi=1 { NE2:115.3 } ::sumAvg: 4.385 atom: 44 4Q-HB3 B 2 ambi=2 { CB:28.2 } atom: 45 4Q-QG G 2.43 ambi=2 { CG:33.7 } ::sumAvg: 2.17 atom: 45 4Q-QG G 2.43 ambi=2 { CG:33.7 } atom: 44 4Q-HB3 B 2 ambi=2 { CB:28.2 } ::sumAvg: 2.17 atom: 43 4Q-HB2 B 2.1 ambi=2 { CB:28.2 } atom: 62 5Q-HE21 E2 7.56 ambi=1 { NE2:111.5 } :: atom: 44 4Q-HB3 B 2 ambi=2 { CB:28.2 } atom: 62 5Q-HE21 E2 7.56 ambi=1 { NE2:111.5 } ::sumAvg: 4.965 atom: 43 4Q-HB2 B 2.1 ambi=2 { CB:28.2 } atom: 60 5Q-HG2 G 2.76 ambi=2 { CG:34.3 } :: atom: 43 4Q-HB2 B 2.1 ambi=2 { CB:28.2 } atom: 61 5Q-HG3 G 2.5 ambi=2 { CG:34.3 } :: atom: 44 4Q-HB3 B 2 ambi=2 { CB:28.2 } atom: 60 5Q-HG2 G 2.76 ambi=2 { CG:34.3 } :: atom: 44 4Q-HB3 B 2 ambi=2 { CB:28.2 } atom: 61 5Q-HG3 G 2.5 ambi=2 { CG:34.3 } ::sumAvg: 3.695 atom: 43 4Q-HB2 B 2.1 ambi=2 { CB:28.2 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } :: atom: 44 4Q-HB3 B 2 ambi=2 { CB:28.2 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } ::sumAvg: 4.465 atom: 45 4Q-QG G 2.43 ambi=2 { CG:33.7 } atom: 57 5Q-HA A 4.19 ambi=1 { CA:58.5 } ::sumAvg: 3.65 atom: 57 5Q-HA A 4.19 ambi=1 { CA:58.5 } atom: 45 4Q-QG G 2.43 ambi=2 { CG:33.7 } ::sumAvg: 3.65 atom: 45 4Q-QG G 2.43 ambi=2 { CG:33.7 } atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } ::sumAvg: 4.14 atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } atom: 45 4Q-QG G 2.43 ambi=2 { CG:33.7 } ::sumAvg: 4.14 atom: 45 4Q-QG G 2.43 ambi=2 { CG:33.7 } atom: 94 7I-HG2 G2 1.05 ambi=1 { CG2:17.2 } ::sumAvg: 4.75 atom: 94 7I-HG2 G2 1.05 ambi=1 { CG2:17.2 } atom: 45 4Q-QG G 2.43 ambi=2 { CG:33.7 } ::sumAvg: 4.75 atom: 45 4Q-QG G 2.43 ambi=2 { CG:33.7 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } ::sumAvg: 4.595 atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } atom: 45 4Q-QG G 2.43 ambi=2 { CG:33.7 } ::sumAvg: 4.595 atom: 45 4Q-QG G 2.43 ambi=2 { CG:33.7 } atom: 103 8D-H N 8.71 ambi=1 { N:119.8 } ::sumAvg: 4 atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } atom: 56 5Q-H N 8.67 ambi=1 { N:117.7 } :: atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } atom: 56 5Q-H N 8.67 ambi=1 { N:117.7 } ::sumAvg: 4.78 atom: 57 5Q-HA A 4.19 ambi=1 { CA:58.5 } atom: 62 5Q-HE21 E2 7.56 ambi=1 { NE2:111.5 } :: atom: 57 5Q-HA A 4.19 ambi=1 { CA:58.5 } atom: 63 5Q-HE22 E2 6.82 ambi=1 { NE2:111.5 } ::sumAvg: 4.255 atom: 57 5Q-HA A 4.19 ambi=1 { CA:58.5 } atom: 89 7I-H N 8.39 ambi=1 { N:121 } ::sumAvg: 4.51 atom: 57 5Q-HA A 4.19 ambi=1 { CA:58.5 } atom: 111 9Y-H N 8.06 ambi=1 { N:121.6 } ::sumAvg: 3.95 atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } :: atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } ::sumAvg: 4.385 atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } :: atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } :: atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } :: atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } ::sumAvg: 4.59 atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } :: atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } :: atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } :: atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } ::sumAvg: 4.59 atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } :: atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } atom: 114 9Y-HB3 B 2.86 ambi=2 { CB:38.6 } :: atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } :: atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } atom: 114 9Y-HB3 B 2.86 ambi=2 { CB:38.6 } ::sumAvg: 4.68 atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } :: atom: 114 9Y-HB3 B 2.86 ambi=2 { CB:38.6 } atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } :: atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } :: atom: 114 9Y-HB3 B 2.86 ambi=2 { CB:38.6 } atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } ::sumAvg: 4.68 atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } :: atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } ::sumAvg: 4.795 atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } atom: 58 5Q-HB2 B 2.31 ambi=2 { CB:28.9 } :: atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } atom: 59 5Q-HB3 B 1.96 ambi=2 { CB:28.9 } ::sumAvg: 4.795 atom: 60 5Q-HG2 G 2.76 ambi=2 { CG:34.3 } atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } :: atom: 61 5Q-HG3 G 2.5 ambi=2 { CG:34.3 } atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } ::sumAvg: 4.47 atom: 92 7I-HG12 G1 1.06 ambi=2 { CG1:31.3 } atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } :: atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } ::sumAvg: 4.655 atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } ::sumAvg: 4.895 atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } :: atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } atom: 71 6F-H N 8.27 ambi=1 { N:121.2 } ::sumAvg: 4.16 atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 4.615 atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } atom: 89 7I-H N 8.39 ambi=1 { N:121 } ::sumAvg: 3.57 atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } atom: 90 7I-HA A 3.28 ambi=1 { CA:66.4 } ::sumAvg: 4.815 atom: 90 7I-HA A 3.28 ambi=1 { CA:66.4 } atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } ::sumAvg: 4.815 atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } ::sumAvg: 4.085 atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } atom: 127 10A-H N 8.34 ambi=1 { N:120.7 } ::sumAvg: 4.165 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } ::sumAvg: 4.665 atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 4.82 atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 4.835 atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 72 6F-HA A 4.13 ambi=1 { CA:62.7 } ::sumAvg: 4.33 atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } :: atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 4.4 atom: 92 7I-HG12 G1 1.06 ambi=2 { CG1:31.3 } atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } :: atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } :: atom: 92 7I-HG12 G1 1.06 ambi=2 { CG1:31.3 } atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } :: atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } ::sumAvg: 3.425 atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } atom: 89 7I-H N 8.39 ambi=1 { N:121 } :: atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } atom: 89 7I-H N 8.39 ambi=1 { N:121 } ::sumAvg: 2.52 atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } :: atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } ::sumAvg: 4.875 atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } :: atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } ::sumAvg: 4.665 atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } :: atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } ::sumAvg: 4.665 atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } :: atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } :: atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } :: atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } ::sumAvg: 4.995 atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } :: atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } :: atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } :: atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } ::sumAvg: 4.995 atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } :: atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } ::sumAvg: 4.11 atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } :: atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 3.58 atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } :: atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } ::sumAvg: 3.58 atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } :: atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } ::sumAvg: 4.16 atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } :: atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } ::sumAvg: 4.16 atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } :: atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 2.905 atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } :: atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 4.47 atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } :: atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } ::sumAvg: 4.47 atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } :: atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } ::sumAvg: 4.605 atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } :: atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } ::sumAvg: 4.605 atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 73 6F-HB2 B 3.19 ambi=2 { CB:39 } :: atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 74 6F-HB3 B 3.08 ambi=2 { CB:39 } ::sumAvg: 4.81 atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } ::sumAvg: 4.78 atom: 94 7I-HG2 G2 1.05 ambi=1 { CG2:17.2 } atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } ::sumAvg: 4.75 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } ::sumAvg: 3.91 atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } ::sumAvg: 3.845 atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } ::sumAvg: 4.735 atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } ::sumAvg: 4.13 atom: 1278 109I-HG12 G1 1.06 ambi=2 { CG1:29.5 } atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } :: atom: 1279 109I-HG13 G1 2.19 ambi=2 { CG1:29.5 } atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } ::sumAvg: 4.9 atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 75 6F-QD D 6.93 ambi=3 { CD1:131.3 } ::sumAvg: 2.795 atom: 92 7I-HG12 G1 1.06 ambi=2 { CG1:31.3 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } :: atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 4.68 atom: 90 7I-HA A 3.28 ambi=1 { CA:66.4 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 4.28 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 3.575 atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 4.755 atom: 393 31F-HB2 B 2.31 ambi=2 { CB:38.5 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } :: atom: 394 31F-HB3 B 2.28 ambi=2 { CB:38.5 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 4.425 atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 3.78 atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 4.745 atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } :: atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 2.92 atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 4.39 atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } :: atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 3.365 atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 3.63 atom: 756 62I-HG12 G1 1.45 ambi=2 { CG1:25.7 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } :: atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 4.7 atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } :: atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 4.365 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 77 6F-QE E 6.43 ambi=3 { CE1:130.9 } ::sumAvg: 4.34 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } ::sumAvg: 4.225 atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } :: atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } ::sumAvg: 4.625 atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } ::sumAvg: 3.52 atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } ::sumAvg: 3.525 atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } ::sumAvg: 3.205 atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } :: atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } ::sumAvg: 4.81 atom: 1278 109I-HG12 G1 1.06 ambi=2 { CG1:29.5 } atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } :: atom: 1279 109I-HG13 G1 2.19 ambi=2 { CG1:29.5 } atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } ::sumAvg: 4.29 atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } ::sumAvg: 4.795 atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 79 6F-HZ Z 6.33 ambi=1 { CZ:127.7 } ::sumAvg: 3.58 atom: 94 7I-HG2 G2 1.05 ambi=1 { CG2:17.2 } atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } ::sumAvg: 2.295 atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } ::sumAvg: 2.14 atom: 92 7I-HG12 G1 1.06 ambi=2 { CG1:31.3 } atom: 103 8D-H N 8.71 ambi=1 { N:119.8 } :: atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } atom: 103 8D-H N 8.71 ambi=1 { N:119.8 } ::sumAvg: 4.355 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } ::sumAvg: 4.335 atom: 233 18P-QB B 1.08 ambi=2 { CB:32.2 } atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } ::sumAvg: 3.85 atom: 92 7I-HG12 G1 1.06 ambi=2 { CG1:31.3 } atom: 235 18P-QG G 1.99 ambi=2 { CG:27.1 } ::sumAvg: 3.555 atom: 92 7I-HG12 G1 1.06 ambi=2 { CG1:31.3 } atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } :: atom: 92 7I-HG12 G1 1.06 ambi=2 { CG1:31.3 } atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } :: atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } :: atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } ::sumAvg: 4.665 atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } ::sumAvg: 3.335 atom: 92 7I-HG12 G1 1.06 ambi=2 { CG1:31.3 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } :: atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } ::sumAvg: 2.85 atom: 92 7I-HG12 G1 1.06 ambi=2 { CG1:31.3 } atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } :: atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } ::sumAvg: 4.29 atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } :: atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } atom: 93 7I-HG13 G1 2.13 ambi=2 { CG1:31.3 } ::sumAvg: 2.545 atom: 94 7I-HG2 G2 1.05 ambi=1 { CG2:17.2 } atom: 89 7I-H N 8.39 ambi=1 { N:121 } ::sumAvg: 3.775 atom: 105 8D-HB2 B 2.74 ambi=2 { CB:40.6 } atom: 89 7I-H N 8.39 ambi=1 { N:121 } :: atom: 106 8D-HB3 B 2.64 ambi=2 { CB:40.6 } atom: 89 7I-H N 8.39 ambi=1 { N:121 } ::sumAvg: 4.925 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 89 7I-H N 8.39 ambi=1 { N:121 } ::sumAvg: 4.76 atom: 90 7I-HA A 3.28 ambi=1 { CA:66.4 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } ::sumAvg: 3.81 atom: 90 7I-HA A 3.28 ambi=1 { CA:66.4 } atom: 104 8D-HA A 4.37 ambi=1 { CA:57.3 } ::sumAvg: 4.81 atom: 104 8D-HA A 4.37 ambi=1 { CA:57.3 } atom: 90 7I-HA A 3.28 ambi=1 { CA:66.4 } ::sumAvg: 4.81 atom: 90 7I-HA A 3.28 ambi=1 { CA:66.4 } atom: 111 9Y-H N 8.06 ambi=1 { N:121.6 } ::sumAvg: 4.47 atom: 90 7I-HA A 3.28 ambi=1 { CA:66.4 } atom: 134 11Q-H N 7.83 ambi=1 { N:116.6 } ::sumAvg: 4.235 atom: 90 7I-HA A 3.28 ambi=1 { CA:66.4 } atom: 138 11Q-QG G 2.35 ambi=2 { CG:34.3 } ::sumAvg: 4.33 atom: 138 11Q-QG G 2.35 ambi=2 { CG:34.3 } atom: 90 7I-HA A 3.28 ambi=1 { CA:66.4 } ::sumAvg: 4.33 atom: 92 7I-HG12 G1 1.06 ambi=2 { CG1:31.3 } atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } ::sumAvg: 2.51 atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } ::sumAvg: 2.315 atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } atom: 105 8D-HB2 B 2.74 ambi=2 { CB:40.6 } :: atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } atom: 106 8D-HB3 B 2.64 ambi=2 { CB:40.6 } ::sumAvg: 4.795 atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } atom: 104 8D-HA A 4.37 ambi=1 { CA:57.3 } ::sumAvg: 4.435 atom: 104 8D-HA A 4.37 ambi=1 { CA:57.3 } atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } ::sumAvg: 4.435 atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } ::sumAvg: 4.955 atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } ::sumAvg: 4.63 atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } :: atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } atom: 91 7I-HB B 1.99 ambi=1 { CB:38.5 } ::sumAvg: 4.54 atom: 94 7I-HG2 G2 1.05 ambi=1 { CG2:17.2 } atom: 105 8D-HB2 B 2.74 ambi=2 { CB:40.6 } :: atom: 94 7I-HG2 G2 1.05 ambi=1 { CG2:17.2 } atom: 106 8D-HB3 B 2.64 ambi=2 { CB:40.6 } ::sumAvg: 4.67 atom: 105 8D-HB2 B 2.74 ambi=2 { CB:40.6 } atom: 94 7I-HG2 G2 1.05 ambi=1 { CG2:17.2 } :: atom: 106 8D-HB3 B 2.64 ambi=2 { CB:40.6 } atom: 94 7I-HG2 G2 1.05 ambi=1 { CG2:17.2 } ::sumAvg: 4.67 atom: 94 7I-HG2 G2 1.05 ambi=1 { CG2:17.2 } atom: 127 10A-H N 8.34 ambi=1 { N:120.7 } ::sumAvg: 4.55 atom: 94 7I-HG2 G2 1.05 ambi=1 { CG2:17.2 } atom: 134 11Q-H N 7.83 ambi=1 { N:116.6 } ::sumAvg: 4.015 atom: 94 7I-HG2 G2 1.05 ambi=1 { CG2:17.2 } atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } ::sumAvg: 4.675 atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } atom: 94 7I-HG2 G2 1.05 ambi=1 { CG2:17.2 } ::sumAvg: 4.675 atom: 94 7I-HG2 G2 1.05 ambi=1 { CG2:17.2 } atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } ::sumAvg: 4.44 atom: 94 7I-HG2 G2 1.05 ambi=1 { CG2:17.2 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } ::sumAvg: 2.58 atom: 235 18P-QG G 1.99 ambi=2 { CG:27.1 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } ::sumAvg: 2.99 atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } :: atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } ::sumAvg: 4.68 atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } :: atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } ::sumAvg: 4.125 atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } :: atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } atom: 95 7I-HD1 D1 0.94 ambi=1 { CD1:13.9 } ::sumAvg: 4.125 atom: 105 8D-HB2 B 2.74 ambi=2 { CB:40.6 } atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } :: atom: 106 8D-HB3 B 2.64 ambi=2 { CB:40.6 } atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } ::sumAvg: 4.42 atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } atom: 105 8D-HB2 B 2.74 ambi=2 { CB:40.6 } :: atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } atom: 106 8D-HB3 B 2.64 ambi=2 { CB:40.6 } ::sumAvg: 4.42 atom: 105 8D-HB2 B 2.74 ambi=2 { CB:40.6 } atom: 112 9Y-HA A 4 ambi=1 { CA:61.7 } :: atom: 106 8D-HB3 B 2.64 ambi=2 { CB:40.6 } atom: 112 9Y-HA A 4 ambi=1 { CA:61.7 } ::sumAvg: 4.235 atom: 112 9Y-HA A 4 ambi=1 { CA:61.7 } atom: 105 8D-HB2 B 2.74 ambi=2 { CB:40.6 } :: atom: 112 9Y-HA A 4 ambi=1 { CA:61.7 } atom: 106 8D-HB3 B 2.64 ambi=2 { CB:40.6 } ::sumAvg: 4.235 atom: 105 8D-HB2 B 2.74 ambi=2 { CB:40.6 } atom: 136 11Q-HB2 B 2.31 ambi=2 { CB:28.6 } :: atom: 105 8D-HB2 B 2.74 ambi=2 { CB:40.6 } atom: 137 11Q-HB3 B 2.18 ambi=2 { CB:28.6 } :: atom: 106 8D-HB3 B 2.64 ambi=2 { CB:40.6 } atom: 137 11Q-HB3 B 2.18 ambi=2 { CB:28.6 } ::sumAvg: 4.595 atom: 155 12K-QD D 1.625 ambi=2 { CD:29.1 } atom: 105 8D-HB2 B 2.74 ambi=2 { CB:40.6 } :: atom: 155 12K-QD D 1.625 ambi=2 { CD:29.1 } atom: 106 8D-HB3 B 2.64 ambi=2 { CB:40.6 } ::sumAvg: 4.345 atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } atom: 103 8D-H N 8.71 ambi=1 { N:119.8 } :: atom: 114 9Y-HB3 B 2.86 ambi=2 { CB:38.6 } atom: 103 8D-H N 8.71 ambi=1 { N:119.8 } ::sumAvg: 4.81 atom: 138 11Q-QG G 2.35 ambi=2 { CG:34.3 } atom: 103 8D-H N 8.71 ambi=1 { N:119.8 } ::sumAvg: 4.75 atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } :: atom: 114 9Y-HB3 B 2.86 ambi=2 { CB:38.6 } atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } ::sumAvg: 4.415 atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } :: atom: 114 9Y-HB3 B 2.86 ambi=2 { CB:38.6 } atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } ::sumAvg: 4.35 atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } :: atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } atom: 114 9Y-HB3 B 2.86 ambi=2 { CB:38.6 } ::sumAvg: 4.35 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } :: atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 114 9Y-HB3 B 2.86 ambi=2 { CB:38.6 } ::sumAvg: 3.96 atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } atom: 134 11Q-H N 7.83 ambi=1 { N:116.6 } :: atom: 114 9Y-HB3 B 2.86 ambi=2 { CB:38.6 } atom: 134 11Q-H N 7.83 ambi=1 { N:116.6 } ::sumAvg: 4.97 atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } atom: 155 12K-QD D 1.625 ambi=2 { CD:29.1 } :: atom: 114 9Y-HB3 B 2.86 ambi=2 { CB:38.6 } atom: 155 12K-QD D 1.625 ambi=2 { CD:29.1 } ::sumAvg: 4.495 atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } :: atom: 114 9Y-HB3 B 2.86 ambi=2 { CB:38.6 } atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } ::sumAvg: 4.78 atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 113 9Y-HB2 B 3.18 ambi=2 { CB:38.6 } :: atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 114 9Y-HB3 B 2.86 ambi=2 { CB:38.6 } ::sumAvg: 4.07 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 111 9Y-H N 8.06 ambi=1 { N:121.6 } ::sumAvg: 4.365 atom: 112 9Y-HA A 4 ambi=1 { CA:61.7 } atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } ::sumAvg: 4.595 atom: 151 12K-HB2 B 1.72 ambi=2 { CB:32.7 } atom: 112 9Y-HA A 4 ambi=1 { CA:61.7 } :: atom: 152 12K-HB3 B 1.62 ambi=2 { CB:32.7 } atom: 112 9Y-HA A 4 ambi=1 { CA:61.7 } ::sumAvg: 2.635 atom: 112 9Y-HA A 4 ambi=1 { CA:61.7 } atom: 134 11Q-H N 7.83 ambi=1 { N:116.6 } ::sumAvg: 4.47 atom: 112 9Y-HA A 4 ambi=1 { CA:61.7 } atom: 153 12K-QG G 1.36 ambi=2 { CG:25.1 } ::sumAvg: 3.75 atom: 153 12K-QG G 1.36 ambi=2 { CG:25.1 } atom: 112 9Y-HA A 4 ambi=1 { CA:61.7 } ::sumAvg: 3.75 atom: 112 9Y-HA A 4 ambi=1 { CA:61.7 } atom: 157 12K-QE E 2.92 ambi=2 { CE:42.3 } ::sumAvg: 4.6 atom: 112 9Y-HA A 4 ambi=1 { CA:61.7 } atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } :: atom: 112 9Y-HA A 4 ambi=1 { CA:61.7 } atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } ::sumAvg: 4.755 atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } atom: 112 9Y-HA A 4 ambi=1 { CA:61.7 } :: atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } atom: 112 9Y-HA A 4 ambi=1 { CA:61.7 } ::sumAvg: 4.755 atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } ::sumAvg: 4.55 atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } :: atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } ::sumAvg: 3.755 atom: 174 13K-HE2 E 2.47 ambi=2 { CE:42.1 } atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } :: atom: 175 13K-HE3 E 2.58 ambi=2 { CE:42.1 } atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } ::sumAvg: 4.23 atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } :: atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } ::sumAvg: 3.815 atom: 1277 109I-HB B 2.2 ambi=1 { CB:38.6 } atom: 117 9Y-QE E 6.39 ambi=3 { CE1:116.7 } ::sumAvg: 3.11 atom: 151 12K-HB2 B 1.72 ambi=2 { CB:32.7 } atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } :: atom: 152 12K-HB3 B 1.62 ambi=2 { CB:32.7 } atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } ::sumAvg: 4.115 atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } ::sumAvg: 3.455 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } ::sumAvg: 3.72 atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } :: atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } ::sumAvg: 4.015 atom: 170 13K-HG2 G 0.09 ambi=2 { CG:23.6 } atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } :: atom: 171 13K-HG3 G -0.31 ambi=2 { CG:23.6 } atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } ::sumAvg: 4.86 atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } ::sumAvg: 4.835 atom: 1244 106H-HA A 4.23 ambi=1 { CA:57.6 } atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } ::sumAvg: 4.79 atom: 1277 109I-HB B 2.2 ambi=1 { CB:38.6 } atom: 115 9Y-QD D 6.71 ambi=3 { CD1:132.2 } ::sumAvg: 4.715 atom: 150 12K-HA A 3.89 ambi=1 { CA:58.8 } atom: 153 12K-QG G 1.36 ambi=2 { CG:25.1 } ::sumAvg: 2.38 atom: 150 12K-HA A 3.89 ambi=1 { CA:58.8 } atom: 157 12K-QE E 2.92 ambi=2 { CE:42.3 } ::sumAvg: 4.575 atom: 157 12K-QE E 2.92 ambi=2 { CE:42.3 } atom: 150 12K-HA A 3.89 ambi=1 { CA:58.8 } ::sumAvg: 4.575 atom: 155 12K-QD D 1.625 ambi=2 { CD:29.1 } atom: 150 12K-HA A 3.89 ambi=1 { CA:58.8 } ::sumAvg: 3.945 atom: 150 12K-HA A 3.89 ambi=1 { CA:58.8 } atom: 166 13K-H N 8.44 ambi=1 { N:117.7 } ::sumAvg: 3.56 atom: 150 12K-HA A 3.89 ambi=1 { CA:58.8 } atom: 183 14Y-H N 6.78 ambi=1 { N:113.1 } ::sumAvg: 4.805 atom: 150 12K-HA A 3.89 ambi=1 { CA:58.8 } atom: 200 15D-HA A 4.81 ambi=1 { CA:55.1 } ::sumAvg: 4.85 atom: 200 15D-HA A 4.81 ambi=1 { CA:55.1 } atom: 150 12K-HA A 3.89 ambi=1 { CA:58.8 } ::sumAvg: 4.85 atom: 151 12K-HB2 B 1.72 ambi=2 { CB:32.7 } atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } :: atom: 151 12K-HB2 B 1.72 ambi=2 { CB:32.7 } atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } :: atom: 152 12K-HB3 B 1.62 ambi=2 { CB:32.7 } atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } :: atom: 152 12K-HB3 B 1.62 ambi=2 { CB:32.7 } atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } ::sumAvg: 4.33 atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } atom: 151 12K-HB2 B 1.72 ambi=2 { CB:32.7 } :: atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } atom: 151 12K-HB2 B 1.72 ambi=2 { CB:32.7 } :: atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } atom: 152 12K-HB3 B 1.62 ambi=2 { CB:32.7 } :: atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } atom: 152 12K-HB3 B 1.62 ambi=2 { CB:32.7 } ::sumAvg: 4.33 atom: 151 12K-HB2 B 1.72 ambi=2 { CB:32.7 } atom: 170 13K-HG2 G 0.09 ambi=2 { CG:23.6 } :: atom: 151 12K-HB2 B 1.72 ambi=2 { CB:32.7 } atom: 171 13K-HG3 G -0.31 ambi=2 { CG:23.6 } :: atom: 152 12K-HB3 B 1.62 ambi=2 { CB:32.7 } atom: 170 13K-HG2 G 0.09 ambi=2 { CG:23.6 } :: atom: 152 12K-HB3 B 1.62 ambi=2 { CB:32.7 } atom: 171 13K-HG3 G -0.31 ambi=2 { CG:23.6 } ::sumAvg: 4.875 atom: 170 13K-HG2 G 0.09 ambi=2 { CG:23.6 } atom: 151 12K-HB2 B 1.72 ambi=2 { CB:32.7 } :: atom: 171 13K-HG3 G -0.31 ambi=2 { CG:23.6 } atom: 151 12K-HB2 B 1.72 ambi=2 { CB:32.7 } :: atom: 170 13K-HG2 G 0.09 ambi=2 { CG:23.6 } atom: 152 12K-HB3 B 1.62 ambi=2 { CB:32.7 } :: atom: 171 13K-HG3 G -0.31 ambi=2 { CG:23.6 } atom: 152 12K-HB3 B 1.62 ambi=2 { CB:32.7 } ::sumAvg: 4.875 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 127 10A-H N 8.34 ambi=1 { N:120.7 } ::sumAvg: 2.2 atom: 138 11Q-QG G 2.35 ambi=2 { CG:34.3 } atom: 127 10A-H N 8.34 ambi=1 { N:120.7 } ::sumAvg: 4.555 atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } atom: 134 11Q-H N 7.83 ambi=1 { N:116.6 } ::sumAvg: 3.55 atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } atom: 135 11Q-HA A 4.13 ambi=1 { CA:59.2 } ::sumAvg: 4.765 atom: 135 11Q-HA A 4.13 ambi=1 { CA:59.2 } atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } ::sumAvg: 4.765 atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } atom: 149 12K-H N 8.04 ambi=1 { N:119.3 } ::sumAvg: 4.485 atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } :: atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } ::sumAvg: 3.335 atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } atom: 185 14Y-HB2 B 3.07 ambi=2 { CB:39.5 } :: atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } atom: 186 14Y-HB3 B 2.82 ambi=2 { CB:39.5 } ::sumAvg: 4.335 atom: 185 14Y-HB2 B 3.07 ambi=2 { CB:39.5 } atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } :: atom: 186 14Y-HB3 B 2.82 ambi=2 { CB:39.5 } atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } ::sumAvg: 4.335 atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } ::sumAvg: 4.65 atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } ::sumAvg: 4.65 atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 128 10A-HA A 3.73 ambi=1 { CA:55.2 } ::sumAvg: 4.895 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 134 11Q-H N 7.83 ambi=1 { N:116.6 } ::sumAvg: 2.48 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 135 11Q-HA A 4.13 ambi=1 { CA:59.2 } ::sumAvg: 3.87 atom: 135 11Q-HA A 4.13 ambi=1 { CA:59.2 } atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } ::sumAvg: 3.87 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 140 11Q-HE21 E2 7.27 ambi=1 { NE2:111.7 } ::sumAvg: 4.715 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 149 12K-H N 8.04 ambi=1 { N:119.3 } ::sumAvg: 4.485 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 166 13K-H N 8.44 ambi=1 { N:117.7 } ::sumAvg: 4.81 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } :: atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } ::sumAvg: 4.815 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 183 14Y-H N 6.78 ambi=1 { N:113.1 } ::sumAvg: 4.365 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 185 14Y-HB2 B 3.07 ambi=2 { CB:39.5 } :: atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 186 14Y-HB3 B 2.82 ambi=2 { CB:39.5 } ::sumAvg: 4.72 atom: 185 14Y-HB2 B 3.07 ambi=2 { CB:39.5 } atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } :: atom: 186 14Y-HB3 B 2.82 ambi=2 { CB:39.5 } atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } ::sumAvg: 4.72 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } ::sumAvg: 3.335 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } ::sumAvg: 4.015 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 199 15D-H N 7.62 ambi=1 { N:119.6 } ::sumAvg: 4.975 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 207 16T-H N 7.56 ambi=1 { N:113.1 } ::sumAvg: 4.13 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 210 16T-HG1 G1 6.25 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.81 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 211 16T-HG2 G2 1.48 ambi=1 { CG2:23.8 } ::sumAvg: 3.845 atom: 393 31F-HB2 B 2.31 ambi=2 { CB:38.5 } atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } :: atom: 394 31F-HB3 B 2.28 ambi=2 { CB:38.5 } atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } ::sumAvg: 3.725 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } ::sumAvg: 2.85 atom: 129 10A-HB B 1.02 ambi=1 { CB:17.3 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } ::sumAvg: 3.04 atom: 135 11Q-HA A 4.13 ambi=1 { CA:59.2 } atom: 138 11Q-QG G 2.35 ambi=2 { CG:34.3 } ::sumAvg: 2.67 atom: 135 11Q-HA A 4.13 ambi=1 { CA:59.2 } atom: 166 13K-H N 8.44 ambi=1 { N:117.7 } ::sumAvg: 4.615 atom: 135 11Q-HA A 4.13 ambi=1 { CA:59.2 } atom: 199 15D-H N 7.62 ambi=1 { N:119.6 } ::sumAvg: 3.01 atom: 200 15D-HA A 4.81 ambi=1 { CA:55.1 } atom: 135 11Q-HA A 4.13 ambi=1 { CA:59.2 } ::sumAvg: 2.615 atom: 135 11Q-HA A 4.13 ambi=1 { CA:59.2 } atom: 201 15D-HB2 B 3.2 ambi=2 { CB:39.3 } :: atom: 135 11Q-HA A 4.13 ambi=1 { CA:59.2 } atom: 202 15D-HB3 B 2.56 ambi=2 { CB:39.3 } ::sumAvg: 4.83 atom: 201 15D-HB2 B 3.2 ambi=2 { CB:39.3 } atom: 135 11Q-HA A 4.13 ambi=1 { CA:59.2 } :: atom: 202 15D-HB3 B 2.56 ambi=2 { CB:39.3 } atom: 135 11Q-HA A 4.13 ambi=1 { CA:59.2 } ::sumAvg: 4.83 atom: 135 11Q-HA A 4.13 ambi=1 { CA:59.2 } atom: 211 16T-HG2 G2 1.48 ambi=1 { CG2:23.8 } ::sumAvg: 4.365 atom: 211 16T-HG2 G2 1.48 ambi=1 { CG2:23.8 } atom: 135 11Q-HA A 4.13 ambi=1 { CA:59.2 } ::sumAvg: 4.365 atom: 136 11Q-HB2 B 2.31 ambi=2 { CB:28.6 } atom: 150 12K-HA A 3.89 ambi=1 { CA:58.8 } :: atom: 137 11Q-HB3 B 2.18 ambi=2 { CB:28.6 } atom: 150 12K-HA A 3.89 ambi=1 { CA:58.8 } ::sumAvg: 4.285 atom: 136 11Q-HB2 B 2.31 ambi=2 { CB:28.6 } atom: 151 12K-HB2 B 1.72 ambi=2 { CB:32.7 } :: atom: 136 11Q-HB2 B 2.31 ambi=2 { CB:28.6 } atom: 152 12K-HB3 B 1.62 ambi=2 { CB:32.7 } :: atom: 137 11Q-HB3 B 2.18 ambi=2 { CB:28.6 } atom: 151 12K-HB2 B 1.72 ambi=2 { CB:32.7 } :: atom: 137 11Q-HB3 B 2.18 ambi=2 { CB:28.6 } atom: 152 12K-HB3 B 1.62 ambi=2 { CB:32.7 } ::sumAvg: 4.745 atom: 151 12K-HB2 B 1.72 ambi=2 { CB:32.7 } atom: 136 11Q-HB2 B 2.31 ambi=2 { CB:28.6 } :: atom: 152 12K-HB3 B 1.62 ambi=2 { CB:32.7 } atom: 136 11Q-HB2 B 2.31 ambi=2 { CB:28.6 } :: atom: 151 12K-HB2 B 1.72 ambi=2 { CB:32.7 } atom: 137 11Q-HB3 B 2.18 ambi=2 { CB:28.6 } :: atom: 152 12K-HB3 B 1.62 ambi=2 { CB:32.7 } atom: 137 11Q-HB3 B 2.18 ambi=2 { CB:28.6 } ::sumAvg: 4.745 atom: 136 11Q-HB2 B 2.31 ambi=2 { CB:28.6 } atom: 140 11Q-HE21 E2 7.27 ambi=1 { NE2:111.7 } :: atom: 136 11Q-HB2 B 2.31 ambi=2 { CB:28.6 } atom: 141 11Q-HE22 E2 6.75 ambi=1 { NE2:111.7 } :: atom: 137 11Q-HB3 B 2.18 ambi=2 { CB:28.6 } atom: 140 11Q-HE21 E2 7.27 ambi=1 { NE2:111.7 } :: atom: 137 11Q-HB3 B 2.18 ambi=2 { CB:28.6 } atom: 141 11Q-HE22 E2 6.75 ambi=1 { NE2:111.7 } ::sumAvg: 3.665 atom: 136 11Q-HB2 B 2.31 ambi=2 { CB:28.6 } atom: 153 12K-QG G 1.36 ambi=2 { CG:25.1 } :: atom: 137 11Q-HB3 B 2.18 ambi=2 { CB:28.6 } atom: 153 12K-QG G 1.36 ambi=2 { CG:25.1 } ::sumAvg: 4.66 atom: 153 12K-QG G 1.36 ambi=2 { CG:25.1 } atom: 136 11Q-HB2 B 2.31 ambi=2 { CB:28.6 } :: atom: 153 12K-QG G 1.36 ambi=2 { CG:25.1 } atom: 137 11Q-HB3 B 2.18 ambi=2 { CB:28.6 } ::sumAvg: 4.66 atom: 136 11Q-HB2 B 2.31 ambi=2 { CB:28.6 } atom: 199 15D-H N 7.62 ambi=1 { N:119.6 } :: atom: 137 11Q-HB3 B 2.18 ambi=2 { CB:28.6 } atom: 199 15D-H N 7.62 ambi=1 { N:119.6 } ::sumAvg: 4.64 atom: 200 15D-HA A 4.81 ambi=1 { CA:55.1 } atom: 136 11Q-HB2 B 2.31 ambi=2 { CB:28.6 } :: atom: 200 15D-HA A 4.81 ambi=1 { CA:55.1 } atom: 137 11Q-HB3 B 2.18 ambi=2 { CB:28.6 } ::sumAvg: 3.42 atom: 200 15D-HA A 4.81 ambi=1 { CA:55.1 } atom: 138 11Q-QG G 2.35 ambi=2 { CG:34.3 } ::sumAvg: 4.205 atom: 138 11Q-QG G 2.35 ambi=2 { CG:34.3 } atom: 207 16T-H N 7.56 ambi=1 { N:113.1 } ::sumAvg: 3.995 atom: 138 11Q-QG G 2.35 ambi=2 { CG:34.3 } atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } ::sumAvg: 3.705 atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } atom: 138 11Q-QG G 2.35 ambi=2 { CG:34.3 } ::sumAvg: 3.705 atom: 138 11Q-QG G 2.35 ambi=2 { CG:34.3 } atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } :: atom: 138 11Q-QG G 2.35 ambi=2 { CG:34.3 } atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } ::sumAvg: 3.605 atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } atom: 138 11Q-QG G 2.35 ambi=2 { CG:34.3 } :: atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } atom: 138 11Q-QG G 2.35 ambi=2 { CG:34.3 } ::sumAvg: 3.605 atom: 138 11Q-QG G 2.35 ambi=2 { CG:34.3 } atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } ::sumAvg: 4.925 atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } atom: 140 11Q-HE21 E2 7.27 ambi=1 { NE2:111.7 } :: atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } atom: 141 11Q-HE22 E2 6.75 ambi=1 { NE2:111.7 } ::sumAvg: 3.13 atom: 219 17K-HB2 B 1.66 ambi=2 { CB:32.8 } atom: 140 11Q-HE21 E2 7.27 ambi=1 { NE2:111.7 } :: atom: 220 17K-HB3 B 1.77 ambi=2 { CB:32.8 } atom: 140 11Q-HE21 E2 7.27 ambi=1 { NE2:111.7 } :: atom: 219 17K-HB2 B 1.66 ambi=2 { CB:32.8 } atom: 141 11Q-HE22 E2 6.75 ambi=1 { NE2:111.7 } :: atom: 220 17K-HB3 B 1.77 ambi=2 { CB:32.8 } atom: 141 11Q-HE22 E2 6.75 ambi=1 { NE2:111.7 } ::sumAvg: 4.645 atom: 223 17K-QE E 2.85 ambi=2 { CE:42.1 } atom: 140 11Q-HE21 E2 7.27 ambi=1 { NE2:111.7 } :: atom: 223 17K-QE E 2.85 ambi=2 { CE:42.1 } atom: 141 11Q-HE22 E2 6.75 ambi=1 { NE2:111.7 } ::sumAvg: 4.67 atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } atom: 140 11Q-HE21 E2 7.27 ambi=1 { NE2:111.7 } :: atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } atom: 140 11Q-HE21 E2 7.27 ambi=1 { NE2:111.7 } :: atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } atom: 141 11Q-HE22 E2 6.75 ambi=1 { NE2:111.7 } :: atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } atom: 141 11Q-HE22 E2 6.75 ambi=1 { NE2:111.7 } ::sumAvg: 3.905 atom: 155 12K-QD D 1.625 ambi=2 { CD:29.1 } atom: 149 12K-H N 8.04 ambi=1 { N:119.3 } ::sumAvg: 4.155 atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } atom: 149 12K-H N 8.04 ambi=1 { N:119.3 } :: atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } atom: 149 12K-H N 8.04 ambi=1 { N:119.3 } ::sumAvg: 4.93 atom: 153 12K-QG G 1.36 ambi=2 { CG:25.1 } atom: 166 13K-H N 8.44 ambi=1 { N:117.7 } ::sumAvg: 3.875 atom: 153 12K-QG G 1.36 ambi=2 { CG:25.1 } atom: 167 13K-HA A 3.61 ambi=1 { CA:56.9 } ::sumAvg: 4.65 atom: 167 13K-HA A 3.61 ambi=1 { CA:56.9 } atom: 153 12K-QG G 1.36 ambi=2 { CG:25.1 } ::sumAvg: 4.65 atom: 155 12K-QD D 1.625 ambi=2 { CD:29.1 } atom: 166 13K-H N 8.44 ambi=1 { N:117.7 } ::sumAvg: 4.64 atom: 292 23E-HA A 4 ambi=1 { CA:59.1 } atom: 338 26P-HB2 B 2.25 ambi=2 { CB:32.2 } :: atom: 292 23E-HA A 4 ambi=1 { CA:59.1 } atom: 339 26P-HB3 B 1.88 ambi=2 { CB:32.2 } ::sumAvg: 4.52 atom: 292 23E-HA A 4 ambi=1 { CA:59.1 } atom: 340 26P-HG2 G 1.95 ambi=2 { CG:26.8 } :: atom: 292 23E-HA A 4 ambi=1 { CA:59.1 } atom: 341 26P-HG3 G 1.87 ambi=2 { CG:26.8 } ::sumAvg: 4.71 atom: 340 26P-HG2 G 1.95 ambi=2 { CG:26.8 } atom: 292 23E-HA A 4 ambi=1 { CA:59.1 } :: atom: 341 26P-HG3 G 1.87 ambi=2 { CG:26.8 } atom: 292 23E-HA A 4 ambi=1 { CA:59.1 } ::sumAvg: 4.71 atom: 292 23E-HA A 4 ambi=1 { CA:59.1 } atom: 342 26P-HD2 D 3.26 ambi=2 { CD:50 } :: atom: 292 23E-HA A 4 ambi=1 { CA:59.1 } atom: 343 26P-HD3 D 3.52 ambi=2 { CD:50 } ::sumAvg: 4.035 atom: 342 26P-HD2 D 3.26 ambi=2 { CD:50 } atom: 292 23E-HA A 4 ambi=1 { CA:59.1 } :: atom: 343 26P-HD3 D 3.52 ambi=2 { CD:50 } atom: 292 23E-HA A 4 ambi=1 { CA:59.1 } ::sumAvg: 4.035 atom: 293 23E-HB2 B 2 ambi=2 { CB:29.2 } atom: 303 24K-HA A 3.89 ambi=1 { CA:57.1 } :: atom: 294 23E-HB3 B 2.06 ambi=2 { CB:29.2 } atom: 303 24K-HA A 3.89 ambi=1 { CA:57.1 } ::sumAvg: 4.755 atom: 172 13K-HD2 D 1.07 ambi=2 { CD:27.9 } atom: 166 13K-H N 8.44 ambi=1 { N:117.7 } :: atom: 173 13K-HD3 D 0.9 ambi=2 { CD:27.9 } atom: 166 13K-H N 8.44 ambi=1 { N:117.7 } ::sumAvg: 4.405 atom: 167 13K-HA A 3.61 ambi=1 { CA:56.9 } atom: 174 13K-HE2 E 2.47 ambi=2 { CE:42.1 } :: atom: 167 13K-HA A 3.61 ambi=1 { CA:56.9 } atom: 175 13K-HE3 E 2.58 ambi=2 { CE:42.1 } ::sumAvg: 4.09 atom: 174 13K-HE2 E 2.47 ambi=2 { CE:42.1 } atom: 167 13K-HA A 3.61 ambi=1 { CA:56.9 } :: atom: 175 13K-HE3 E 2.58 ambi=2 { CE:42.1 } atom: 167 13K-HA A 3.61 ambi=1 { CA:56.9 } ::sumAvg: 4.09 atom: 167 13K-HA A 3.61 ambi=1 { CA:56.9 } atom: 184 14Y-HA A 4.53 ambi=1 { CA:56.6 } ::sumAvg: 4.59 atom: 184 14Y-HA A 4.53 ambi=1 { CA:56.6 } atom: 167 13K-HA A 3.61 ambi=1 { CA:56.9 } ::sumAvg: 4.59 atom: 167 13K-HA A 3.61 ambi=1 { CA:56.9 } atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } ::sumAvg: 4.805 atom: 167 13K-HA A 3.61 ambi=1 { CA:56.9 } atom: 199 15D-H N 7.62 ambi=1 { N:119.6 } ::sumAvg: 4.66 atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } atom: 174 13K-HE2 E 2.47 ambi=2 { CE:42.1 } :: atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } atom: 175 13K-HE3 E 2.58 ambi=2 { CE:42.1 } :: atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } atom: 174 13K-HE2 E 2.47 ambi=2 { CE:42.1 } :: atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } atom: 175 13K-HE3 E 2.58 ambi=2 { CE:42.1 } ::sumAvg: 3.275 atom: 174 13K-HE2 E 2.47 ambi=2 { CE:42.1 } atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } :: atom: 175 13K-HE3 E 2.58 ambi=2 { CE:42.1 } atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } :: atom: 174 13K-HE2 E 2.47 ambi=2 { CE:42.1 } atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } :: atom: 175 13K-HE3 E 2.58 ambi=2 { CE:42.1 } atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } ::sumAvg: 3.275 atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } atom: 184 14Y-HA A 4.53 ambi=1 { CA:56.6 } :: atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } atom: 184 14Y-HA A 4.53 ambi=1 { CA:56.6 } ::sumAvg: 4.535 atom: 184 14Y-HA A 4.53 ambi=1 { CA:56.6 } atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } :: atom: 184 14Y-HA A 4.53 ambi=1 { CA:56.6 } atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } ::sumAvg: 4.535 atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } atom: 185 14Y-HB2 B 3.07 ambi=2 { CB:39.5 } :: atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } atom: 186 14Y-HB3 B 2.82 ambi=2 { CB:39.5 } :: atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } atom: 185 14Y-HB2 B 3.07 ambi=2 { CB:39.5 } :: atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } atom: 186 14Y-HB3 B 2.82 ambi=2 { CB:39.5 } ::sumAvg: 4.4 atom: 185 14Y-HB2 B 3.07 ambi=2 { CB:39.5 } atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } :: atom: 186 14Y-HB3 B 2.82 ambi=2 { CB:39.5 } atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } :: atom: 185 14Y-HB2 B 3.07 ambi=2 { CB:39.5 } atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } :: atom: 186 14Y-HB3 B 2.82 ambi=2 { CB:39.5 } atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } ::sumAvg: 4.4 atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } :: atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } ::sumAvg: 2.98 atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } :: atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } ::sumAvg: 3.47 atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } atom: 199 15D-H N 7.62 ambi=1 { N:119.6 } :: atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } atom: 199 15D-H N 7.62 ambi=1 { N:119.6 } ::sumAvg: 4.6 atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } :: atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } ::sumAvg: 4.4 atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } atom: 168 13K-HB2 B 0.43 ambi=2 { CB:32 } :: atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } atom: 169 13K-HB3 B 0.32 ambi=2 { CB:32 } ::sumAvg: 4.4 atom: 170 13K-HG2 G 0.09 ambi=2 { CG:23.6 } atom: 183 14Y-H N 6.78 ambi=1 { N:113.1 } :: atom: 171 13K-HG3 G -0.31 ambi=2 { CG:23.6 } atom: 183 14Y-H N 6.78 ambi=1 { N:113.1 } ::sumAvg: 4.14 atom: 170 13K-HG2 G 0.09 ambi=2 { CG:23.6 } atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } :: atom: 171 13K-HG3 G -0.31 ambi=2 { CG:23.6 } atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } ::sumAvg: 3.75 atom: 170 13K-HG2 G 0.09 ambi=2 { CG:23.6 } atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } :: atom: 171 13K-HG3 G -0.31 ambi=2 { CG:23.6 } atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } ::sumAvg: 4.08 atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } atom: 170 13K-HG2 G 0.09 ambi=2 { CG:23.6 } :: atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } atom: 171 13K-HG3 G -0.31 ambi=2 { CG:23.6 } ::sumAvg: 4.08 atom: 172 13K-HD2 D 1.07 ambi=2 { CD:27.9 } atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } :: atom: 173 13K-HD3 D 0.9 ambi=2 { CD:27.9 } atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } ::sumAvg: 4.5 atom: 174 13K-HE2 E 2.47 ambi=2 { CE:42.1 } atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } :: atom: 175 13K-HE3 E 2.58 ambi=2 { CE:42.1 } atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } ::sumAvg: 4.9 atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } atom: 174 13K-HE2 E 2.47 ambi=2 { CE:42.1 } :: atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } atom: 175 13K-HE3 E 2.58 ambi=2 { CE:42.1 } ::sumAvg: 4.9 atom: 174 13K-HE2 E 2.47 ambi=2 { CE:42.1 } atom: 1290 110E-HA A 4.28 ambi=1 { CA:58.8 } :: atom: 175 13K-HE3 E 2.58 ambi=2 { CE:42.1 } atom: 1290 110E-HA A 4.28 ambi=1 { CA:58.8 } ::sumAvg: 4.755 atom: 200 15D-HA A 4.81 ambi=1 { CA:55.1 } atom: 183 14Y-H N 6.78 ambi=1 { N:113.1 } ::sumAvg: 4.345 atom: 184 14Y-HA A 4.53 ambi=1 { CA:56.6 } atom: 201 15D-HB2 B 3.2 ambi=2 { CB:39.3 } :: atom: 184 14Y-HA A 4.53 ambi=1 { CA:56.6 } atom: 202 15D-HB3 B 2.56 ambi=2 { CB:39.3 } ::sumAvg: 4.36 atom: 201 15D-HB2 B 3.2 ambi=2 { CB:39.3 } atom: 184 14Y-HA A 4.53 ambi=1 { CA:56.6 } :: atom: 202 15D-HB3 B 2.56 ambi=2 { CB:39.3 } atom: 184 14Y-HA A 4.53 ambi=1 { CA:56.6 } ::sumAvg: 4.36 atom: 184 14Y-HA A 4.53 ambi=1 { CA:56.6 } atom: 207 16T-H N 7.56 ambi=1 { N:113.1 } ::sumAvg: 4.98 atom: 185 14Y-HB2 B 3.07 ambi=2 { CB:39.5 } atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } :: atom: 186 14Y-HB3 B 2.82 ambi=2 { CB:39.5 } atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } ::sumAvg: 4.43 atom: 185 14Y-HB2 B 3.07 ambi=2 { CB:39.5 } atom: 199 15D-H N 7.62 ambi=1 { N:119.6 } :: atom: 186 14Y-HB3 B 2.82 ambi=2 { CB:39.5 } atom: 199 15D-H N 7.62 ambi=1 { N:119.6 } ::sumAvg: 3.59 atom: 185 14Y-HB2 B 3.07 ambi=2 { CB:39.5 } atom: 207 16T-H N 7.56 ambi=1 { N:113.1 } :: atom: 186 14Y-HB3 B 2.82 ambi=2 { CB:39.5 } atom: 207 16T-H N 7.56 ambi=1 { N:113.1 } ::sumAvg: 3.76 atom: 185 14Y-HB2 B 3.07 ambi=2 { CB:39.5 } atom: 209 16T-HB B 3.91 ambi=1 { CB:71 } :: atom: 186 14Y-HB3 B 2.82 ambi=2 { CB:39.5 } atom: 209 16T-HB B 3.91 ambi=1 { CB:71 } ::sumAvg: 3.7 atom: 209 16T-HB B 3.91 ambi=1 { CB:71 } atom: 185 14Y-HB2 B 3.07 ambi=2 { CB:39.5 } :: atom: 209 16T-HB B 3.91 ambi=1 { CB:71 } atom: 186 14Y-HB3 B 2.82 ambi=2 { CB:39.5 } ::sumAvg: 3.7 atom: 185 14Y-HB2 B 3.07 ambi=2 { CB:39.5 } atom: 210 16T-HG1 G1 6.25 ambi=1 {attached_atom is not_assigned} :: atom: 186 14Y-HB3 B 2.82 ambi=2 { CB:39.5 } atom: 210 16T-HG1 G1 6.25 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.82 atom: 185 14Y-HB2 B 3.07 ambi=2 { CB:39.5 } atom: 211 16T-HG2 G2 1.48 ambi=1 { CG2:23.8 } :: atom: 186 14Y-HB3 B 2.82 ambi=2 { CB:39.5 } atom: 211 16T-HG2 G2 1.48 ambi=1 { CG2:23.8 } ::sumAvg: 3.66 atom: 211 16T-HG2 G2 1.48 ambi=1 { CG2:23.8 } atom: 185 14Y-HB2 B 3.07 ambi=2 { CB:39.5 } :: atom: 211 16T-HG2 G2 1.48 ambi=1 { CG2:23.8 } atom: 186 14Y-HB3 B 2.82 ambi=2 { CB:39.5 } ::sumAvg: 3.66 atom: 209 16T-HB B 3.91 ambi=1 { CB:71 } atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } ::sumAvg: 3.54 atom: 211 16T-HG2 G2 1.48 ambi=1 { CG2:23.8 } atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } ::sumAvg: 4.34 atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } atom: 187 14Y-QD D 6.19 ambi=3 { CD1:132.4 } ::sumAvg: 4.59 atom: 209 16T-HB B 3.91 ambi=1 { CB:71 } atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } ::sumAvg: 4.425 atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } ::sumAvg: 4.475 atom: 1318 113F-HB2 B 2.02 ambi=2 { CB:39.1 } atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } :: atom: 1319 113F-HB3 B 3.1 ambi=2 { CB:39.1 } atom: 189 14Y-QE E 6.03 ambi=3 { CE1:116 } ::sumAvg: 4.435 atom: 200 15D-HA A 4.81 ambi=1 { CA:55.1 } atom: 199 15D-H N 7.62 ambi=1 { N:119.6 } ::sumAvg: 2.35 atom: 211 16T-HG2 G2 1.48 ambi=1 { CG2:23.8 } atom: 199 15D-H N 7.62 ambi=1 { N:119.6 } ::sumAvg: 4.965 atom: 200 15D-HA A 4.81 ambi=1 { CA:55.1 } atom: 201 15D-HB2 B 3.2 ambi=2 { CB:39.3 } :: atom: 200 15D-HA A 4.81 ambi=1 { CA:55.1 } atom: 202 15D-HB3 B 2.56 ambi=2 { CB:39.3 } ::sumAvg: 2.48 atom: 200 15D-HA A 4.81 ambi=1 { CA:55.1 } atom: 207 16T-H N 7.56 ambi=1 { N:113.1 } ::sumAvg: 2.75 atom: 208 16T-HA A 4.65 ambi=1 { CA:61.5 } atom: 201 15D-HB2 B 3.2 ambi=2 { CB:39.3 } :: atom: 208 16T-HA A 4.65 ambi=1 { CA:61.5 } atom: 202 15D-HB3 B 2.56 ambi=2 { CB:39.3 } ::sumAvg: 4.59 atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } atom: 207 16T-H N 7.56 ambi=1 { N:113.1 } ::sumAvg: 4.95 atom: 208 16T-HA A 4.65 ambi=1 { CA:61.5 } atom: 210 16T-HG1 G1 6.25 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.905 atom: 209 16T-HB B 3.91 ambi=1 { CB:71 } atom: 210 16T-HG1 G1 6.25 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.535 atom: 393 31F-HB2 B 2.31 ambi=2 { CB:38.5 } atom: 209 16T-HB B 3.91 ambi=1 { CB:71 } :: atom: 394 31F-HB3 B 2.28 ambi=2 { CB:38.5 } atom: 209 16T-HB B 3.91 ambi=1 { CB:71 } ::sumAvg: 4.145 atom: 209 16T-HB B 3.91 ambi=1 { CB:71 } atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } ::sumAvg: 4.71 atom: 427 33H-HA A 4.71 ambi=1 { CA:56.5 } atom: 210 16T-HG1 G1 6.25 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.995 atom: 393 31F-HB2 B 2.31 ambi=2 { CB:38.5 } atom: 210 16T-HG1 G1 6.25 ambi=1 {attached_atom is not_assigned} :: atom: 394 31F-HB3 B 2.28 ambi=2 { CB:38.5 } atom: 210 16T-HG1 G1 6.25 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.955 atom: 233 18P-QB B 1.08 ambi=2 { CB:32.2 } atom: 211 16T-HG2 G2 1.48 ambi=1 { CG2:23.8 } ::sumAvg: 4.91 atom: 211 16T-HG2 G2 1.48 ambi=1 { CG2:23.8 } atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } :: atom: 211 16T-HG2 G2 1.48 ambi=1 { CG2:23.8 } atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } ::sumAvg: 4.225 atom: 427 33H-HA A 4.71 ambi=1 { CA:56.5 } atom: 211 16T-HG2 G2 1.48 ambi=1 { CG2:23.8 } ::sumAvg: 4.3 atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } atom: 211 16T-HG2 G2 1.48 ambi=1 { CG2:23.8 } ::sumAvg: 3.085 atom: 211 16T-HG2 G2 1.48 ambi=1 { CG2:23.8 } atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } ::sumAvg: 4.75 atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } atom: 211 16T-HG2 G2 1.48 ambi=1 { CG2:23.8 } ::sumAvg: 4.75 atom: 221 17K-QD D 1.47 ambi=2 { CD:28.8 } atom: 217 17K-H N 8.83 ambi=1 { N:127.2 } ::sumAvg: 4.35 atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } atom: 217 17K-H N 8.83 ambi=1 { N:127.2 } :: atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } atom: 217 17K-H N 8.83 ambi=1 { N:127.2 } ::sumAvg: 4.82 atom: 221 17K-QD D 1.47 ambi=2 { CD:28.8 } atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } ::sumAvg: 3.955 atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } atom: 223 17K-QE E 2.85 ambi=2 { CE:42.1 } ::sumAvg: 4.6 atom: 223 17K-QE E 2.85 ambi=2 { CE:42.1 } atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } ::sumAvg: 4.6 atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } atom: 232 18P-HA A 3.54 ambi=1 { CA:62 } ::sumAvg: 4.465 atom: 232 18P-HA A 3.54 ambi=1 { CA:62 } atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } ::sumAvg: 4.465 atom: 233 18P-QB B 1.08 ambi=2 { CB:32.2 } atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } ::sumAvg: 4.705 atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } atom: 235 18P-QG G 1.99 ambi=2 { CG:27.1 } ::sumAvg: 3.965 atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } ::sumAvg: 4.695 atom: 218 17K-HA A 4.69 ambi=1 { CA:53.6 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } ::sumAvg: 4.315 atom: 219 17K-HB2 B 1.66 ambi=2 { CB:32.8 } atom: 223 17K-QE E 2.85 ambi=2 { CE:42.1 } :: atom: 220 17K-HB3 B 1.77 ambi=2 { CB:32.8 } atom: 223 17K-QE E 2.85 ambi=2 { CE:42.1 } ::sumAvg: 3.96 atom: 223 17K-QE E 2.85 ambi=2 { CE:42.1 } atom: 219 17K-HB2 B 1.66 ambi=2 { CB:32.8 } :: atom: 223 17K-QE E 2.85 ambi=2 { CE:42.1 } atom: 220 17K-HB3 B 1.77 ambi=2 { CB:32.8 } ::sumAvg: 3.96 atom: 221 17K-QD D 1.47 ambi=2 { CD:28.8 } atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } :: atom: 221 17K-QD D 1.47 ambi=2 { CD:28.8 } atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } ::sumAvg: 4.375 atom: 223 17K-QE E 2.85 ambi=2 { CE:42.1 } atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } :: atom: 223 17K-QE E 2.85 ambi=2 { CE:42.1 } atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } ::sumAvg: 4.78 atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } atom: 223 17K-QE E 2.85 ambi=2 { CE:42.1 } :: atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } atom: 223 17K-QE E 2.85 ambi=2 { CE:42.1 } ::sumAvg: 4.78 atom: 245 19D-HA A 4.74 ambi=1 { CA:52.3 } atom: 232 18P-HA A 3.54 ambi=1 { CA:62 } ::sumAvg: 4.505 atom: 246 19D-QB B 2.24 ambi=2 { CB:43.7 } atom: 232 18P-HA A 3.54 ambi=1 { CA:62 } ::sumAvg: 4.345 atom: 232 18P-HA A 3.54 ambi=1 { CA:62 } atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } ::sumAvg: 4.97 atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } atom: 232 18P-HA A 3.54 ambi=1 { CA:62 } ::sumAvg: 4.97 atom: 232 18P-HA A 3.54 ambi=1 { CA:62 } atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } ::sumAvg: 3.61 atom: 232 18P-HA A 3.54 ambi=1 { CA:62 } atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } ::sumAvg: 4.715 atom: 233 18P-QB B 1.08 ambi=2 { CB:32.2 } atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } :: atom: 233 18P-QB B 1.08 ambi=2 { CB:32.2 } atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } ::sumAvg: 2.87 atom: 245 19D-HA A 4.74 ambi=1 { CA:52.3 } atom: 233 18P-QB B 1.08 ambi=2 { CB:32.2 } ::sumAvg: 4.165 atom: 246 19D-QB B 2.24 ambi=2 { CB:43.7 } atom: 233 18P-QB B 1.08 ambi=2 { CB:32.2 } ::sumAvg: 4.85 atom: 233 18P-QB B 1.08 ambi=2 { CB:32.2 } atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } ::sumAvg: 3.23 atom: 233 18P-QB B 1.08 ambi=2 { CB:32.2 } atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } ::sumAvg: 4.45 atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } atom: 233 18P-QB B 1.08 ambi=2 { CB:32.2 } ::sumAvg: 4.45 atom: 233 18P-QB B 1.08 ambi=2 { CB:32.2 } atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } ::sumAvg: 3.985 atom: 235 18P-QG G 1.99 ambi=2 { CG:27.1 } atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } ::sumAvg: 4.965 atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } atom: 235 18P-QG G 1.99 ambi=2 { CG:27.1 } ::sumAvg: 4.965 atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } atom: 235 18P-QG G 1.99 ambi=2 { CG:27.1 } ::sumAvg: 3.18 atom: 235 18P-QG G 1.99 ambi=2 { CG:27.1 } atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } ::sumAvg: 4.765 atom: 235 18P-QG G 1.99 ambi=2 { CG:27.1 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } ::sumAvg: 3.02 atom: 235 18P-QG G 1.99 ambi=2 { CG:27.1 } atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } ::sumAvg: 3.185 atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } :: atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } ::sumAvg: 4.935 atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } :: atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } ::sumAvg: 3.995 atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } :: atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } ::sumAvg: 2.61 atom: 237 18P-HD2 D 3.69 ambi=2 { CD:50 } atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } :: atom: 238 18P-HD3 D 3.62 ambi=2 { CD:50 } atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } ::sumAvg: 3.99 atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } atom: 244 19D-H N 8.31 ambi=1 { N:120.3 } :: atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } atom: 244 19D-H N 8.31 ambi=1 { N:120.3 } ::sumAvg: 4.97 atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } atom: 244 19D-H N 8.31 ambi=1 { N:120.3 } ::sumAvg: 4.12 atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } atom: 244 19D-H N 8.31 ambi=1 { N:120.3 } ::sumAvg: 4.59 atom: 382 30V-HB B 0.99 ambi=1 { CB:34.1 } atom: 244 19D-H N 8.31 ambi=1 { N:120.3 } ::sumAvg: 3.52 atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } atom: 244 19D-H N 8.31 ambi=1 { N:120.3 } :: atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } atom: 244 19D-H N 8.31 ambi=1 { N:120.3 } ::sumAvg: 4.39 atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } atom: 244 19D-H N 8.31 ambi=1 { N:120.3 } ::sumAvg: 3.96 atom: 245 19D-HA A 4.74 ambi=1 { CA:52.3 } atom: 253 20H-HA A 5.17 ambi=1 { CA:53.2 } ::sumAvg: 4.49 atom: 253 20H-HA A 5.17 ambi=1 { CA:53.2 } atom: 245 19D-HA A 4.74 ambi=1 { CA:52.3 } ::sumAvg: 4.49 atom: 245 19D-HA A 4.74 ambi=1 { CA:52.3 } atom: 254 20H-HB2 B 3.09 ambi=2 { CB:28.8 } :: atom: 245 19D-HA A 4.74 ambi=1 { CA:52.3 } atom: 255 20H-HB3 B 3.38 ambi=2 { CB:28.8 } ::sumAvg: 4.555 atom: 245 19D-HA A 4.74 ambi=1 { CA:52.3 } atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } ::sumAvg: 4.435 atom: 246 19D-QB B 2.24 ambi=2 { CB:43.7 } atom: 253 20H-HA A 5.17 ambi=1 { CA:53.2 } ::sumAvg: 4.2 atom: 253 20H-HA A 5.17 ambi=1 { CA:53.2 } atom: 246 19D-QB B 2.24 ambi=2 { CB:43.7 } ::sumAvg: 4.2 atom: 262 21P-HG2 G 0.3 ambi=2 { CG:25.5 } atom: 246 19D-QB B 2.24 ambi=2 { CB:43.7 } :: atom: 263 21P-HG3 G 0.93 ambi=2 { CG:25.5 } atom: 246 19D-QB B 2.24 ambi=2 { CB:43.7 } ::sumAvg: 4.765 atom: 246 19D-QB B 2.24 ambi=2 { CB:43.7 } atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } :: atom: 246 19D-QB B 2.24 ambi=2 { CB:43.7 } atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } ::sumAvg: 3.425 atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } atom: 246 19D-QB B 2.24 ambi=2 { CB:43.7 } :: atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } atom: 246 19D-QB B 2.24 ambi=2 { CB:43.7 } ::sumAvg: 3.425 atom: 246 19D-QB B 2.24 ambi=2 { CB:43.7 } atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } ::sumAvg: 3.895 atom: 246 19D-QB B 2.24 ambi=2 { CB:43.7 } atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } ::sumAvg: 4.91 atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } atom: 246 19D-QB B 2.24 ambi=2 { CB:43.7 } ::sumAvg: 4.91 atom: 259 21P-HA A 4.19 ambi=1 { CA:63.9 } atom: 252 20H-H N 8.62 ambi=1 { N:118.8 } ::sumAvg: 4.75 atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } atom: 252 20H-H N 8.62 ambi=1 { N:118.8 } :: atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } atom: 252 20H-H N 8.62 ambi=1 { N:118.8 } ::sumAvg: 3.85 atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } atom: 252 20H-H N 8.62 ambi=1 { N:118.8 } ::sumAvg: 4.81 atom: 253 20H-HA A 5.17 ambi=1 { CA:53.2 } atom: 259 21P-HA A 4.19 ambi=1 { CA:63.9 } ::sumAvg: 4.535 atom: 259 21P-HA A 4.19 ambi=1 { CA:63.9 } atom: 253 20H-HA A 5.17 ambi=1 { CA:53.2 } ::sumAvg: 4.535 atom: 253 20H-HA A 5.17 ambi=1 { CA:53.2 } atom: 262 21P-HG2 G 0.3 ambi=2 { CG:25.5 } :: atom: 253 20H-HA A 5.17 ambi=1 { CA:53.2 } atom: 263 21P-HG3 G 0.93 ambi=2 { CG:25.5 } ::sumAvg: 4.345 atom: 262 21P-HG2 G 0.3 ambi=2 { CG:25.5 } atom: 253 20H-HA A 5.17 ambi=1 { CA:53.2 } :: atom: 263 21P-HG3 G 0.93 ambi=2 { CG:25.5 } atom: 253 20H-HA A 5.17 ambi=1 { CA:53.2 } ::sumAvg: 4.345 atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } atom: 253 20H-HA A 5.17 ambi=1 { CA:53.2 } :: atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } atom: 253 20H-HA A 5.17 ambi=1 { CA:53.2 } ::sumAvg: 2.145 atom: 253 20H-HA A 5.17 ambi=1 { CA:53.2 } atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } ::sumAvg: 3.595 atom: 253 20H-HA A 5.17 ambi=1 { CA:53.2 } atom: 382 30V-HB B 0.99 ambi=1 { CB:34.1 } ::sumAvg: 4.28 atom: 382 30V-HB B 0.99 ambi=1 { CB:34.1 } atom: 253 20H-HA A 5.17 ambi=1 { CA:53.2 } ::sumAvg: 4.28 atom: 255 20H-HB3 B 3.38 ambi=2 { CB:28.8 } atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } ::sumAvg: 4.025 atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } atom: 255 20H-HB3 B 3.38 ambi=2 { CB:28.8 } ::sumAvg: 4.025 atom: 254 20H-HB2 B 3.09 ambi=2 { CB:28.8 } atom: 337 26P-HA A 4.38 ambi=1 { CA:64.9 } :: atom: 255 20H-HB3 B 3.38 ambi=2 { CB:28.8 } atom: 337 26P-HA A 4.38 ambi=1 { CA:64.9 } ::sumAvg: 3.245 atom: 337 26P-HA A 4.38 ambi=1 { CA:64.9 } atom: 254 20H-HB2 B 3.09 ambi=2 { CB:28.8 } :: atom: 337 26P-HA A 4.38 ambi=1 { CA:64.9 } atom: 255 20H-HB3 B 3.38 ambi=2 { CB:28.8 } ::sumAvg: 3.245 atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 254 20H-HB2 B 3.09 ambi=2 { CB:28.8 } :: atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 255 20H-HB3 B 3.38 ambi=2 { CB:28.8 } :: atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } atom: 255 20H-HB3 B 3.38 ambi=2 { CB:28.8 } ::sumAvg: 4.73 atom: 254 20H-HB2 B 3.09 ambi=2 { CB:28.8 } atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } :: atom: 255 20H-HB3 B 3.38 ambi=2 { CB:28.8 } atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } ::sumAvg: 3.655 atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } atom: 254 20H-HB2 B 3.09 ambi=2 { CB:28.8 } :: atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } atom: 255 20H-HB3 B 3.38 ambi=2 { CB:28.8 } ::sumAvg: 3.655 atom: 254 20H-HB2 B 3.09 ambi=2 { CB:28.8 } atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } :: atom: 255 20H-HB3 B 3.38 ambi=2 { CB:28.8 } atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } ::sumAvg: 4.945 atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } atom: 254 20H-HB2 B 3.09 ambi=2 { CB:28.8 } :: atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } atom: 255 20H-HB3 B 3.38 ambi=2 { CB:28.8 } ::sumAvg: 4.945 atom: 254 20H-HB2 B 3.09 ambi=2 { CB:28.8 } atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } :: atom: 255 20H-HB3 B 3.38 ambi=2 { CB:28.8 } atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } ::sumAvg: 4.64 atom: 254 20H-HB2 B 3.09 ambi=2 { CB:28.8 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 254 20H-HB2 B 3.09 ambi=2 { CB:28.8 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } :: atom: 255 20H-HB3 B 3.38 ambi=2 { CB:28.8 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 255 20H-HB3 B 3.38 ambi=2 { CB:28.8 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 4.73 atom: 259 21P-HA A 4.19 ambi=1 { CA:63.9 } atom: 262 21P-HG2 G 0.3 ambi=2 { CG:25.5 } :: atom: 259 21P-HA A 4.19 ambi=1 { CA:63.9 } atom: 263 21P-HG3 G 0.93 ambi=2 { CG:25.5 } ::sumAvg: 3.405 atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } atom: 259 21P-HA A 4.19 ambi=1 { CA:63.9 } :: atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } atom: 259 21P-HA A 4.19 ambi=1 { CA:63.9 } ::sumAvg: 3.62 atom: 259 21P-HA A 4.19 ambi=1 { CA:63.9 } atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } ::sumAvg: 4.68 atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } atom: 259 21P-HA A 4.19 ambi=1 { CA:63.9 } ::sumAvg: 4.68 atom: 260 21P-HB2 B 1.78 ambi=2 { CB:32.1 } atom: 261 21P-HB3 B 0.73 ambi=2 { CB:32.1 } :: atom: 261 21P-HB3 B 0.73 ambi=2 { CB:32.1 } atom: 260 21P-HB2 B 1.78 ambi=2 { CB:32.1 } ::sumAvg: 1.8 atom: 261 21P-HB3 B 0.73 ambi=2 { CB:32.1 } atom: 260 21P-HB2 B 1.78 ambi=2 { CB:32.1 } :: atom: 260 21P-HB2 B 1.78 ambi=2 { CB:32.1 } atom: 261 21P-HB3 B 0.73 ambi=2 { CB:32.1 } ::sumAvg: 1.8 atom: 260 21P-HB2 B 1.78 ambi=2 { CB:32.1 } atom: 262 21P-HG2 G 0.3 ambi=2 { CG:25.5 } :: atom: 260 21P-HB2 B 1.78 ambi=2 { CB:32.1 } atom: 263 21P-HG3 G 0.93 ambi=2 { CG:25.5 } :: atom: 261 21P-HB3 B 0.73 ambi=2 { CB:32.1 } atom: 262 21P-HG2 G 0.3 ambi=2 { CG:25.5 } ::sumAvg: 2.34 atom: 260 21P-HB2 B 1.78 ambi=2 { CB:32.1 } atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } :: atom: 260 21P-HB2 B 1.78 ambi=2 { CB:32.1 } atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } :: atom: 261 21P-HB3 B 0.73 ambi=2 { CB:32.1 } atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } :: atom: 261 21P-HB3 B 0.73 ambi=2 { CB:32.1 } atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } ::sumAvg: 2.995 atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } atom: 260 21P-HB2 B 1.78 ambi=2 { CB:32.1 } :: atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } atom: 260 21P-HB2 B 1.78 ambi=2 { CB:32.1 } :: atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } atom: 261 21P-HB3 B 0.73 ambi=2 { CB:32.1 } :: atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } atom: 261 21P-HB3 B 0.73 ambi=2 { CB:32.1 } ::sumAvg: 2.995 atom: 260 21P-HB2 B 1.78 ambi=2 { CB:32.1 } atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } :: atom: 261 21P-HB3 B 0.73 ambi=2 { CB:32.1 } atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } ::sumAvg: 4.26 atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } atom: 260 21P-HB2 B 1.78 ambi=2 { CB:32.1 } :: atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } atom: 261 21P-HB3 B 0.73 ambi=2 { CB:32.1 } ::sumAvg: 4.26 atom: 260 21P-HB2 B 1.78 ambi=2 { CB:32.1 } atom: 275 22W-HD1 D1 7.39 ambi=1 { CD1:126.3 } :: atom: 261 21P-HB3 B 0.73 ambi=2 { CB:32.1 } atom: 275 22W-HD1 D1 7.39 ambi=1 { CD1:126.3 } ::sumAvg: 4.495 atom: 260 21P-HB2 B 1.78 ambi=2 { CB:32.1 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 260 21P-HB2 B 1.78 ambi=2 { CB:32.1 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } :: atom: 261 21P-HB3 B 0.73 ambi=2 { CB:32.1 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 261 21P-HB3 B 0.73 ambi=2 { CB:32.1 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 4.095 atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } atom: 262 21P-HG2 G 0.3 ambi=2 { CG:25.5 } :: atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } atom: 262 21P-HG2 G 0.3 ambi=2 { CG:25.5 } :: atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } atom: 263 21P-HG3 G 0.93 ambi=2 { CG:25.5 } :: atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } atom: 263 21P-HG3 G 0.93 ambi=2 { CG:25.5 } ::sumAvg: 2.345 atom: 262 21P-HG2 G 0.3 ambi=2 { CG:25.5 } atom: 271 22W-H N 8.34 ambi=1 { N:118.7 } :: atom: 263 21P-HG3 G 0.93 ambi=2 { CG:25.5 } atom: 271 22W-H N 8.34 ambi=1 { N:118.7 } ::sumAvg: 3.235 atom: 262 21P-HG2 G 0.3 ambi=2 { CG:25.5 } atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } :: atom: 262 21P-HG2 G 0.3 ambi=2 { CG:25.5 } atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } :: atom: 263 21P-HG3 G 0.93 ambi=2 { CG:25.5 } atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } :: atom: 263 21P-HG3 G 0.93 ambi=2 { CG:25.5 } atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } ::sumAvg: 4.92 atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } atom: 262 21P-HG2 G 0.3 ambi=2 { CG:25.5 } :: atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } atom: 262 21P-HG2 G 0.3 ambi=2 { CG:25.5 } :: atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } atom: 263 21P-HG3 G 0.93 ambi=2 { CG:25.5 } :: atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } atom: 263 21P-HG3 G 0.93 ambi=2 { CG:25.5 } ::sumAvg: 4.92 atom: 262 21P-HG2 G 0.3 ambi=2 { CG:25.5 } atom: 382 30V-HB B 0.99 ambi=1 { CB:34.1 } ::sumAvg: 3.975 atom: 382 30V-HB B 0.99 ambi=1 { CB:34.1 } atom: 262 21P-HG2 G 0.3 ambi=2 { CG:25.5 } ::sumAvg: 3.975 atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } atom: 271 22W-H N 8.34 ambi=1 { N:118.7 } :: atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } atom: 271 22W-H N 8.34 ambi=1 { N:118.7 } ::sumAvg: 2.875 atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } ::sumAvg: 4.635 atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } ::sumAvg: 4.635 atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } :: atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } ::sumAvg: 4.62 atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } :: atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } ::sumAvg: 4.765 atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } :: atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } ::sumAvg: 4.82 atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } :: atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } ::sumAvg: 4.82 atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } :: atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } ::sumAvg: 4.19 atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } atom: 382 30V-HB B 0.99 ambi=1 { CB:34.1 } :: atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } atom: 382 30V-HB B 0.99 ambi=1 { CB:34.1 } ::sumAvg: 2.92 atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 264 21P-HD2 D 3.07 ambi=2 { CD:49.5 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } :: atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 265 21P-HD3 D 2.93 ambi=2 { CD:49.5 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 2.355 atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } atom: 271 22W-H N 8.34 ambi=1 { N:118.7 } :: atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } atom: 271 22W-H N 8.34 ambi=1 { N:118.7 } ::sumAvg: 4.995 atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } atom: 271 22W-H N 8.34 ambi=1 { N:118.7 } :: atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } atom: 271 22W-H N 8.34 ambi=1 { N:118.7 } ::sumAvg: 4.32 atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } atom: 292 23E-HA A 4 ambi=1 { CA:59.1 } ::sumAvg: 4.495 atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } atom: 276 22W-HE1 E1 10.31 ambi=1 { NE1:130.2 } ::sumAvg: 4.94 atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } ::sumAvg: 4.515 atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } atom: 295 23E-HG2 G 2.33 ambi=2 { CG:35.4 } :: atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } atom: 296 23E-HG3 G 2.27 ambi=2 { CG:35.4 } ::sumAvg: 4.625 atom: 295 23E-HG2 G 2.33 ambi=2 { CG:35.4 } atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } :: atom: 296 23E-HG3 G 2.27 ambi=2 { CG:35.4 } atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } ::sumAvg: 4.625 atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } atom: 304 24K-HB2 B 1.43 ambi=2 { CB:32.3 } :: atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } atom: 305 24K-HB3 B 1.24 ambi=2 { CB:32.3 } ::sumAvg: 4.95 atom: 304 24K-HB2 B 1.43 ambi=2 { CB:32.3 } atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } :: atom: 305 24K-HB3 B 1.24 ambi=2 { CB:32.3 } atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } ::sumAvg: 4.95 atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } atom: 319 25F-H N 7.01 ambi=1 { N:115.1 } ::sumAvg: 4.205 atom: 272 22W-HA A 5 ambi=1 { CA:57.1 } atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } ::sumAvg: 4.765 atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } atom: 275 22W-HD1 D1 7.39 ambi=1 { CD1:126.3 } :: atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } atom: 275 22W-HD1 D1 7.39 ambi=1 { CD1:126.3 } ::sumAvg: 2.98 atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } atom: 276 22W-HE1 E1 10.31 ambi=1 { NE1:130.2 } :: atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } atom: 276 22W-HE1 E1 10.31 ambi=1 { NE1:130.2 } ::sumAvg: 4.97 atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } atom: 291 23E-H N 9.03 ambi=1 { N:128.4 } :: atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } atom: 291 23E-H N 9.03 ambi=1 { N:128.4 } ::sumAvg: 3.655 atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } atom: 304 24K-HB2 B 1.43 ambi=2 { CB:32.3 } :: atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } atom: 305 24K-HB3 B 1.24 ambi=2 { CB:32.3 } :: atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } atom: 304 24K-HB2 B 1.43 ambi=2 { CB:32.3 } :: atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } atom: 305 24K-HB3 B 1.24 ambi=2 { CB:32.3 } ::sumAvg: 3.42 atom: 304 24K-HB2 B 1.43 ambi=2 { CB:32.3 } atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } :: atom: 305 24K-HB3 B 1.24 ambi=2 { CB:32.3 } atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } :: atom: 304 24K-HB2 B 1.43 ambi=2 { CB:32.3 } atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } :: atom: 305 24K-HB3 B 1.24 ambi=2 { CB:32.3 } atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } ::sumAvg: 3.42 atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } atom: 306 24K-HG2 G 1.17 ambi=2 { CG:25.1 } :: atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } atom: 307 24K-HG3 G 1 ambi=2 { CG:25.1 } :: atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } atom: 306 24K-HG2 G 1.17 ambi=2 { CG:25.1 } :: atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } atom: 307 24K-HG3 G 1 ambi=2 { CG:25.1 } ::sumAvg: 4.725 atom: 306 24K-HG2 G 1.17 ambi=2 { CG:25.1 } atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } :: atom: 307 24K-HG3 G 1 ambi=2 { CG:25.1 } atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } :: atom: 306 24K-HG2 G 1.17 ambi=2 { CG:25.1 } atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } :: atom: 307 24K-HG3 G 1 ambi=2 { CG:25.1 } atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } ::sumAvg: 4.725 atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } atom: 310 24K-QE E 2.84 ambi=2 { CE:42.2 } :: atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } atom: 310 24K-QE E 2.84 ambi=2 { CE:42.2 } ::sumAvg: 4.965 atom: 310 24K-QE E 2.84 ambi=2 { CE:42.2 } atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } :: atom: 310 24K-QE E 2.84 ambi=2 { CE:42.2 } atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } ::sumAvg: 4.965 atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } :: atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } ::sumAvg: 4.92 atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } :: atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } :: atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } ::sumAvg: 3.89 atom: 273 22W-HB2 B 3.28 ambi=2 { CB:29.4 } atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } :: atom: 274 22W-HB3 B 3.39 ambi=2 { CB:29.4 } atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } ::sumAvg: 4.62 atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } atom: 275 22W-HD1 D1 7.39 ambi=1 { CD1:126.3 } :: atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } atom: 275 22W-HD1 D1 7.39 ambi=1 { CD1:126.3 } ::sumAvg: 4.925 atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } :: atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } ::sumAvg: 3.475 atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } :: atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } atom: 277 22W-HE3 E3 7.85 ambi=1 { CE3:120.9 } ::sumAvg: 4.735 atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 279 22W-HZ3 Z3 6.66 ambi=1 { CZ3:120.9 } :: atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } atom: 279 22W-HZ3 Z3 6.66 ambi=1 { CZ3:120.9 } ::sumAvg: 4.665 atom: 304 24K-HB2 B 1.43 ambi=2 { CB:32.3 } atom: 291 23E-H N 9.03 ambi=1 { N:128.4 } :: atom: 305 24K-HB3 B 1.24 ambi=2 { CB:32.3 } atom: 291 23E-H N 9.03 ambi=1 { N:128.4 } ::sumAvg: 4.76 atom: 295 23E-HG2 G 2.33 ambi=2 { CG:35.4 } atom: 303 24K-HA A 3.89 ambi=1 { CA:57.1 } :: atom: 296 23E-HG3 G 2.27 ambi=2 { CG:35.4 } atom: 303 24K-HA A 3.89 ambi=1 { CA:57.1 } ::sumAvg: 3.435 atom: 304 24K-HB2 B 1.43 ambi=2 { CB:32.3 } atom: 295 23E-HG2 G 2.33 ambi=2 { CG:35.4 } :: atom: 305 24K-HB3 B 1.24 ambi=2 { CB:32.3 } atom: 295 23E-HG2 G 2.33 ambi=2 { CG:35.4 } :: atom: 304 24K-HB2 B 1.43 ambi=2 { CB:32.3 } atom: 296 23E-HG3 G 2.27 ambi=2 { CG:35.4 } :: atom: 305 24K-HB3 B 1.24 ambi=2 { CB:32.3 } atom: 296 23E-HG3 G 2.27 ambi=2 { CG:35.4 } ::sumAvg: 4.505 atom: 308 24K-QD D 1.47 ambi=2 { CD:25.3 } atom: 295 23E-HG2 G 2.33 ambi=2 { CG:35.4 } :: atom: 308 24K-QD D 1.47 ambi=2 { CD:25.3 } atom: 296 23E-HG3 G 2.27 ambi=2 { CG:35.4 } ::sumAvg: 3.955 atom: 310 24K-QE E 2.84 ambi=2 { CE:42.2 } atom: 295 23E-HG2 G 2.33 ambi=2 { CG:35.4 } :: atom: 310 24K-QE E 2.84 ambi=2 { CE:42.2 } atom: 296 23E-HG3 G 2.27 ambi=2 { CG:35.4 } ::sumAvg: 4.635 atom: 295 23E-HG2 G 2.33 ambi=2 { CG:35.4 } atom: 319 25F-H N 7.01 ambi=1 { N:115.1 } :: atom: 296 23E-HG3 G 2.27 ambi=2 { CG:35.4 } atom: 319 25F-H N 7.01 ambi=1 { N:115.1 } ::sumAvg: 4.865 atom: 427 33H-HA A 4.71 ambi=1 { CA:56.5 } atom: 436 34S-QB B 4.07 ambi=2 { CB:63.2 } ::sumAvg: 4.32 atom: 436 34S-QB B 4.07 ambi=2 { CB:63.2 } atom: 427 33H-HA A 4.71 ambi=1 { CA:56.5 } ::sumAvg: 4.32 atom: 427 33H-HA A 4.71 ambi=1 { CA:56.5 } atom: 442 35D-H N 8.66 ambi=1 { N:118.2 } ::sumAvg: 3.81 atom: 427 33H-HA A 4.71 ambi=1 { CA:56.5 } atom: 450 36N-H N 7.9 ambi=1 { N:116.2 } ::sumAvg: 4.755 atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } atom: 435 34S-HA A 4.39 ambi=1 { CA:60.4 } :: atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } atom: 435 34S-HA A 4.39 ambi=1 { CA:60.4 } ::sumAvg: 4.97 atom: 435 34S-HA A 4.39 ambi=1 { CA:60.4 } atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } :: atom: 435 34S-HA A 4.39 ambi=1 { CA:60.4 } atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } ::sumAvg: 4.97 atom: 463 37D-HA A 4.67 ambi=1 { CA:55.8 } atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } :: atom: 463 37D-HA A 4.67 ambi=1 { CA:55.8 } atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } ::sumAvg: 4.32 atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } atom: 442 35D-H N 8.66 ambi=1 { N:118.2 } :: atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } atom: 442 35D-H N 8.66 ambi=1 { N:118.2 } ::sumAvg: 3.2 atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } atom: 444 35D-QB B 2.78 ambi=2 { CB:39.7 } :: atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } atom: 444 35D-QB B 2.78 ambi=2 { CB:39.7 } ::sumAvg: 3.96 atom: 444 35D-QB B 2.78 ambi=2 { CB:39.7 } atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } :: atom: 444 35D-QB B 2.78 ambi=2 { CB:39.7 } atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } ::sumAvg: 3.96 atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } atom: 453 36N-HB3 B 2.57 ambi=2 { CB:38.9 } :: atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } atom: 452 36N-HB2 B 3.14 ambi=2 { CB:38.9 } :: atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } atom: 453 36N-HB3 B 2.57 ambi=2 { CB:38.9 } ::sumAvg: 3.88 atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } :: atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } ::sumAvg: 4.145 atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } atom: 490 39W-HD1 D1 7.15 ambi=1 { CD1:124.7 } :: atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } atom: 490 39W-HD1 D1 7.15 ambi=1 { CD1:124.7 } ::sumAvg: 3.865 atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } atom: 491 39W-HE1 E1 9.92 ambi=1 { NE1:128 } :: atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } atom: 491 39W-HE1 E1 9.92 ambi=1 { NE1:128 } ::sumAvg: 4.515 atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } :: atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } ::sumAvg: 4.48 atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } :: atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } ::sumAvg: 4.48 atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } :: atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } :: atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } :: atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } ::sumAvg: 4.195 atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } :: atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } :: atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } :: atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } ::sumAvg: 4.195 atom: 308 24K-QD D 1.47 ambi=2 { CD:25.3 } atom: 302 24K-H N 8.5 ambi=1 { N:115.1 } ::sumAvg: 4.095 atom: 310 24K-QE E 2.84 ambi=2 { CE:42.2 } atom: 302 24K-H N 8.5 ambi=1 { N:115.1 } ::sumAvg: 4.17 atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } atom: 302 24K-H N 8.5 ambi=1 { N:115.1 } :: atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } atom: 302 24K-H N 8.5 ambi=1 { N:115.1 } ::sumAvg: 4.755 atom: 342 26P-HD2 D 3.26 ambi=2 { CD:50 } atom: 302 24K-H N 8.5 ambi=1 { N:115.1 } :: atom: 343 26P-HD3 D 3.52 ambi=2 { CD:50 } atom: 302 24K-H N 8.5 ambi=1 { N:115.1 } ::sumAvg: 4.465 atom: 308 24K-QD D 1.47 ambi=2 { CD:25.3 } atom: 303 24K-HA A 3.89 ambi=1 { CA:57.1 } ::sumAvg: 3.055 atom: 303 24K-HA A 3.89 ambi=1 { CA:57.1 } atom: 310 24K-QE E 2.84 ambi=2 { CE:42.2 } ::sumAvg: 3.84 atom: 310 24K-QE E 2.84 ambi=2 { CE:42.2 } atom: 303 24K-HA A 3.89 ambi=1 { CA:57.1 } ::sumAvg: 3.84 atom: 303 24K-HA A 3.89 ambi=1 { CA:57.1 } atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } ::sumAvg: 4.55 atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 303 24K-HA A 3.89 ambi=1 { CA:57.1 } ::sumAvg: 4.55 atom: 304 24K-HB2 B 1.43 ambi=2 { CB:32.3 } atom: 310 24K-QE E 2.84 ambi=2 { CE:42.2 } :: atom: 305 24K-HB3 B 1.24 ambi=2 { CB:32.3 } atom: 310 24K-QE E 2.84 ambi=2 { CE:42.2 } ::sumAvg: 3.005 atom: 310 24K-QE E 2.84 ambi=2 { CE:42.2 } atom: 304 24K-HB2 B 1.43 ambi=2 { CB:32.3 } :: atom: 310 24K-QE E 2.84 ambi=2 { CE:42.2 } atom: 305 24K-HB3 B 1.24 ambi=2 { CB:32.3 } ::sumAvg: 3.005 atom: 304 24K-HB2 B 1.43 ambi=2 { CB:32.3 } atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } :: atom: 305 24K-HB3 B 1.24 ambi=2 { CB:32.3 } atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } ::sumAvg: 4.735 atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 304 24K-HB2 B 1.43 ambi=2 { CB:32.3 } :: atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 305 24K-HB3 B 1.24 ambi=2 { CB:32.3 } ::sumAvg: 4.735 atom: 304 24K-HB2 B 1.43 ambi=2 { CB:32.3 } atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } :: atom: 305 24K-HB3 B 1.24 ambi=2 { CB:32.3 } atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } :: atom: 305 24K-HB3 B 1.24 ambi=2 { CB:32.3 } atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } ::sumAvg: 4.595 atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } atom: 304 24K-HB2 B 1.43 ambi=2 { CB:32.3 } :: atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } atom: 305 24K-HB3 B 1.24 ambi=2 { CB:32.3 } :: atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } atom: 305 24K-HB3 B 1.24 ambi=2 { CB:32.3 } ::sumAvg: 4.595 atom: 308 24K-QD D 1.47 ambi=2 { CD:25.3 } atom: 307 24K-HG3 G 1 ambi=2 { CG:25.1 } ::sumAvg: 2.26 atom: 306 24K-HG2 G 1.17 ambi=2 { CG:25.1 } atom: 319 25F-H N 7.01 ambi=1 { N:115.1 } :: atom: 307 24K-HG3 G 1 ambi=2 { CG:25.1 } atom: 319 25F-H N 7.01 ambi=1 { N:115.1 } ::sumAvg: 4.595 atom: 308 24K-QD D 1.47 ambi=2 { CD:25.3 } atom: 310 24K-QE E 2.84 ambi=2 { CE:42.2 } ::sumAvg: 2.095 atom: 308 24K-QD D 1.47 ambi=2 { CD:25.3 } atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } ::sumAvg: 4.87 atom: 308 24K-QD D 1.47 ambi=2 { CD:25.3 } atom: 325 25F-QE E 7.06 ambi=3 { CE1:130.4 } ::sumAvg: 4.25 atom: 310 24K-QE E 2.84 ambi=2 { CE:42.2 } atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } ::sumAvg: 4.73 atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 319 25F-H N 7.01 ambi=1 { N:115.1 } ::sumAvg: 2.985 atom: 337 26P-HA A 4.38 ambi=1 { CA:64.9 } atom: 319 25F-H N 7.01 ambi=1 { N:115.1 } ::sumAvg: 4.45 atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } :: atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } ::sumAvg: 2.41 atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } ::sumAvg: 2.7 atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 325 25F-QE E 7.06 ambi=3 { CE1:130.4 } ::sumAvg: 4.585 atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 340 26P-HG2 G 1.95 ambi=2 { CG:26.8 } :: atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 341 26P-HG3 G 1.87 ambi=2 { CG:26.8 } ::sumAvg: 4.445 atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 342 26P-HD2 D 3.26 ambi=2 { CD:50 } :: atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 343 26P-HD3 D 3.52 ambi=2 { CD:50 } ::sumAvg: 2.34 atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 349 27D-H N 8.86 ambi=1 { N:114.4 } ::sumAvg: 3.155 atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } :: atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } ::sumAvg: 4.675 atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } :: atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } ::sumAvg: 4.675 atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 357 28Y-H N 8.3 ambi=1 { N:123.7 } ::sumAvg: 4.245 atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } :: atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } ::sumAvg: 4.93 atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } :: atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } ::sumAvg: 4.93 atom: 320 25F-HA A 4.74 ambi=1 { CA:54.3 } atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } ::sumAvg: 4.545 atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } atom: 342 26P-HD2 D 3.26 ambi=2 { CD:50 } :: atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } atom: 343 26P-HD3 D 3.52 ambi=2 { CD:50 } :: atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } atom: 342 26P-HD2 D 3.26 ambi=2 { CD:50 } :: atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } atom: 343 26P-HD3 D 3.52 ambi=2 { CD:50 } ::sumAvg: 4.52 atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } atom: 349 27D-H N 8.86 ambi=1 { N:114.4 } :: atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } atom: 349 27D-H N 8.86 ambi=1 { N:114.4 } ::sumAvg: 3.755 atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } :: atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } :: atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } :: atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } ::sumAvg: 4.71 atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } :: atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } :: atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } :: atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } ::sumAvg: 4.71 atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } atom: 357 28Y-H N 8.3 ambi=1 { N:123.7 } :: atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } atom: 357 28Y-H N 8.3 ambi=1 { N:123.7 } ::sumAvg: 3.33 atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } :: atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } :: atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } :: atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } ::sumAvg: 2.92 atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } :: atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } :: atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } :: atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } ::sumAvg: 2.92 atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } :: atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } ::sumAvg: 2.63 atom: 321 25F-HB2 B 2.21 ambi=2 { CB:39.2 } atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } :: atom: 322 25F-HB3 B 1.79 ambi=2 { CB:39.2 } atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } ::sumAvg: 3.275 atom: 342 26P-HD2 D 3.26 ambi=2 { CD:50 } atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } :: atom: 343 26P-HD3 D 3.52 ambi=2 { CD:50 } atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } ::sumAvg: 4.575 atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } :: atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } atom: 323 25F-QD D 6.61 ambi=3 { CD1:132.1 } ::sumAvg: 4.715 atom: 350 27D-HA A 4.81 ambi=1 { CA:53.9 } atom: 337 26P-HA A 4.38 ambi=1 { CA:64.9 } ::sumAvg: 4.735 atom: 338 26P-HB2 B 2.25 ambi=2 { CB:32.2 } atom: 349 27D-H N 8.86 ambi=1 { N:114.4 } :: atom: 339 26P-HB3 B 1.88 ambi=2 { CB:32.2 } atom: 349 27D-H N 8.86 ambi=1 { N:114.4 } ::sumAvg: 3.485 atom: 338 26P-HB2 B 2.25 ambi=2 { CB:32.2 } atom: 350 27D-HA A 4.81 ambi=1 { CA:53.9 } :: atom: 339 26P-HB3 B 1.88 ambi=2 { CB:32.2 } atom: 350 27D-HA A 4.81 ambi=1 { CA:53.9 } ::sumAvg: 4.18 atom: 350 27D-HA A 4.81 ambi=1 { CA:53.9 } atom: 338 26P-HB2 B 2.25 ambi=2 { CB:32.2 } :: atom: 350 27D-HA A 4.81 ambi=1 { CA:53.9 } atom: 339 26P-HB3 B 1.88 ambi=2 { CB:32.2 } ::sumAvg: 4.18 atom: 342 26P-HD2 D 3.26 ambi=2 { CD:50 } atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } :: atom: 343 26P-HD3 D 3.52 ambi=2 { CD:50 } atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } :: atom: 343 26P-HD3 D 3.52 ambi=2 { CD:50 } atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } ::sumAvg: 4.755 atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } atom: 342 26P-HD2 D 3.26 ambi=2 { CD:50 } :: atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } atom: 343 26P-HD3 D 3.52 ambi=2 { CD:50 } :: atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } atom: 343 26P-HD3 D 3.52 ambi=2 { CD:50 } ::sumAvg: 4.755 atom: 342 26P-HD2 D 3.26 ambi=2 { CD:50 } atom: 357 28Y-H N 8.3 ambi=1 { N:123.7 } :: atom: 343 26P-HD3 D 3.52 ambi=2 { CD:50 } atom: 357 28Y-H N 8.3 ambi=1 { N:123.7 } ::sumAvg: 4.96 atom: 350 27D-HA A 4.81 ambi=1 { CA:53.9 } atom: 349 27D-H N 8.86 ambi=1 { N:114.4 } ::sumAvg: 2.925 atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 349 27D-H N 8.86 ambi=1 { N:114.4 } :: atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } atom: 349 27D-H N 8.86 ambi=1 { N:114.4 } ::sumAvg: 4.63 atom: 350 27D-HA A 4.81 ambi=1 { CA:53.9 } atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } :: atom: 350 27D-HA A 4.81 ambi=1 { CA:53.9 } atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } ::sumAvg: 2.43 atom: 350 27D-HA A 4.81 ambi=1 { CA:53.9 } atom: 357 28Y-H N 8.3 ambi=1 { N:123.7 } ::sumAvg: 3.37 atom: 350 27D-HA A 4.81 ambi=1 { CA:53.9 } atom: 358 28Y-HA A 5.5 ambi=1 { CA:55.6 } ::sumAvg: 4.675 atom: 358 28Y-HA A 5.5 ambi=1 { CA:55.6 } atom: 350 27D-HA A 4.81 ambi=1 { CA:53.9 } ::sumAvg: 4.675 atom: 350 27D-HA A 4.81 ambi=1 { CA:53.9 } atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } ::sumAvg: 4.535 atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } atom: 357 28Y-H N 8.3 ambi=1 { N:123.7 } :: atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } atom: 357 28Y-H N 8.3 ambi=1 { N:123.7 } ::sumAvg: 3.65 atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } atom: 358 28Y-HA A 5.5 ambi=1 { CA:55.6 } :: atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } atom: 358 28Y-HA A 5.5 ambi=1 { CA:55.6 } ::sumAvg: 4.695 atom: 358 28Y-HA A 5.5 ambi=1 { CA:55.6 } atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } :: atom: 358 28Y-HA A 5.5 ambi=1 { CA:55.6 } atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } ::sumAvg: 4.695 atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } :: atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } ::sumAvg: 4.225 atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } :: atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } ::sumAvg: 4.84 atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } :: atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } ::sumAvg: 4.91 atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } atom: 351 27D-HB2 B 2.88 ambi=2 { CB:39.9 } :: atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } atom: 352 27D-HB3 B 2.81 ambi=2 { CB:39.9 } ::sumAvg: 4.91 atom: 358 28Y-HA A 5.5 ambi=1 { CA:55.6 } atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } ::sumAvg: 4.44 atom: 358 28Y-HA A 5.5 ambi=1 { CA:55.6 } atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } ::sumAvg: 4.45 atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } atom: 358 28Y-HA A 5.5 ambi=1 { CA:55.6 } ::sumAvg: 4.45 atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } atom: 358 28Y-HA A 5.5 ambi=1 { CA:55.6 } ::sumAvg: 3.885 atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } atom: 358 28Y-HA A 5.5 ambi=1 { CA:55.6 } :: atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } atom: 358 28Y-HA A 5.5 ambi=1 { CA:55.6 } ::sumAvg: 3.83 atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } atom: 358 28Y-HA A 5.5 ambi=1 { CA:55.6 } :: atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } atom: 358 28Y-HA A 5.5 ambi=1 { CA:55.6 } ::sumAvg: 3.475 atom: 358 28Y-HA A 5.5 ambi=1 { CA:55.6 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } ::sumAvg: 4.595 atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } atom: 358 28Y-HA A 5.5 ambi=1 { CA:55.6 } ::sumAvg: 4.595 atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } :: atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } ::sumAvg: 4.455 atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } :: atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } ::sumAvg: 2.995 atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } :: atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } ::sumAvg: 4.6 atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } :: atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } ::sumAvg: 4.6 atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } :: atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } ::sumAvg: 4.815 atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } :: atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } ::sumAvg: 4.815 atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } :: atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 4.14 atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } :: atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } :: atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } :: atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } ::sumAvg: 4.14 atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } :: atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } ::sumAvg: 3.82 atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } :: atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } :: atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } :: atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } ::sumAvg: 3.41 atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } :: atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } :: atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } :: atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } ::sumAvg: 3.41 atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } :: atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } ::sumAvg: 4.115 atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } atom: 359 28Y-HB2 B 3.93 ambi=2 { CB:36.4 } :: atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } atom: 360 28Y-HB3 B 2.98 ambi=2 { CB:36.4 } ::sumAvg: 4.115 atom: 525 42L-HD1 D1 0.88 ambi=2 { CD1:26.7 } atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } :: atom: 526 42L-HD2 D2 0.74 ambi=2 { CD2:23.6 } atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } ::sumAvg: 4.52 atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } :: atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } ::sumAvg: 4.725 atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } :: atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } ::sumAvg: 3.22 atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } ::sumAvg: 4.09 atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } :: atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } atom: 361 28Y-QD D 6.76 ambi=3 { CD1:130.2 } ::sumAvg: 4.725 atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } ::sumAvg: 4.39 atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } :: atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } ::sumAvg: 3.32 atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } ::sumAvg: 4.49 atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } :: atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } ::sumAvg: 3.65 atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } ::sumAvg: 4.75 atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } atom: 363 28Y-QE E 6.33 ambi=3 { CE1:118.2 } ::sumAvg: 3.66 atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } ::sumAvg: 4.875 atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } :: atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } ::sumAvg: 4.34 atom: 521 42L-HA A 5.2 ambi=1 { CA:54.1 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } ::sumAvg: 4.895 atom: 525 42L-HD1 D1 0.88 ambi=2 { CD1:26.7 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } :: atom: 526 42L-HD2 D2 0.74 ambi=2 { CD2:23.6 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } ::sumAvg: 4.145 atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } ::sumAvg: 4.85 atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } :: atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } ::sumAvg: 3.39 atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } :: atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } ::sumAvg: 3.54 atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } ::sumAvg: 3.565 atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } :: atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } ::sumAvg: 4.225 atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } atom: 373 29A-H N 9.24 ambi=1 { N:126 } ::sumAvg: 4.55 atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } ::sumAvg: 4.485 atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } ::sumAvg: 4.485 atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } atom: 382 30V-HB B 0.99 ambi=1 { CB:34.1 } ::sumAvg: 4.71 atom: 382 30V-HB B 0.99 ambi=1 { CB:34.1 } atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } ::sumAvg: 4.71 atom: 374 29A-HA A 5.03 ambi=1 { CA:49.7 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } ::sumAvg: 4.835 atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } ::sumAvg: 4.085 atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } ::sumAvg: 4.085 atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 4.36 atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } :: atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } ::sumAvg: 4.36 atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } ::sumAvg: 4.99 atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } ::sumAvg: 3.035 atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } atom: 521 42L-HA A 5.2 ambi=1 { CA:54.1 } ::sumAvg: 4.635 atom: 521 42L-HA A 5.2 ambi=1 { CA:54.1 } atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } ::sumAvg: 4.635 atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } ::sumAvg: 4.765 atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } ::sumAvg: 4.845 atom: 375 29A-HB B 1.1 ambi=1 { CB:22.8 } atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } ::sumAvg: 4.87 atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } atom: 380 30V-H N 8.53 ambi=1 { N:119.7 } ::sumAvg: 4.965 atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } atom: 382 30V-HB B 0.99 ambi=1 { CB:34.1 } ::sumAvg: 3.015 atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 2.32 atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } atom: 393 31F-HB2 B 2.31 ambi=2 { CB:38.5 } :: atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } atom: 394 31F-HB3 B 2.28 ambi=2 { CB:38.5 } ::sumAvg: 4.605 atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } ::sumAvg: 3.325 atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } ::sumAvg: 4.505 atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } ::sumAvg: 4.875 atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } ::sumAvg: 4.815 atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } atom: 522 42L-HB2 B 1.64 ambi=2 { CB:45.9 } :: atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } atom: 523 42L-HB3 B 1.36 ambi=2 { CB:45.9 } ::sumAvg: 3.925 atom: 522 42L-HB2 B 1.64 ambi=2 { CB:45.9 } atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } :: atom: 523 42L-HB3 B 1.36 ambi=2 { CB:45.9 } atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } ::sumAvg: 3.925 atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } atom: 525 42L-HD1 D1 0.88 ambi=2 { CD1:26.7 } :: atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } atom: 526 42L-HD2 D2 0.74 ambi=2 { CD2:23.6 } ::sumAvg: 3.52 atom: 381 30V-HA A 4.25 ambi=1 { CA:60.3 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } ::sumAvg: 3.475 atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } atom: 382 30V-HB B 0.99 ambi=1 { CB:34.1 } ::sumAvg: 4.83 atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 3.695 atom: 393 31F-HB2 B 2.31 ambi=2 { CB:38.5 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 394 31F-HB3 B 2.28 ambi=2 { CB:38.5 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 393 31F-HB2 B 2.31 ambi=2 { CB:38.5 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } :: atom: 394 31F-HB3 B 2.28 ambi=2 { CB:38.5 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 4.43 atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } :: atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } ::sumAvg: 4.12 atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } :: atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } ::sumAvg: 4.595 atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 4.595 atom: 411 32R-HB2 B 1.64 ambi=2 { CB:34.2 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 412 32R-HB3 B 1.57 ambi=2 { CB:34.2 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 411 32R-HB2 B 1.64 ambi=2 { CB:34.2 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } :: atom: 412 32R-HB3 B 1.57 ambi=2 { CB:34.2 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 3.535 atom: 413 32R-HG2 G 1.63 ambi=2 { CG:27.9 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 414 32R-HG3 G 1.25 ambi=2 { CG:27.9 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 413 32R-HG2 G 1.63 ambi=2 { CG:27.9 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } :: atom: 414 32R-HG3 G 1.25 ambi=2 { CG:27.9 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 3.77 atom: 415 32R-HD2 D 3.1 ambi=2 { CD:43.1 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 416 32R-HD3 D 3.06 ambi=2 { CD:43.1 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 415 32R-HD2 D 3.1 ambi=2 { CD:43.1 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } :: atom: 416 32R-HD3 D 3.06 ambi=2 { CD:43.1 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 3.895 atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } atom: 417 32R-HE E 7.51 ambi=1 { NE:84.4 } :: atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } atom: 417 32R-HE E 7.51 ambi=1 { NE:84.4 } ::sumAvg: 4.8 atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } atom: 506 40Y-HA A 5.28 ambi=1 { CA:55.7 } :: atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } atom: 506 40Y-HA A 5.28 ambi=1 { CA:55.7 } ::sumAvg: 4.005 atom: 506 40Y-HA A 5.28 ambi=1 { CA:55.7 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 506 40Y-HA A 5.28 ambi=1 { CA:55.7 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 4.005 atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 4.48 atom: 521 42L-HA A 5.2 ambi=1 { CA:54.1 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 521 42L-HA A 5.2 ambi=1 { CA:54.1 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 3.445 atom: 522 42L-HB2 B 1.64 ambi=2 { CB:45.9 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 523 42L-HB3 B 1.36 ambi=2 { CB:45.9 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 522 42L-HB2 B 1.64 ambi=2 { CB:45.9 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } :: atom: 523 42L-HB3 B 1.36 ambi=2 { CB:45.9 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 3.415 atom: 524 42L-HG G 1.32 ambi=1 { CG:28.3 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 524 42L-HG G 1.32 ambi=1 { CG:28.3 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 4.35 atom: 525 42L-HD1 D1 0.88 ambi=2 { CD1:26.7 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 526 42L-HD2 D2 0.74 ambi=2 { CD2:23.6 } atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } :: atom: 525 42L-HD1 D1 0.88 ambi=2 { CD1:26.7 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } :: atom: 526 42L-HD2 D2 0.74 ambi=2 { CD2:23.6 } atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } ::sumAvg: 2.72 atom: 383 30V-HG1 G1 -0.45 ambi=2 { CG1:20.1 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } :: atom: 384 30V-HG2 G2 -0.17 ambi=2 { CG2:21.2 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } ::sumAvg: 4.225 atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } ::sumAvg: 3 atom: 514 41A-HA A 5.58 ambi=1 { CA:52.9 } atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } ::sumAvg: 4.96 atom: 522 42L-HB2 B 1.64 ambi=2 { CB:45.9 } atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } :: atom: 523 42L-HB3 B 1.36 ambi=2 { CB:45.9 } atom: 391 31F-H N 8.04 ambi=1 { N:124.1 } ::sumAvg: 4.845 atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } ::sumAvg: 4.595 atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } ::sumAvg: 4.425 atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } ::sumAvg: 4.425 atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } atom: 411 32R-HB2 B 1.64 ambi=2 { CB:34.2 } :: atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } atom: 412 32R-HB3 B 1.57 ambi=2 { CB:34.2 } ::sumAvg: 4.625 atom: 411 32R-HB2 B 1.64 ambi=2 { CB:34.2 } atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } :: atom: 412 32R-HB3 B 1.57 ambi=2 { CB:34.2 } atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } ::sumAvg: 4.625 atom: 392 31F-HA A 4.25 ambi=1 { CA:56.7 } atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } ::sumAvg: 4.79 atom: 393 31F-HB2 B 2.31 ambi=2 { CB:38.5 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } :: atom: 394 31F-HB3 B 2.28 ambi=2 { CB:38.5 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } ::sumAvg: 4.41 atom: 393 31F-HB2 B 2.31 ambi=2 { CB:38.5 } atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } :: atom: 394 31F-HB3 B 2.28 ambi=2 { CB:38.5 } atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } ::sumAvg: 3.39 atom: 393 31F-HB2 B 2.31 ambi=2 { CB:38.5 } atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } :: atom: 394 31F-HB3 B 2.28 ambi=2 { CB:38.5 } atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } ::sumAvg: 4.49 atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } atom: 393 31F-HB2 B 2.31 ambi=2 { CB:38.5 } :: atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } atom: 394 31F-HB3 B 2.28 ambi=2 { CB:38.5 } ::sumAvg: 4.49 atom: 393 31F-HB2 B 2.31 ambi=2 { CB:38.5 } atom: 514 41A-HA A 5.58 ambi=1 { CA:52.9 } :: atom: 394 31F-HB3 B 2.28 ambi=2 { CB:38.5 } atom: 514 41A-HA A 5.58 ambi=1 { CA:52.9 } ::sumAvg: 4.84 atom: 514 41A-HA A 5.58 ambi=1 { CA:52.9 } atom: 393 31F-HB2 B 2.31 ambi=2 { CB:38.5 } :: atom: 514 41A-HA A 5.58 ambi=1 { CA:52.9 } atom: 394 31F-HB3 B 2.28 ambi=2 { CB:38.5 } ::sumAvg: 4.84 atom: 393 31F-HB2 B 2.31 ambi=2 { CB:38.5 } atom: 521 42L-HA A 5.2 ambi=1 { CA:54.1 } :: atom: 394 31F-HB3 B 2.28 ambi=2 { CB:38.5 } atom: 521 42L-HA A 5.2 ambi=1 { CA:54.1 } ::sumAvg: 4.805 atom: 521 42L-HA A 5.2 ambi=1 { CA:54.1 } atom: 393 31F-HB2 B 2.31 ambi=2 { CB:38.5 } :: atom: 521 42L-HA A 5.2 ambi=1 { CA:54.1 } atom: 394 31F-HB3 B 2.28 ambi=2 { CB:38.5 } ::sumAvg: 4.805 atom: 521 42L-HA A 5.2 ambi=1 { CA:54.1 } atom: 395 31F-QD D 6.9 ambi=3 { CD1:131.9 } ::sumAvg: 3.14 atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } ::sumAvg: 4.695 atom: 521 42L-HA A 5.2 ambi=1 { CA:54.1 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } ::sumAvg: 4.105 atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } ::sumAvg: 4.73 atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } atom: 397 31F-QE E 7.24 ambi=3 { CE1:131 } ::sumAvg: 4.585 atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } :: atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } atom: 399 31F-HZ Z 7.07 ambi=1 { CZ:128.4 } ::sumAvg: 4.14 atom: 427 33H-HA A 4.71 ambi=1 { CA:56.5 } atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } ::sumAvg: 4.745 atom: 413 32R-HG2 G 1.63 ambi=2 { CG:27.9 } atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } :: atom: 414 32R-HG3 G 1.25 ambi=2 { CG:27.9 } atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } ::sumAvg: 3.58 atom: 415 32R-HD2 D 3.1 ambi=2 { CD:43.1 } atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } :: atom: 416 32R-HD3 D 3.06 ambi=2 { CD:43.1 } atom: 409 32R-H N 8.72 ambi=1 { N:122.3 } ::sumAvg: 4.89 atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } atom: 427 33H-HA A 4.71 ambi=1 { CA:56.5 } ::sumAvg: 4.42 atom: 427 33H-HA A 4.71 ambi=1 { CA:56.5 } atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } ::sumAvg: 4.42 atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } :: atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } ::sumAvg: 4.655 atom: 428 33H-HB2 B 3.42 ambi=2 { CB:28.9 } atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } :: atom: 429 33H-HB3 B 3.94 ambi=2 { CB:28.9 } atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } ::sumAvg: 4.655 atom: 413 32R-HG2 G 1.63 ambi=2 { CG:27.9 } atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } :: atom: 414 32R-HG3 G 1.25 ambi=2 { CG:27.9 } atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } ::sumAvg: 3.065 atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } atom: 415 32R-HD2 D 3.1 ambi=2 { CD:43.1 } :: atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } atom: 416 32R-HD3 D 3.06 ambi=2 { CD:43.1 } ::sumAvg: 3.475 atom: 415 32R-HD2 D 3.1 ambi=2 { CD:43.1 } atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } :: atom: 416 32R-HD3 D 3.06 ambi=2 { CD:43.1 } atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } ::sumAvg: 3.475 atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } atom: 417 32R-HE E 7.51 ambi=1 { NE:84.4 } ::sumAvg: 4.735 atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } :: atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } ::sumAvg: 4.07 atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } :: atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } ::sumAvg: 4.07 atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } atom: 490 39W-HD1 D1 7.15 ambi=1 { CD1:124.7 } ::sumAvg: 3.485 atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } atom: 491 39W-HE1 E1 9.92 ambi=1 { NE1:128 } ::sumAvg: 4.81 atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } ::sumAvg: 4.38 atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } ::sumAvg: 4.515 atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } atom: 410 32R-HA A 5.32 ambi=1 { CA:53.4 } ::sumAvg: 4.515 atom: 411 32R-HB2 B 1.64 ambi=2 { CB:34.2 } atom: 427 33H-HA A 4.71 ambi=1 { CA:56.5 } :: atom: 412 32R-HB3 B 1.57 ambi=2 { CB:34.2 } atom: 427 33H-HA A 4.71 ambi=1 { CA:56.5 } ::sumAvg: 4.865 atom: 427 33H-HA A 4.71 ambi=1 { CA:56.5 } atom: 411 32R-HB2 B 1.64 ambi=2 { CB:34.2 } :: atom: 427 33H-HA A 4.71 ambi=1 { CA:56.5 } atom: 412 32R-HB3 B 1.57 ambi=2 { CB:34.2 } ::sumAvg: 4.865 atom: 411 32R-HB2 B 1.64 ambi=2 { CB:34.2 } atom: 417 32R-HE E 7.51 ambi=1 { NE:84.4 } :: atom: 412 32R-HB3 B 1.57 ambi=2 { CB:34.2 } atom: 417 32R-HE E 7.51 ambi=1 { NE:84.4 } ::sumAvg: 3.6 atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } atom: 411 32R-HB2 B 1.64 ambi=2 { CB:34.2 } :: atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } atom: 411 32R-HB2 B 1.64 ambi=2 { CB:34.2 } :: atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } atom: 412 32R-HB3 B 1.57 ambi=2 { CB:34.2 } :: atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } atom: 412 32R-HB3 B 1.57 ambi=2 { CB:34.2 } ::sumAvg: 4.88 atom: 411 32R-HB2 B 1.64 ambi=2 { CB:34.2 } atom: 491 39W-HE1 E1 9.92 ambi=1 { NE1:128 } :: atom: 412 32R-HB3 B 1.57 ambi=2 { CB:34.2 } atom: 491 39W-HE1 E1 9.92 ambi=1 { NE1:128 } ::sumAvg: 4.69 atom: 506 40Y-HA A 5.28 ambi=1 { CA:55.7 } atom: 411 32R-HB2 B 1.64 ambi=2 { CB:34.2 } :: atom: 506 40Y-HA A 5.28 ambi=1 { CA:55.7 } atom: 412 32R-HB3 B 1.57 ambi=2 { CB:34.2 } ::sumAvg: 4.645 atom: 411 32R-HB2 B 1.64 ambi=2 { CB:34.2 } atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } :: atom: 412 32R-HB3 B 1.57 ambi=2 { CB:34.2 } atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } ::sumAvg: 4.975 atom: 413 32R-HG2 G 1.63 ambi=2 { CG:27.9 } atom: 426 33H-H N 8.56 ambi=1 { N:119.8 } :: atom: 414 32R-HG3 G 1.25 ambi=2 { CG:27.9 } atom: 426 33H-H N 8.56 ambi=1 { N:119.8 } ::sumAvg: 3.695 atom: 415 32R-HD2 D 3.1 ambi=2 { CD:43.1 } atom: 426 33H-H N 8.56 ambi=1 { N:119.8 } :: atom: 416 32R-HD3 D 3.06 ambi=2 { CD:43.1 } atom: 426 33H-H N 8.56 ambi=1 { N:119.8 } ::sumAvg: 4.845 atom: 463 37D-HA A 4.67 ambi=1 { CA:55.8 } atom: 426 33H-H N 8.56 ambi=1 { N:119.8 } ::sumAvg: 4.86 atom: 471 38K-HA A 4.39 ambi=1 { CA:56.7 } atom: 426 33H-H N 8.56 ambi=1 { N:119.8 } ::sumAvg: 4.78 atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } atom: 426 33H-H N 8.56 ambi=1 { N:119.8 } :: atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } atom: 426 33H-H N 8.56 ambi=1 { N:119.8 } ::sumAvg: 3.98 atom: 444 35D-QB B 2.78 ambi=2 { CB:39.7 } atom: 434 34S-H N 9.16 ambi=1 { N:118.7 } ::sumAvg: 4.595 atom: 472 38K-QB B 2.13 ambi=2 { CB:32.5 } atom: 463 37D-HA A 4.67 ambi=1 { CA:55.8 } ::sumAvg: 4.83 atom: 474 38K-QG G 1.62 ambi=2 { CG:29.1 } atom: 463 37D-HA A 4.67 ambi=1 { CA:55.8 } ::sumAvg: 4.885 atom: 464 37D-HB2 B 3.02 ambi=2 { CB:40.5 } atom: 470 38K-H N 8.31 ambi=1 { N:119.3 } :: atom: 465 37D-HB3 B 2.78 ambi=2 { CB:40.5 } atom: 470 38K-H N 8.31 ambi=1 { N:119.3 } ::sumAvg: 3.055 atom: 471 38K-HA A 4.39 ambi=1 { CA:56.7 } atom: 464 37D-HB2 B 3.02 ambi=2 { CB:40.5 } :: atom: 471 38K-HA A 4.39 ambi=1 { CA:56.7 } atom: 465 37D-HB3 B 2.78 ambi=2 { CB:40.5 } ::sumAvg: 4.89 atom: 464 37D-HB2 B 3.02 ambi=2 { CB:40.5 } atom: 472 38K-QB B 2.13 ambi=2 { CB:32.5 } :: atom: 465 37D-HB3 B 2.78 ambi=2 { CB:40.5 } atom: 472 38K-QB B 2.13 ambi=2 { CB:32.5 } ::sumAvg: 4.8 atom: 472 38K-QB B 2.13 ambi=2 { CB:32.5 } atom: 464 37D-HB2 B 3.02 ambi=2 { CB:40.5 } :: atom: 472 38K-QB B 2.13 ambi=2 { CB:32.5 } atom: 465 37D-HB3 B 2.78 ambi=2 { CB:40.5 } ::sumAvg: 4.8 atom: 474 38K-QG G 1.62 ambi=2 { CG:29.1 } atom: 464 37D-HB2 B 3.02 ambi=2 { CB:40.5 } :: atom: 474 38K-QG G 1.62 ambi=2 { CG:29.1 } atom: 465 37D-HB3 B 2.78 ambi=2 { CB:40.5 } ::sumAvg: 4.16 atom: 443 35D-HA A 4.57 ambi=1 { CA:54.3 } atom: 436 34S-QB B 4.07 ambi=2 { CB:63.2 } ::sumAvg: 4.265 atom: 444 35D-QB B 2.78 ambi=2 { CB:39.7 } atom: 436 34S-QB B 4.07 ambi=2 { CB:63.2 } ::sumAvg: 4.85 atom: 452 36N-HB2 B 3.14 ambi=2 { CB:38.9 } atom: 442 35D-H N 8.66 ambi=1 { N:118.2 } :: atom: 453 36N-HB3 B 2.57 ambi=2 { CB:38.9 } atom: 442 35D-H N 8.66 ambi=1 { N:118.2 } ::sumAvg: 4.755 atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } atom: 442 35D-H N 8.66 ambi=1 { N:118.2 } :: atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } atom: 442 35D-H N 8.66 ambi=1 { N:118.2 } ::sumAvg: 4.625 atom: 443 35D-HA A 4.57 ambi=1 { CA:54.3 } atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } :: atom: 443 35D-HA A 4.57 ambi=1 { CA:54.3 } atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } ::sumAvg: 4.695 atom: 444 35D-QB B 2.78 ambi=2 { CB:39.7 } atom: 450 36N-H N 7.9 ambi=1 { N:116.2 } ::sumAvg: 2.95 atom: 444 35D-QB B 2.78 ambi=2 { CB:39.7 } atom: 451 36N-HA A 4.66 ambi=1 { CA:52 } ::sumAvg: 4.105 atom: 451 36N-HA A 4.66 ambi=1 { CA:52 } atom: 444 35D-QB B 2.78 ambi=2 { CB:39.7 } ::sumAvg: 4.105 atom: 444 35D-QB B 2.78 ambi=2 { CB:39.7 } atom: 462 37D-H N 7.89 ambi=1 { N:115.3 } ::sumAvg: 4.57 atom: 452 36N-HB2 B 3.14 ambi=2 { CB:38.9 } atom: 450 36N-H N 7.9 ambi=1 { N:116.2 } :: atom: 453 36N-HB3 B 2.57 ambi=2 { CB:38.9 } atom: 450 36N-H N 7.9 ambi=1 { N:116.2 } ::sumAvg: 2.58 atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } atom: 450 36N-H N 7.9 ambi=1 { N:116.2 } :: atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } atom: 450 36N-H N 7.9 ambi=1 { N:116.2 } ::sumAvg: 3.51 atom: 451 36N-HA A 4.66 ambi=1 { CA:52 } atom: 464 37D-HB2 B 3.02 ambi=2 { CB:40.5 } :: atom: 451 36N-HA A 4.66 ambi=1 { CA:52 } atom: 465 37D-HB3 B 2.78 ambi=2 { CB:40.5 } ::sumAvg: 4.62 atom: 451 36N-HA A 4.66 ambi=1 { CA:52 } atom: 454 36N-HD21 D2 7.22 ambi=1 { ND2:109.3 } :: atom: 451 36N-HA A 4.66 ambi=1 { CA:52 } atom: 455 36N-HD22 D2 6.74 ambi=1 { ND2:109.3 } ::sumAvg: 3.25 atom: 451 36N-HA A 4.66 ambi=1 { CA:52 } atom: 1381 118L-HA A 4.1 ambi=1 { CA:55.3 } ::sumAvg: 4.915 atom: 1381 118L-HA A 4.1 ambi=1 { CA:55.3 } atom: 451 36N-HA A 4.66 ambi=1 { CA:52 } ::sumAvg: 4.915 atom: 451 36N-HA A 4.66 ambi=1 { CA:52 } atom: 1382 118L-HB2 B 1.5 ambi=2 { CB:42.4 } :: atom: 451 36N-HA A 4.66 ambi=1 { CA:52 } atom: 1383 118L-HB3 B 1.31 ambi=2 { CB:42.4 } ::sumAvg: 4.93 atom: 1382 118L-HB2 B 1.5 ambi=2 { CB:42.4 } atom: 451 36N-HA A 4.66 ambi=1 { CA:52 } :: atom: 1383 118L-HB3 B 1.31 ambi=2 { CB:42.4 } atom: 451 36N-HA A 4.66 ambi=1 { CA:52 } ::sumAvg: 4.93 atom: 451 36N-HA A 4.66 ambi=1 { CA:52 } atom: 1384 118L-HG G 1.31 ambi=1 { CG:26.8 } ::sumAvg: 4.925 atom: 1384 118L-HG G 1.31 ambi=1 { CG:26.8 } atom: 451 36N-HA A 4.66 ambi=1 { CA:52 } ::sumAvg: 4.925 atom: 451 36N-HA A 4.66 ambi=1 { CA:52 } atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } :: atom: 451 36N-HA A 4.66 ambi=1 { CA:52 } atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } ::sumAvg: 2.87 atom: 452 36N-HB2 B 3.14 ambi=2 { CB:38.9 } atom: 462 37D-H N 7.89 ambi=1 { N:115.3 } :: atom: 453 36N-HB3 B 2.57 ambi=2 { CB:38.9 } atom: 462 37D-H N 7.89 ambi=1 { N:115.3 } ::sumAvg: 3.275 atom: 452 36N-HB2 B 3.14 ambi=2 { CB:38.9 } atom: 472 38K-QB B 2.13 ambi=2 { CB:32.5 } :: atom: 453 36N-HB3 B 2.57 ambi=2 { CB:38.9 } atom: 472 38K-QB B 2.13 ambi=2 { CB:32.5 } ::sumAvg: 4.585 atom: 472 38K-QB B 2.13 ambi=2 { CB:32.5 } atom: 452 36N-HB2 B 3.14 ambi=2 { CB:38.9 } :: atom: 472 38K-QB B 2.13 ambi=2 { CB:32.5 } atom: 453 36N-HB3 B 2.57 ambi=2 { CB:38.9 } ::sumAvg: 4.585 atom: 452 36N-HB2 B 3.14 ambi=2 { CB:38.9 } atom: 474 38K-QG G 1.62 ambi=2 { CG:29.1 } :: atom: 453 36N-HB3 B 2.57 ambi=2 { CB:38.9 } atom: 474 38K-QG G 1.62 ambi=2 { CG:29.1 } ::sumAvg: 4.445 atom: 453 36N-HB3 B 2.57 ambi=2 { CB:38.9 } atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } :: atom: 453 36N-HB3 B 2.57 ambi=2 { CB:38.9 } atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } ::sumAvg: 4.88 atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } atom: 453 36N-HB3 B 2.57 ambi=2 { CB:38.9 } :: atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } atom: 453 36N-HB3 B 2.57 ambi=2 { CB:38.9 } ::sumAvg: 4.88 atom: 452 36N-HB2 B 3.14 ambi=2 { CB:38.9 } atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } :: atom: 453 36N-HB3 B 2.57 ambi=2 { CB:38.9 } atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } ::sumAvg: 4.525 atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } atom: 452 36N-HB2 B 3.14 ambi=2 { CB:38.9 } :: atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } atom: 453 36N-HB3 B 2.57 ambi=2 { CB:38.9 } ::sumAvg: 4.525 atom: 452 36N-HB2 B 3.14 ambi=2 { CB:38.9 } atom: 1380 118L-H N 8.38 ambi=1 { N:122.6 } :: atom: 453 36N-HB3 B 2.57 ambi=2 { CB:38.9 } atom: 1380 118L-H N 8.38 ambi=1 { N:122.6 } ::sumAvg: 4.21 atom: 1384 118L-HG G 1.31 ambi=1 { CG:26.8 } atom: 452 36N-HB2 B 3.14 ambi=2 { CB:38.9 } :: atom: 1384 118L-HG G 1.31 ambi=1 { CG:26.8 } atom: 453 36N-HB3 B 2.57 ambi=2 { CB:38.9 } ::sumAvg: 3.7 atom: 1384 118L-HG G 1.31 ambi=1 { CG:26.8 } atom: 454 36N-HD21 D2 7.22 ambi=1 { ND2:109.3 } :: atom: 1384 118L-HG G 1.31 ambi=1 { CG:26.8 } atom: 455 36N-HD22 D2 6.74 ambi=1 { ND2:109.3 } ::sumAvg: 3.54 atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } atom: 462 37D-H N 7.89 ambi=1 { N:115.3 } :: atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } atom: 462 37D-H N 7.89 ambi=1 { N:115.3 } ::sumAvg: 4.715 atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } atom: 470 38K-H N 8.31 ambi=1 { N:119.3 } :: atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } atom: 470 38K-H N 8.31 ambi=1 { N:119.3 } ::sumAvg: 4.625 atom: 476 38K-QD D 1.82 ambi=2 { CD:30.3 } atom: 471 38K-HA A 4.39 ambi=1 { CA:56.7 } ::sumAvg: 3.03 atom: 471 38K-HA A 4.39 ambi=1 { CA:56.7 } atom: 478 38K-QE E 2.93 ambi=2 { CE:42.1 } ::sumAvg: 4.405 atom: 471 38K-HA A 4.39 ambi=1 { CA:56.7 } atom: 487 39W-HA A 5 ambi=1 { CA:55.7 } ::sumAvg: 4.82 atom: 487 39W-HA A 5 ambi=1 { CA:55.7 } atom: 471 38K-HA A 4.39 ambi=1 { CA:56.7 } ::sumAvg: 4.82 atom: 651 53I-HB B 1.45 ambi=1 { CB:38.7 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } :: atom: 651 53I-HB B 1.45 ambi=1 { CB:38.7 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } ::sumAvg: 4.325 atom: 653 53I-HG13 G1 1.22 ambi=2 { CG1:27.8 } atom: 654 53I-HG2 G2 0.79 ambi=1 { CG2:16.8 } ::sumAvg: 2.365 atom: 652 53I-HG12 G1 0.85 ambi=2 { CG1:27.8 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } :: atom: 653 53I-HG13 G1 1.22 ambi=2 { CG1:27.8 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } ::sumAvg: 4.945 atom: 652 53I-HG12 G1 0.85 ambi=2 { CG1:27.8 } atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } :: atom: 653 53I-HG13 G1 1.22 ambi=2 { CG1:27.8 } atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } ::sumAvg: 3.805 atom: 472 38K-QB B 2.13 ambi=2 { CB:32.5 } atom: 474 38K-QG G 1.62 ambi=2 { CG:29.1 } ::sumAvg: 2.06 atom: 474 38K-QG G 1.62 ambi=2 { CG:29.1 } atom: 472 38K-QB B 2.13 ambi=2 { CB:32.5 } ::sumAvg: 2.06 atom: 472 38K-QB B 2.13 ambi=2 { CB:32.5 } atom: 478 38K-QE E 2.93 ambi=2 { CE:42.1 } ::sumAvg: 3.59 atom: 472 38K-QB B 2.13 ambi=2 { CB:32.5 } atom: 487 39W-HA A 5 ambi=1 { CA:55.7 } ::sumAvg: 4.135 atom: 487 39W-HA A 5 ambi=1 { CA:55.7 } atom: 472 38K-QB B 2.13 ambi=2 { CB:32.5 } ::sumAvg: 4.135 atom: 472 38K-QB B 2.13 ambi=2 { CB:32.5 } atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } :: atom: 472 38K-QB B 2.13 ambi=2 { CB:32.5 } atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } ::sumAvg: 4.73 atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } atom: 472 38K-QB B 2.13 ambi=2 { CB:32.5 } :: atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } atom: 472 38K-QB B 2.13 ambi=2 { CB:32.5 } ::sumAvg: 4.73 atom: 474 38K-QG G 1.62 ambi=2 { CG:29.1 } atom: 487 39W-HA A 5 ambi=1 { CA:55.7 } ::sumAvg: 4.78 atom: 476 38K-QD D 1.82 ambi=2 { CD:30.3 } atom: 478 38K-QE E 2.93 ambi=2 { CE:42.1 } ::sumAvg: 2.04 atom: 478 38K-QE E 2.93 ambi=2 { CE:42.1 } atom: 476 38K-QD D 1.82 ambi=2 { CD:30.3 } ::sumAvg: 2.04 atom: 487 39W-HA A 5 ambi=1 { CA:55.7 } atom: 507 40Y-HB2 B 2.97 ambi=2 { CB:40.3 } :: atom: 487 39W-HA A 5 ambi=1 { CA:55.7 } atom: 508 40Y-HB3 B 2.84 ambi=2 { CB:40.3 } ::sumAvg: 4.605 atom: 487 39W-HA A 5 ambi=1 { CA:55.7 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } ::sumAvg: 4.755 atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } atom: 487 39W-HA A 5 ambi=1 { CA:55.7 } ::sumAvg: 4.755 atom: 487 39W-HA A 5 ambi=1 { CA:55.7 } atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } :: atom: 487 39W-HA A 5 ambi=1 { CA:55.7 } atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } ::sumAvg: 4.535 atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } atom: 487 39W-HA A 5 ambi=1 { CA:55.7 } :: atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } atom: 487 39W-HA A 5 ambi=1 { CA:55.7 } ::sumAvg: 4.535 atom: 487 39W-HA A 5 ambi=1 { CA:55.7 } atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } ::sumAvg: 3.86 atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } atom: 487 39W-HA A 5 ambi=1 { CA:55.7 } ::sumAvg: 3.86 atom: 487 39W-HA A 5 ambi=1 { CA:55.7 } atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } ::sumAvg: 3.135 atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } atom: 487 39W-HA A 5 ambi=1 { CA:55.7 } ::sumAvg: 3.135 atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } atom: 491 39W-HE1 E1 9.92 ambi=1 { NE1:128 } :: atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } atom: 491 39W-HE1 E1 9.92 ambi=1 { NE1:128 } ::sumAvg: 4.895 atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } atom: 505 40Y-H N 9.27 ambi=1 { N:114 } :: atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } atom: 505 40Y-H N 9.27 ambi=1 { N:114 } ::sumAvg: 3.22 atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } atom: 506 40Y-HA A 5.28 ambi=1 { CA:55.7 } :: atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } atom: 506 40Y-HA A 5.28 ambi=1 { CA:55.7 } ::sumAvg: 4.495 atom: 506 40Y-HA A 5.28 ambi=1 { CA:55.7 } atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } :: atom: 506 40Y-HA A 5.28 ambi=1 { CA:55.7 } atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } ::sumAvg: 4.495 atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } :: atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } ::sumAvg: 4.97 atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } :: atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } ::sumAvg: 4.955 atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } :: atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } ::sumAvg: 4.955 atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } :: atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } ::sumAvg: 4.1 atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } :: atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } ::sumAvg: 4.1 atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } :: atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } ::sumAvg: 3.665 atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } atom: 488 39W-HB2 B 3.08 ambi=2 { CB:30.3 } :: atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } atom: 489 39W-HB3 B 3.38 ambi=2 { CB:30.3 } ::sumAvg: 3.665 atom: 506 40Y-HA A 5.28 ambi=1 { CA:55.7 } atom: 490 39W-HD1 D1 7.15 ambi=1 { CD1:124.7 } ::sumAvg: 4.965 atom: 506 40Y-HA A 5.28 ambi=1 { CA:55.7 } atom: 492 39W-HE3 E3 7.11 ambi=1 { CE3:120.2 } ::sumAvg: 4.805 atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } atom: 492 39W-HE3 E3 7.11 ambi=1 { CE3:120.2 } ::sumAvg: 4.29 atom: 507 40Y-HB2 B 2.97 ambi=2 { CB:40.3 } atom: 505 40Y-H N 9.27 ambi=1 { N:114 } :: atom: 508 40Y-HB3 B 2.84 ambi=2 { CB:40.3 } atom: 505 40Y-H N 9.27 ambi=1 { N:114 } ::sumAvg: 2.76 atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } atom: 505 40Y-H N 9.27 ambi=1 { N:114 } ::sumAvg: 4.305 atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } atom: 505 40Y-H N 9.27 ambi=1 { N:114 } ::sumAvg: 3.695 atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } atom: 505 40Y-H N 9.27 ambi=1 { N:114 } :: atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } atom: 505 40Y-H N 9.27 ambi=1 { N:114 } ::sumAvg: 4.235 atom: 786 65K-HE2 E 2.86 ambi=2 { CE:42.4 } atom: 505 40Y-H N 9.27 ambi=1 { N:114 } :: atom: 787 65K-HE3 E 2.75 ambi=2 { CE:42.4 } atom: 505 40Y-H N 9.27 ambi=1 { N:114 } ::sumAvg: 4.905 atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } atom: 505 40Y-H N 9.27 ambi=1 { N:114 } ::sumAvg: 4.535 atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } atom: 505 40Y-H N 9.27 ambi=1 { N:114 } ::sumAvg: 3.21 atom: 506 40Y-HA A 5.28 ambi=1 { CA:55.7 } atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } ::sumAvg: 4.1 atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } atom: 506 40Y-HA A 5.28 ambi=1 { CA:55.7 } ::sumAvg: 4.1 atom: 507 40Y-HB2 B 2.97 ambi=2 { CB:40.3 } atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } :: atom: 508 40Y-HB3 B 2.84 ambi=2 { CB:40.3 } atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } ::sumAvg: 3.825 atom: 507 40Y-HB2 B 2.97 ambi=2 { CB:40.3 } atom: 514 41A-HA A 5.58 ambi=1 { CA:52.9 } :: atom: 508 40Y-HB3 B 2.84 ambi=2 { CB:40.3 } atom: 514 41A-HA A 5.58 ambi=1 { CA:52.9 } ::sumAvg: 4.48 atom: 514 41A-HA A 5.58 ambi=1 { CA:52.9 } atom: 507 40Y-HB2 B 2.97 ambi=2 { CB:40.3 } :: atom: 514 41A-HA A 5.58 ambi=1 { CA:52.9 } atom: 508 40Y-HB3 B 2.84 ambi=2 { CB:40.3 } ::sumAvg: 4.48 atom: 507 40Y-HB2 B 2.97 ambi=2 { CB:40.3 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } :: atom: 508 40Y-HB3 B 2.84 ambi=2 { CB:40.3 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } ::sumAvg: 4.105 atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } atom: 507 40Y-HB2 B 2.97 ambi=2 { CB:40.3 } :: atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } atom: 508 40Y-HB3 B 2.84 ambi=2 { CB:40.3 } ::sumAvg: 4.105 atom: 507 40Y-HB2 B 2.97 ambi=2 { CB:40.3 } atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } :: atom: 507 40Y-HB2 B 2.97 ambi=2 { CB:40.3 } atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } :: atom: 508 40Y-HB3 B 2.84 ambi=2 { CB:40.3 } atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } :: atom: 508 40Y-HB3 B 2.84 ambi=2 { CB:40.3 } atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } ::sumAvg: 4.81 atom: 507 40Y-HB2 B 2.97 ambi=2 { CB:40.3 } atom: 1071 91W-HE1 E1 10.31 ambi=1 { NE1:129.6 } :: atom: 508 40Y-HB3 B 2.84 ambi=2 { CB:40.3 } atom: 1071 91W-HE1 E1 10.31 ambi=1 { NE1:129.6 } ::sumAvg: 3.735 atom: 521 42L-HA A 5.2 ambi=1 { CA:54.1 } atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } ::sumAvg: 4.73 atom: 525 42L-HD1 D1 0.88 ambi=2 { CD1:26.7 } atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } :: atom: 526 42L-HD2 D2 0.74 ambi=2 { CD2:23.6 } atom: 513 41A-H N 7.76 ambi=1 { N:121.5 } ::sumAvg: 4.53 atom: 522 42L-HB2 B 1.64 ambi=2 { CB:45.9 } atom: 514 41A-HA A 5.58 ambi=1 { CA:52.9 } :: atom: 523 42L-HB3 B 1.36 ambi=2 { CB:45.9 } atom: 514 41A-HA A 5.58 ambi=1 { CA:52.9 } ::sumAvg: 4.5 atom: 514 41A-HA A 5.58 ambi=1 { CA:52.9 } atom: 525 42L-HD1 D1 0.88 ambi=2 { CD1:26.7 } :: atom: 514 41A-HA A 5.58 ambi=1 { CA:52.9 } atom: 526 42L-HD2 D2 0.74 ambi=2 { CD2:23.6 } ::sumAvg: 4.48 atom: 525 42L-HD1 D1 0.88 ambi=2 { CD1:26.7 } atom: 514 41A-HA A 5.58 ambi=1 { CA:52.9 } :: atom: 526 42L-HD2 D2 0.74 ambi=2 { CD2:23.6 } atom: 514 41A-HA A 5.58 ambi=1 { CA:52.9 } ::sumAvg: 4.48 atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } atom: 521 42L-HA A 5.2 ambi=1 { CA:54.1 } ::sumAvg: 4.005 atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } ::sumAvg: 4.955 atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } atom: 766 64L-HA A 4.96 ambi=1 { CA:53.5 } ::sumAvg: 4.07 atom: 515 41A-HB B 1.34 ambi=1 { CB:21.9 } atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } ::sumAvg: 4.825 atom: 524 42L-HG G 1.32 ambi=1 { CG:28.3 } atom: 520 42L-H N 8.3 ambi=1 { N:123.7 } ::sumAvg: 3.5 atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } atom: 520 42L-H N 8.3 ambi=1 { N:123.7 } ::sumAvg: 4.855 atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } atom: 520 42L-H N 8.3 ambi=1 { N:123.7 } ::sumAvg: 4.255 atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } atom: 520 42L-H N 8.3 ambi=1 { N:123.7 } ::sumAvg: 4.29 atom: 522 42L-HB2 B 1.64 ambi=2 { CB:45.9 } atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } :: atom: 522 42L-HB2 B 1.64 ambi=2 { CB:45.9 } atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } ::sumAvg: 4.82 atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } atom: 522 42L-HB2 B 1.64 ambi=2 { CB:45.9 } :: atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } atom: 522 42L-HB2 B 1.64 ambi=2 { CB:45.9 } ::sumAvg: 4.82 atom: 522 42L-HB2 B 1.64 ambi=2 { CB:45.9 } atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } :: atom: 523 42L-HB3 B 1.36 ambi=2 { CB:45.9 } atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } ::sumAvg: 4.915 atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } atom: 522 42L-HB2 B 1.64 ambi=2 { CB:45.9 } :: atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } atom: 523 42L-HB3 B 1.36 ambi=2 { CB:45.9 } ::sumAvg: 4.915 atom: 524 42L-HG G 1.32 ambi=1 { CG:28.3 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } ::sumAvg: 4.265 atom: 524 42L-HG G 1.32 ambi=1 { CG:28.3 } atom: 554 44M-HE E 1.72 ambi=1 { CE:18 } ::sumAvg: 3.13 atom: 526 42L-HD2 D2 0.74 ambi=2 { CD2:23.6 } atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } ::sumAvg: 3.38 atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } atom: 526 42L-HD2 D2 0.74 ambi=2 { CD2:23.6 } ::sumAvg: 3.38 atom: 525 42L-HD1 D1 0.88 ambi=2 { CD1:26.7 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } :: atom: 526 42L-HD2 D2 0.74 ambi=2 { CD2:23.6 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } ::sumAvg: 2.865 atom: 525 42L-HD1 D1 0.88 ambi=2 { CD1:26.7 } atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } :: atom: 526 42L-HD2 D2 0.74 ambi=2 { CD2:23.6 } atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } ::sumAvg: 4.63 atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } ::sumAvg: 2.995 atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } ::sumAvg: 4.595 atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } ::sumAvg: 4.875 atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } :: atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } ::sumAvg: 4.64 atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } ::sumAvg: 4.14 atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } ::sumAvg: 4.735 atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } atom: 534 43L-H N 9.7 ambi=1 { N:130.4 } ::sumAvg: 4.705 atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } ::sumAvg: 4.475 atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } ::sumAvg: 4.475 atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } :: atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } ::sumAvg: 4.75 atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } ::sumAvg: 3.39 atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } ::sumAvg: 3.39 atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } atom: 554 44M-HE E 1.72 ambi=1 { CE:18 } ::sumAvg: 4.535 atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } ::sumAvg: 4.74 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } ::sumAvg: 4.22 atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } atom: 753 62I-H N 8.53 ambi=1 { N:112 } ::sumAvg: 4.95 atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } ::sumAvg: 4.04 atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } ::sumAvg: 4.04 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 535 43L-HA A 5.25 ambi=1 { CA:54 } ::sumAvg: 4.35 atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } atom: 548 44M-H N 8.8 ambi=1 { N:122.8 } :: atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } atom: 548 44M-H N 8.8 ambi=1 { N:122.8 } ::sumAvg: 4.11 atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } :: atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } ::sumAvg: 4.675 atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } :: atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } ::sumAvg: 4.675 atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } :: atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } ::sumAvg: 4.145 atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } :: atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } ::sumAvg: 4.145 atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } ::sumAvg: 4.395 atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } ::sumAvg: 4.395 atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 536 43L-HB2 B 2.21 ambi=2 { CB:46 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } :: atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 537 43L-HB3 B 1.36 ambi=2 { CB:46 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 4.705 atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } atom: 548 44M-H N 8.8 ambi=1 { N:122.8 } ::sumAvg: 3.3 atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } ::sumAvg: 4.805 atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } ::sumAvg: 3.83 atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } ::sumAvg: 3.83 atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 2.225 atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } ::sumAvg: 2.225 atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 3.05 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 538 43L-HG G 1.63 ambi=1 { CG:27.7 } ::sumAvg: 3.05 atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } ::sumAvg: 4.345 atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } ::sumAvg: 4.345 atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } :: atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } ::sumAvg: 4.055 atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } :: atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } ::sumAvg: 4.055 atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } :: atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } ::sumAvg: 4.705 atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } :: atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } ::sumAvg: 4.705 atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } :: atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } ::sumAvg: 4.475 atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } :: atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } ::sumAvg: 4.475 atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } :: atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } ::sumAvg: 3.855 atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } :: atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } ::sumAvg: 4.515 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } ::sumAvg: 4.515 atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } :: atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } ::sumAvg: 4.035 atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } ::sumAvg: 4.735 atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } ::sumAvg: 4.735 atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } :: atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } ::sumAvg: 4.69 atom: 540 43L-HD2 D2 0.75 ambi=2 { CD2:23.6 } atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } ::sumAvg: 4.63 atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 2.51 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 539 43L-HD1 D1 1.07 ambi=2 { CD1:27 } ::sumAvg: 2.51 atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } atom: 548 44M-H N 8.8 ambi=1 { N:122.8 } ::sumAvg: 2.95 atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } atom: 548 44M-H N 8.8 ambi=1 { N:122.8 } :: atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } atom: 548 44M-H N 8.8 ambi=1 { N:122.8 } ::sumAvg: 4.96 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 548 44M-H N 8.8 ambi=1 { N:122.8 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 548 44M-H N 8.8 ambi=1 { N:122.8 } ::sumAvg: 3.05 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 548 44M-H N 8.8 ambi=1 { N:122.8 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 548 44M-H N 8.8 ambi=1 { N:122.8 } ::sumAvg: 4.605 atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } ::sumAvg: 4.445 atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } :: atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } ::sumAvg: 4.67 atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } ::sumAvg: 4.63 atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } ::sumAvg: 4.63 atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } ::sumAvg: 4.995 atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } :: atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } ::sumAvg: 4.65 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 549 44M-HA A 4.42 ambi=1 { CA:55 } ::sumAvg: 4.65 atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } ::sumAvg: 2.255 atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } :: atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } ::sumAvg: 4.605 atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } :: atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } ::sumAvg: 4.605 atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } :: atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } :: atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } :: atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } ::sumAvg: 4.975 atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } :: atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } :: atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } :: atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } ::sumAvg: 4.975 atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } :: atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } ::sumAvg: 4.965 atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } :: atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 4.87 atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } :: atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } ::sumAvg: 4.87 atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } :: atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } ::sumAvg: 4.895 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 550 44M-HB2 B 1.18 ambi=2 { CB:39.1 } :: atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 551 44M-HB3 B 1.05 ambi=2 { CB:39.1 } ::sumAvg: 3.475 atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } ::sumAvg: 4.035 atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } ::sumAvg: 4.925 atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } ::sumAvg: 4.925 atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } :: atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } ::sumAvg: 4.45 atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } ::sumAvg: 2.93 atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } ::sumAvg: 2.93 atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 4.23 atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } ::sumAvg: 4.23 atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } ::sumAvg: 4.43 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } ::sumAvg: 2.88 atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } ::sumAvg: 4.075 atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } atom: 552 44M-QG G 1.51 ambi=2 { CG:32 } ::sumAvg: 4.075 atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 554 44M-HE E 1.72 ambi=1 { CE:18 } :: atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } atom: 554 44M-HE E 1.72 ambi=1 { CE:18 } ::sumAvg: 4.3 atom: 554 44M-HE E 1.72 ambi=1 { CE:18 } atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } ::sumAvg: 2.725 atom: 554 44M-HE E 1.72 ambi=1 { CE:18 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } ::sumAvg: 4.94 atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } atom: 554 44M-HE E 1.72 ambi=1 { CE:18 } ::sumAvg: 4.33 atom: 554 44M-HE E 1.72 ambi=1 { CE:18 } atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } ::sumAvg: 4.895 atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } atom: 554 44M-HE E 1.72 ambi=1 { CE:18 } ::sumAvg: 4.895 atom: 554 44M-HE E 1.72 ambi=1 { CE:18 } atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } ::sumAvg: 4.765 atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } atom: 554 44M-HE E 1.72 ambi=1 { CE:18 } ::sumAvg: 4.765 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 554 44M-HE E 1.72 ambi=1 { CE:18 } ::sumAvg: 2.92 atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } ::sumAvg: 4.965 atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } ::sumAvg: 3.68 atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } ::sumAvg: 4.85 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 561 45D-H N 7.96 ambi=1 { N:119.4 } ::sumAvg: 4.765 atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } ::sumAvg: 4.465 atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } ::sumAvg: 4.465 atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } :: atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } ::sumAvg: 3.895 atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } ::sumAvg: 3.65 atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } ::sumAvg: 3.65 atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } atom: 708 58R-HB2 B 1.61 ambi=2 { CB:31.7 } :: atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } atom: 709 58R-HB3 B 1.57 ambi=2 { CB:31.7 } ::sumAvg: 4.92 atom: 708 58R-HB2 B 1.61 ambi=2 { CB:31.7 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } :: atom: 709 58R-HB3 B 1.57 ambi=2 { CB:31.7 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } ::sumAvg: 4.92 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } ::sumAvg: 4.495 atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } atom: 734 60D-H N 8.29 ambi=1 { N:120.7 } ::sumAvg: 4.785 atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } ::sumAvg: 4.415 atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } :: atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } ::sumAvg: 4.415 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 562 45D-HA A 5.49 ambi=1 { CA:51.9 } ::sumAvg: 3.46 atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } :: atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } ::sumAvg: 4.565 atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } :: atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } ::sumAvg: 4.565 atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } :: atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } ::sumAvg: 4.655 atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } :: atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } ::sumAvg: 4.655 atom: 708 58R-HB2 B 1.61 ambi=2 { CB:31.7 } atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } :: atom: 709 58R-HB3 B 1.57 ambi=2 { CB:31.7 } atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } :: atom: 708 58R-HB2 B 1.61 ambi=2 { CB:31.7 } atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } :: atom: 709 58R-HB3 B 1.57 ambi=2 { CB:31.7 } atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } ::sumAvg: 3.74 atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } atom: 723 59V-H N 9.03 ambi=1 { N:115.6 } :: atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } atom: 723 59V-H N 9.03 ambi=1 { N:115.6 } ::sumAvg: 4.795 atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } :: atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } ::sumAvg: 3.715 atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } atom: 563 45D-HB2 B 2.75 ambi=2 { CB:40.8 } :: atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } atom: 564 45D-HB3 B 2.33 ambi=2 { CB:40.8 } ::sumAvg: 3.715 atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } atom: 569 46I-H N 8.8 ambi=1 { N:117.4 } ::sumAvg: 2.98 atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } atom: 569 46I-H N 8.8 ambi=1 { N:117.4 } ::sumAvg: 3.895 atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } atom: 569 46I-H N 8.8 ambi=1 { N:117.4 } :: atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 569 46I-H N 8.8 ambi=1 { N:117.4 } ::sumAvg: 4.83 atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } atom: 569 46I-H N 8.8 ambi=1 { N:117.4 } ::sumAvg: 4.895 atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } atom: 569 46I-H N 8.8 ambi=1 { N:117.4 } ::sumAvg: 4.53 atom: 708 58R-HB2 B 1.61 ambi=2 { CB:31.7 } atom: 569 46I-H N 8.8 ambi=1 { N:117.4 } :: atom: 709 58R-HB3 B 1.57 ambi=2 { CB:31.7 } atom: 569 46I-H N 8.8 ambi=1 { N:117.4 } ::sumAvg: 4.395 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 569 46I-H N 8.8 ambi=1 { N:117.4 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 569 46I-H N 8.8 ambi=1 { N:117.4 } ::sumAvg: 3.22 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 569 46I-H N 8.8 ambi=1 { N:117.4 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 569 46I-H N 8.8 ambi=1 { N:117.4 } ::sumAvg: 3.355 atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } :: atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } ::sumAvg: 3.62 atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } :: atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } ::sumAvg: 3.62 atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 4.155 atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } ::sumAvg: 4.45 atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } ::sumAvg: 4.45 atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } atom: 585 47P-HG2 G 1.97 ambi=2 { CG:28.4 } :: atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } atom: 586 47P-HG3 G 2.09 ambi=2 { CG:28.4 } ::sumAvg: 4.33 atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } ::sumAvg: 4.95 atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } ::sumAvg: 4.95 atom: 710 58R-HG2 G 1.32 ambi=2 { CG:26.7 } atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } :: atom: 711 58R-HG3 G 1.59 ambi=2 { CG:26.7 } atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } ::sumAvg: 4.73 atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } atom: 723 59V-H N 9.03 ambi=1 { N:115.6 } ::sumAvg: 4.61 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } ::sumAvg: 4.955 atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } :: atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } ::sumAvg: 4.875 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 570 46I-HA A 4.87 ambi=1 { CA:57.7 } ::sumAvg: 4.875 atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } ::sumAvg: 2.465 atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } ::sumAvg: 2.465 atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } ::sumAvg: 4.955 atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } atom: 583 47P-HB2 B 2.46 ambi=2 { CB:31.9 } :: atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } atom: 584 47P-HB3 B 1.83 ambi=2 { CB:31.9 } ::sumAvg: 4.985 atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } atom: 585 47P-HG2 G 1.97 ambi=2 { CG:28.4 } :: atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } atom: 586 47P-HG3 G 2.09 ambi=2 { CG:28.4 } ::sumAvg: 4.285 atom: 585 47P-HG2 G 1.97 ambi=2 { CG:28.4 } atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } :: atom: 586 47P-HG3 G 2.09 ambi=2 { CG:28.4 } atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } ::sumAvg: 4.285 atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } ::sumAvg: 3.27 atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } atom: 620 50K-HE2 E 2.75 ambi=2 { CE:42.6 } :: atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } atom: 621 50K-HE3 E 2.86 ambi=2 { CE:42.6 } ::sumAvg: 4.93 atom: 620 50K-HE2 E 2.75 ambi=2 { CE:42.6 } atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } :: atom: 621 50K-HE3 E 2.86 ambi=2 { CE:42.6 } atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } ::sumAvg: 4.93 atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } ::sumAvg: 4.365 atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } ::sumAvg: 4.365 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } ::sumAvg: 4.785 atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } :: atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } ::sumAvg: 4.24 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } ::sumAvg: 4.24 atom: 571 46I-HB B 1.28 ambi=1 { CB:40.1 } atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } ::sumAvg: 4.545 atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } ::sumAvg: 2.315 atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } :: atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } ::sumAvg: 4.615 atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } :: atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } ::sumAvg: 4.615 atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } :: atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } :: atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } :: atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } ::sumAvg: 4.09 atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } :: atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } :: atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } :: atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } ::sumAvg: 4.09 atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } :: atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } ::sumAvg: 4.17 atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } :: atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } ::sumAvg: 4.93 atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } :: atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } :: atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } :: atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } ::sumAvg: 3.6 atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } :: atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } ::sumAvg: 3.6 atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } :: atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } ::sumAvg: 4.695 atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } :: atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } ::sumAvg: 4.695 atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 629 51I-H N 7.19 ambi=1 { N:109 } :: atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } atom: 629 51I-H N 7.19 ambi=1 { N:109 } ::sumAvg: 4.82 atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } ::sumAvg: 3.275 atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } ::sumAvg: 3.275 atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } :: atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } ::sumAvg: 4.21 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } ::sumAvg: 2.86 atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } :: atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } ::sumAvg: 4.825 atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } :: atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } ::sumAvg: 4.12 atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } :: atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } ::sumAvg: 4.44 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 573 46I-HG13 G1 0.99 ambi=2 { CG1:24.7 } ::sumAvg: 2.14 atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 4.575 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } ::sumAvg: 4.575 atom: 572 46I-HG12 G1 0.51 ambi=2 { CG1:24.7 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 4.85 atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } ::sumAvg: 1.99 atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } ::sumAvg: 4.515 atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } ::sumAvg: 4.495 atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } ::sumAvg: 4.495 atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } ::sumAvg: 4.365 atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } ::sumAvg: 4.365 atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } ::sumAvg: 4.415 atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 4.48 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 574 46I-HG2 G2 0.44 ambi=1 { CG2:19 } ::sumAvg: 4.48 atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } :: atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 3.98 atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } ::sumAvg: 4.625 atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 4.625 atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } atom: 613 50K-HA A 4.06 ambi=1 { CA:56.9 } ::sumAvg: 4.94 atom: 613 50K-HA A 4.06 ambi=1 { CA:56.9 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 4.94 atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 2.555 atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } ::sumAvg: 3.81 atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 3.81 atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } ::sumAvg: 3.925 atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 3.925 atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } atom: 629 51I-H N 7.19 ambi=1 { N:109 } ::sumAvg: 4.035 atom: 630 51I-HA A 4.49 ambi=1 { CA:60.1 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 4.355 atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 4.505 atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } :: atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 3.81 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 3.61 atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } ::sumAvg: 4.995 atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 3.765 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 2.01 atom: 1007 84Y-HB2 B 2.65 ambi=2 { CB:39.5 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } :: atom: 1008 84Y-HB3 B 2.47 ambi=2 { CB:39.5 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 4.125 atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } ::sumAvg: 4.49 atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 4.49 atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 2.695 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 2.695 atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 4.48 atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } :: atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } atom: 575 46I-HD1 D1 0.01 ambi=1 { CD1:14.5 } ::sumAvg: 4.48 atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } :: atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } ::sumAvg: 3.695 atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } :: atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } ::sumAvg: 3.695 atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } ::sumAvg: 4.385 atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } ::sumAvg: 4.385 atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 4.025 atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } ::sumAvg: 4.73 atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } ::sumAvg: 4.73 atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } ::sumAvg: 4.71 atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } ::sumAvg: 4.87 atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } ::sumAvg: 4.87 atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } atom: 689 57K-H N 7.78 ambi=1 { N:119.5 } ::sumAvg: 4.665 atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } atom: 706 58R-H N 8.41 ambi=1 { N:120.9 } ::sumAvg: 4.495 atom: 708 58R-HB2 B 1.61 ambi=2 { CB:31.7 } atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } :: atom: 709 58R-HB3 B 1.57 ambi=2 { CB:31.7 } atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } ::sumAvg: 4.715 atom: 710 58R-HG2 G 1.32 ambi=2 { CG:26.7 } atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } :: atom: 711 58R-HG3 G 1.59 ambi=2 { CG:26.7 } atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } ::sumAvg: 3.495 atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } atom: 712 58R-HD2 D 3.2 ambi=2 { CD:43.9 } :: atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } atom: 713 58R-HD3 D 3.02 ambi=2 { CD:43.9 } ::sumAvg: 4.365 atom: 712 58R-HD2 D 3.2 ambi=2 { CD:43.9 } atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } :: atom: 713 58R-HD3 D 3.02 ambi=2 { CD:43.9 } atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } ::sumAvg: 4.365 atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } :: atom: 582 47P-HA A 4.42 ambi=1 { CA:63 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } ::sumAvg: 3.88 atom: 585 47P-HG2 G 1.97 ambi=2 { CG:28.4 } atom: 583 47P-HB2 B 2.46 ambi=2 { CB:31.9 } ::sumAvg: 2.335 atom: 583 47P-HB2 B 2.46 ambi=2 { CB:31.9 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } :: atom: 584 47P-HB3 B 1.83 ambi=2 { CB:31.9 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 4.695 atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 583 47P-HB2 B 2.46 ambi=2 { CB:31.9 } :: atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 584 47P-HB3 B 1.83 ambi=2 { CB:31.9 } ::sumAvg: 4.695 atom: 583 47P-HB2 B 2.46 ambi=2 { CB:31.9 } atom: 601 49E-H N 8.7 ambi=1 { N:114.9 } :: atom: 584 47P-HB3 B 1.83 ambi=2 { CB:31.9 } atom: 601 49E-H N 8.7 ambi=1 { N:114.9 } ::sumAvg: 2.955 atom: 584 47P-HB3 B 1.83 ambi=2 { CB:31.9 } atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } ::sumAvg: 3.23 atom: 583 47P-HB2 B 2.46 ambi=2 { CB:31.9 } atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } :: atom: 583 47P-HB2 B 2.46 ambi=2 { CB:31.9 } atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } ::sumAvg: 4.25 atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 583 47P-HB2 B 2.46 ambi=2 { CB:31.9 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 583 47P-HB2 B 2.46 ambi=2 { CB:31.9 } ::sumAvg: 4.25 atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } atom: 583 47P-HB2 B 2.46 ambi=2 { CB:31.9 } :: atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } atom: 584 47P-HB3 B 1.83 ambi=2 { CB:31.9 } ::sumAvg: 2.855 atom: 583 47P-HB2 B 2.46 ambi=2 { CB:31.9 } atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } ::sumAvg: 4.6 atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } atom: 583 47P-HB2 B 2.46 ambi=2 { CB:31.9 } ::sumAvg: 4.6 atom: 584 47P-HB3 B 1.83 ambi=2 { CB:31.9 } atom: 620 50K-HE2 E 2.75 ambi=2 { CE:42.6 } :: atom: 584 47P-HB3 B 1.83 ambi=2 { CB:31.9 } atom: 621 50K-HE3 E 2.86 ambi=2 { CE:42.6 } ::sumAvg: 4.285 atom: 620 50K-HE2 E 2.75 ambi=2 { CE:42.6 } atom: 584 47P-HB3 B 1.83 ambi=2 { CB:31.9 } :: atom: 621 50K-HE3 E 2.86 ambi=2 { CE:42.6 } atom: 584 47P-HB3 B 1.83 ambi=2 { CB:31.9 } ::sumAvg: 4.285 atom: 584 47P-HB3 B 1.83 ambi=2 { CB:31.9 } atom: 683 56D-HB2 B 2.64 ambi=2 { CB:40.5 } :: atom: 584 47P-HB3 B 1.83 ambi=2 { CB:31.9 } atom: 684 56D-HB3 B 2.69 ambi=2 { CB:40.5 } ::sumAvg: 4.715 atom: 683 56D-HB2 B 2.64 ambi=2 { CB:40.5 } atom: 584 47P-HB3 B 1.83 ambi=2 { CB:31.9 } :: atom: 684 56D-HB3 B 2.69 ambi=2 { CB:40.5 } atom: 584 47P-HB3 B 1.83 ambi=2 { CB:31.9 } ::sumAvg: 4.715 atom: 682 56D-HA A 4.7 ambi=1 { CA:53.4 } atom: 583 47P-HB2 B 2.46 ambi=2 { CB:31.9 } :: atom: 682 56D-HA A 4.7 ambi=1 { CA:53.4 } atom: 584 47P-HB3 B 1.83 ambi=2 { CB:31.9 } ::sumAvg: 3.35 atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } atom: 583 47P-HB2 B 2.46 ambi=2 { CB:31.9 } :: atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } atom: 584 47P-HB3 B 1.83 ambi=2 { CB:31.9 } ::sumAvg: 4.65 atom: 710 58R-HG2 G 1.32 ambi=2 { CG:26.7 } atom: 583 47P-HB2 B 2.46 ambi=2 { CB:31.9 } :: atom: 711 58R-HG3 G 1.59 ambi=2 { CG:26.7 } atom: 583 47P-HB2 B 2.46 ambi=2 { CB:31.9 } :: atom: 710 58R-HG2 G 1.32 ambi=2 { CG:26.7 } atom: 584 47P-HB3 B 1.83 ambi=2 { CB:31.9 } ::sumAvg: 4.89 atom: 585 47P-HG2 G 1.97 ambi=2 { CG:28.4 } atom: 594 48A-H N 8.55 ambi=1 { N:130.1 } :: atom: 586 47P-HG3 G 2.09 ambi=2 { CG:28.4 } atom: 594 48A-H N 8.55 ambi=1 { N:130.1 } ::sumAvg: 4.92 atom: 585 47P-HG2 G 1.97 ambi=2 { CG:28.4 } atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } :: atom: 586 47P-HG3 G 2.09 ambi=2 { CG:28.4 } atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } ::sumAvg: 2.605 atom: 586 47P-HG3 G 2.09 ambi=2 { CG:28.4 } atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } ::sumAvg: 3.84 atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } atom: 586 47P-HG3 G 2.09 ambi=2 { CG:28.4 } ::sumAvg: 3.84 atom: 585 47P-HG2 G 1.97 ambi=2 { CG:28.4 } atom: 710 58R-HG2 G 1.32 ambi=2 { CG:26.7 } :: atom: 586 47P-HG3 G 2.09 ambi=2 { CG:28.4 } atom: 710 58R-HG2 G 1.32 ambi=2 { CG:26.7 } :: atom: 586 47P-HG3 G 2.09 ambi=2 { CG:28.4 } atom: 711 58R-HG3 G 1.59 ambi=2 { CG:26.7 } ::sumAvg: 4.475 atom: 710 58R-HG2 G 1.32 ambi=2 { CG:26.7 } atom: 585 47P-HG2 G 1.97 ambi=2 { CG:28.4 } :: atom: 710 58R-HG2 G 1.32 ambi=2 { CG:26.7 } atom: 586 47P-HG3 G 2.09 ambi=2 { CG:28.4 } :: atom: 711 58R-HG3 G 1.59 ambi=2 { CG:26.7 } atom: 586 47P-HG3 G 2.09 ambi=2 { CG:28.4 } ::sumAvg: 4.475 atom: 585 47P-HG2 G 1.97 ambi=2 { CG:28.4 } atom: 712 58R-HD2 D 3.2 ambi=2 { CD:43.9 } :: atom: 585 47P-HG2 G 1.97 ambi=2 { CG:28.4 } atom: 713 58R-HD3 D 3.02 ambi=2 { CD:43.9 } :: atom: 586 47P-HG3 G 2.09 ambi=2 { CG:28.4 } atom: 712 58R-HD2 D 3.2 ambi=2 { CD:43.9 } :: atom: 586 47P-HG3 G 2.09 ambi=2 { CG:28.4 } atom: 713 58R-HD3 D 3.02 ambi=2 { CD:43.9 } ::sumAvg: 4.975 atom: 712 58R-HD2 D 3.2 ambi=2 { CD:43.9 } atom: 585 47P-HG2 G 1.97 ambi=2 { CG:28.4 } :: atom: 713 58R-HD3 D 3.02 ambi=2 { CD:43.9 } atom: 585 47P-HG2 G 1.97 ambi=2 { CG:28.4 } :: atom: 712 58R-HD2 D 3.2 ambi=2 { CD:43.9 } atom: 586 47P-HG3 G 2.09 ambi=2 { CG:28.4 } :: atom: 713 58R-HD3 D 3.02 ambi=2 { CD:43.9 } atom: 586 47P-HG3 G 2.09 ambi=2 { CG:28.4 } ::sumAvg: 4.975 atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } :: atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } ::sumAvg: 4.39 atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } :: atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } :: atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } :: atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } ::sumAvg: 3.57 atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } :: atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } ::sumAvg: 3.57 atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } :: atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } ::sumAvg: 2.6 atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } :: atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } ::sumAvg: 2.6 atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } :: atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } ::sumAvg: 3.425 atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } :: atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } ::sumAvg: 3.425 atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } atom: 620 50K-HE2 E 2.75 ambi=2 { CE:42.6 } :: atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } atom: 621 50K-HE3 E 2.86 ambi=2 { CE:42.6 } :: atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 620 50K-HE2 E 2.75 ambi=2 { CE:42.6 } :: atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 621 50K-HE3 E 2.86 ambi=2 { CE:42.6 } ::sumAvg: 3.455 atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } :: atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } ::sumAvg: 4.975 atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } :: atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } ::sumAvg: 4.975 atom: 710 58R-HG2 G 1.32 ambi=2 { CG:26.7 } atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } :: atom: 711 58R-HG3 G 1.59 ambi=2 { CG:26.7 } atom: 587 47P-HD2 D 3.34 ambi=2 { CD:51.1 } :: atom: 710 58R-HG2 G 1.32 ambi=2 { CG:26.7 } atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } :: atom: 711 58R-HG3 G 1.59 ambi=2 { CG:26.7 } atom: 588 47P-HD3 D 3.8 ambi=2 { CD:51.1 } ::sumAvg: 4.3 atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } atom: 594 48A-H N 8.55 ambi=1 { N:130.1 } ::sumAvg: 4.78 atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } atom: 594 48A-H N 8.55 ambi=1 { N:130.1 } ::sumAvg: 4.205 atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } atom: 594 48A-H N 8.55 ambi=1 { N:130.1 } :: atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } atom: 594 48A-H N 8.55 ambi=1 { N:130.1 } ::sumAvg: 4.975 atom: 682 56D-HA A 4.7 ambi=1 { CA:53.4 } atom: 594 48A-H N 8.55 ambi=1 { N:130.1 } ::sumAvg: 3.67 atom: 690 57K-HA A 4.4 ambi=1 { CA:55.6 } atom: 594 48A-H N 8.55 ambi=1 { N:130.1 } ::sumAvg: 4.42 atom: 691 57K-HB2 B 1.82 ambi=2 { CB:33.7 } atom: 594 48A-H N 8.55 ambi=1 { N:130.1 } :: atom: 692 57K-HB3 B 1.74 ambi=2 { CB:33.7 } atom: 594 48A-H N 8.55 ambi=1 { N:130.1 } ::sumAvg: 4.465 atom: 693 57K-QG G 1.31 ambi=2 { CG:24.7 } atom: 594 48A-H N 8.55 ambi=1 { N:130.1 } ::sumAvg: 4.39 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 594 48A-H N 8.55 ambi=1 { N:130.1 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 594 48A-H N 8.55 ambi=1 { N:130.1 } ::sumAvg: 3.375 atom: 652 53I-HG12 G1 0.85 ambi=2 { CG1:27.8 } atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } :: atom: 653 53I-HG13 G1 1.22 ambi=2 { CG1:27.8 } atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } ::sumAvg: 4.82 atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } atom: 602 49E-HA A 4.18 ambi=1 { CA:58.2 } ::sumAvg: 4.855 atom: 602 49E-HA A 4.18 ambi=1 { CA:58.2 } atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } ::sumAvg: 4.855 atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } :: atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } ::sumAvg: 4.725 atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } ::sumAvg: 4.725 atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } :: atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } ::sumAvg: 2.295 atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } ::sumAvg: 3.875 atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } ::sumAvg: 3.875 atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } atom: 643 52G-H N 7.37 ambi=1 { N:106.9 } ::sumAvg: 4.86 atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } atom: 655 53I-HD1 D1 0.59 ambi=1 { CD1:14 } ::sumAvg: 3.635 atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } atom: 723 59V-H N 9.03 ambi=1 { N:115.6 } ::sumAvg: 4.665 atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 4.6 atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } :: atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } atom: 595 48A-HA A 3.55 ambi=1 { CA:55.2 } ::sumAvg: 4.6 atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } ::sumAvg: 4.34 atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 4.34 atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } ::sumAvg: 4.08 atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 4.08 atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } ::sumAvg: 4.45 atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 629 51I-H N 7.19 ambi=1 { N:109 } ::sumAvg: 4.36 atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } ::sumAvg: 3.65 atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 3.65 atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } ::sumAvg: 4.91 atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 4.91 atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } ::sumAvg: 3.305 atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 643 52G-H N 7.37 ambi=1 { N:106.9 } ::sumAvg: 4.85 atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 650 53I-HA A 4.04 ambi=1 { CA:60.5 } ::sumAvg: 4.295 atom: 676 55G-HA2 A 4.23 ambi=2 { CA:44.8 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } :: atom: 677 55G-HA3 A 3.74 ambi=2 { CA:44.8 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 3.73 atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 655 53I-HD1 D1 0.59 ambi=1 { CD1:14 } ::sumAvg: 2.78 atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 664 54N-HA A 4.54 ambi=1 { CA:53.7 } ::sumAvg: 4.965 atom: 664 54N-HA A 4.54 ambi=1 { CA:53.7 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 4.965 atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 665 54N-HB2 B 2.82 ambi=2 { CB:39 } :: atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 666 54N-HB3 B 2.69 ambi=2 { CB:39 } ::sumAvg: 4.735 atom: 665 54N-HB2 B 2.82 ambi=2 { CB:39 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } :: atom: 666 54N-HB3 B 2.69 ambi=2 { CB:39 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 4.735 atom: 682 56D-HA A 4.7 ambi=1 { CA:53.4 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 3.72 atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 725 59V-HB B 1.95 ambi=1 { CB:34.7 } ::sumAvg: 4.8 atom: 725 59V-HB B 1.95 ambi=1 { CB:34.7 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 4.8 atom: 690 57K-HA A 4.4 ambi=1 { CA:55.6 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 4.44 atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 691 57K-HB2 B 1.82 ambi=2 { CB:33.7 } :: atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 692 57K-HB3 B 1.74 ambi=2 { CB:33.7 } ::sumAvg: 3.415 atom: 691 57K-HB2 B 1.82 ambi=2 { CB:33.7 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } :: atom: 692 57K-HB3 B 1.74 ambi=2 { CB:33.7 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 3.415 atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 695 57K-QD D 1.62 ambi=2 { CD:28.9 } ::sumAvg: 4.555 atom: 695 57K-QD D 1.62 ambi=2 { CD:28.9 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 4.555 atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 697 57K-QE E 2.91 ambi=2 { CE:42.2 } ::sumAvg: 4.34 atom: 697 57K-QE E 2.91 ambi=2 { CE:42.2 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 4.34 atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } atom: 706 58R-H N 8.41 ambi=1 { N:120.9 } ::sumAvg: 4.965 atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 4.345 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 596 48A-HB B 1.17 ambi=1 { CB:17.7 } ::sumAvg: 2.435 atom: 651 53I-HB B 1.45 ambi=1 { CB:38.7 } atom: 601 49E-H N 8.7 ambi=1 { N:114.9 } ::sumAvg: 4.88 atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } atom: 601 49E-H N 8.7 ambi=1 { N:114.9 } ::sumAvg: 4.39 atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } atom: 601 49E-H N 8.7 ambi=1 { N:114.9 } :: atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } atom: 601 49E-H N 8.7 ambi=1 { N:114.9 } ::sumAvg: 4.88 atom: 676 55G-HA2 A 4.23 ambi=2 { CA:44.8 } atom: 601 49E-H N 8.7 ambi=1 { N:114.9 } :: atom: 677 55G-HA3 A 3.74 ambi=2 { CA:44.8 } atom: 601 49E-H N 8.7 ambi=1 { N:114.9 } ::sumAvg: 4.785 atom: 602 49E-HA A 4.18 ambi=1 { CA:58.2 } atom: 651 53I-HB B 1.45 ambi=1 { CB:38.7 } ::sumAvg: 4.645 atom: 651 53I-HB B 1.45 ambi=1 { CB:38.7 } atom: 602 49E-HA A 4.18 ambi=1 { CA:58.2 } ::sumAvg: 4.645 atom: 602 49E-HA A 4.18 ambi=1 { CA:58.2 } atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } ::sumAvg: 2.245 atom: 602 49E-HA A 4.18 ambi=1 { CA:58.2 } atom: 629 51I-H N 7.19 ambi=1 { N:109 } ::sumAvg: 4.015 atom: 602 49E-HA A 4.18 ambi=1 { CA:58.2 } atom: 645 52G-HA3 A 3.73 ambi=2 { CA:46.1 } ::sumAvg: 3.995 atom: 645 52G-HA3 A 3.73 ambi=2 { CA:46.1 } atom: 602 49E-HA A 4.18 ambi=1 { CA:58.2 } ::sumAvg: 3.995 atom: 602 49E-HA A 4.18 ambi=1 { CA:58.2 } atom: 677 55G-HA3 A 3.74 ambi=2 { CA:44.8 } ::sumAvg: 4.655 atom: 602 49E-HA A 4.18 ambi=1 { CA:58.2 } atom: 682 56D-HA A 4.7 ambi=1 { CA:53.4 } ::sumAvg: 4.935 atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } atom: 613 50K-HA A 4.06 ambi=1 { CA:56.9 } ::sumAvg: 4.165 atom: 613 50K-HA A 4.06 ambi=1 { CA:56.9 } atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } ::sumAvg: 4.165 atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } ::sumAvg: 4.025 atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } ::sumAvg: 4.025 atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } ::sumAvg: 4.5 atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } ::sumAvg: 4.5 atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } atom: 620 50K-HE2 E 2.75 ambi=2 { CE:42.6 } :: atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } atom: 621 50K-HE3 E 2.86 ambi=2 { CE:42.6 } ::sumAvg: 4.745 atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } atom: 629 51I-H N 7.19 ambi=1 { N:109 } ::sumAvg: 4.795 atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } atom: 643 52G-H N 7.37 ambi=1 { N:106.9 } ::sumAvg: 4.615 atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } atom: 649 53I-H N 7.26 ambi=1 { N:121.9 } ::sumAvg: 4.955 atom: 676 55G-HA2 A 4.23 ambi=2 { CA:44.8 } atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } :: atom: 677 55G-HA3 A 3.74 ambi=2 { CA:44.8 } atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } ::sumAvg: 4.79 atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } atom: 675 55G-H N 8.24 ambi=1 { N:110.2 } ::sumAvg: 4.695 atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } atom: 683 56D-HB2 B 2.64 ambi=2 { CB:40.5 } :: atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } atom: 684 56D-HB3 B 2.69 ambi=2 { CB:40.5 } ::sumAvg: 4.565 atom: 683 56D-HB2 B 2.64 ambi=2 { CB:40.5 } atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } :: atom: 684 56D-HB3 B 2.69 ambi=2 { CB:40.5 } atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } ::sumAvg: 4.565 atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } atom: 681 56D-H N 8.32 ambi=1 { N:119 } ::sumAvg: 4.09 atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } atom: 682 56D-HA A 4.7 ambi=1 { CA:53.4 } ::sumAvg: 3.45 atom: 682 56D-HA A 4.7 ambi=1 { CA:53.4 } atom: 603 49E-QB B 2.1 ambi=2 { CB:28.2 } ::sumAvg: 3.45 atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } atom: 613 50K-HA A 4.06 ambi=1 { CA:56.9 } ::sumAvg: 4.54 atom: 613 50K-HA A 4.06 ambi=1 { CA:56.9 } atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } ::sumAvg: 4.54 atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } ::sumAvg: 3.92 atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } ::sumAvg: 4.92 atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } ::sumAvg: 4.92 atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } atom: 675 55G-H N 8.24 ambi=1 { N:110.2 } ::sumAvg: 4.49 atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } atom: 684 56D-HB3 B 2.69 ambi=2 { CB:40.5 } ::sumAvg: 3.64 atom: 684 56D-HB3 B 2.69 ambi=2 { CB:40.5 } atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } ::sumAvg: 3.64 atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } atom: 681 56D-H N 8.32 ambi=1 { N:119 } ::sumAvg: 4.025 atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } atom: 682 56D-HA A 4.7 ambi=1 { CA:53.4 } ::sumAvg: 2.59 atom: 682 56D-HA A 4.7 ambi=1 { CA:53.4 } atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } ::sumAvg: 2.59 atom: 605 49E-QG G 2.28 ambi=2 { CG:34.6 } atom: 689 57K-H N 7.78 ambi=1 { N:119.5 } ::sumAvg: 4.995 atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } ::sumAvg: 3.685 atom: 620 50K-HE2 E 2.75 ambi=2 { CE:42.6 } atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } :: atom: 621 50K-HE3 E 2.86 ambi=2 { CE:42.6 } atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } ::sumAvg: 4.675 atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } :: atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } ::sumAvg: 4.03 atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } atom: 612 50K-H N 7.91 ambi=1 { N:118.1 } ::sumAvg: 4.22 atom: 613 50K-HA A 4.06 ambi=1 { CA:56.9 } atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } ::sumAvg: 2.645 atom: 613 50K-HA A 4.06 ambi=1 { CA:56.9 } atom: 620 50K-HE2 E 2.75 ambi=2 { CE:42.6 } :: atom: 613 50K-HA A 4.06 ambi=1 { CA:56.9 } atom: 621 50K-HE3 E 2.86 ambi=2 { CE:42.6 } ::sumAvg: 4.58 atom: 620 50K-HE2 E 2.75 ambi=2 { CE:42.6 } atom: 613 50K-HA A 4.06 ambi=1 { CA:56.9 } :: atom: 621 50K-HE3 E 2.86 ambi=2 { CE:42.6 } atom: 613 50K-HA A 4.06 ambi=1 { CA:56.9 } ::sumAvg: 4.58 atom: 613 50K-HA A 4.06 ambi=1 { CA:56.9 } atom: 630 51I-HA A 4.49 ambi=1 { CA:60.1 } ::sumAvg: 4.595 atom: 630 51I-HA A 4.49 ambi=1 { CA:60.1 } atom: 613 50K-HA A 4.06 ambi=1 { CA:56.9 } ::sumAvg: 4.595 atom: 613 50K-HA A 4.06 ambi=1 { CA:56.9 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } ::sumAvg: 4.605 atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 620 50K-HE2 E 2.75 ambi=2 { CE:42.6 } :: atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 621 50K-HE3 E 2.86 ambi=2 { CE:42.6 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 620 50K-HE2 E 2.75 ambi=2 { CE:42.6 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 621 50K-HE3 E 2.86 ambi=2 { CE:42.6 } ::sumAvg: 4.285 atom: 620 50K-HE2 E 2.75 ambi=2 { CE:42.6 } atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } :: atom: 621 50K-HE3 E 2.86 ambi=2 { CE:42.6 } atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } :: atom: 620 50K-HE2 E 2.75 ambi=2 { CE:42.6 } atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } :: atom: 621 50K-HE3 E 2.86 ambi=2 { CE:42.6 } atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } ::sumAvg: 4.285 atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 629 51I-H N 7.19 ambi=1 { N:109 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 629 51I-H N 7.19 ambi=1 { N:109 } ::sumAvg: 3.02 atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } :: atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } ::sumAvg: 4.185 atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } :: atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } :: atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } :: atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } ::sumAvg: 4.185 atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } ::sumAvg: 3.01 atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 643 52G-H N 7.37 ambi=1 { N:106.9 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 643 52G-H N 7.37 ambi=1 { N:106.9 } ::sumAvg: 4.94 atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 1007 84Y-HB2 B 2.65 ambi=2 { CB:39.5 } :: atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 1008 84Y-HB3 B 2.47 ambi=2 { CB:39.5 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 1007 84Y-HB2 B 2.65 ambi=2 { CB:39.5 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 1008 84Y-HB3 B 2.47 ambi=2 { CB:39.5 } ::sumAvg: 4.355 atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 1009 84Y-QD D 6.84 ambi=3 { CD1:133.1 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 1009 84Y-QD D 6.84 ambi=3 { CD1:133.1 } ::sumAvg: 3.46 atom: 614 50K-HB2 B 1.73 ambi=2 { CB:31.7 } atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } :: atom: 615 50K-HB3 B 1.71 ambi=2 { CB:31.7 } atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } ::sumAvg: 3.97 atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } atom: 620 50K-HE2 E 2.75 ambi=2 { CE:42.6 } :: atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } atom: 621 50K-HE3 E 2.86 ambi=2 { CE:42.6 } ::sumAvg: 2.38 atom: 620 50K-HE2 E 2.75 ambi=2 { CE:42.6 } atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } :: atom: 621 50K-HE3 E 2.86 ambi=2 { CE:42.6 } atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } ::sumAvg: 2.38 atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } atom: 629 51I-H N 7.19 ambi=1 { N:109 } ::sumAvg: 4.285 atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } ::sumAvg: 4.57 atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } atom: 1009 84Y-QD D 6.84 ambi=3 { CD1:133.1 } ::sumAvg: 4.695 atom: 616 50K-QG G 1.42 ambi=2 { CG:25.2 } atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } ::sumAvg: 4.3 atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } atom: 620 50K-HE2 E 2.75 ambi=2 { CE:42.6 } :: atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } atom: 621 50K-HE3 E 2.86 ambi=2 { CE:42.6 } ::sumAvg: 2.34 atom: 620 50K-HE2 E 2.75 ambi=2 { CE:42.6 } atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } :: atom: 621 50K-HE3 E 2.86 ambi=2 { CE:42.6 } atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } ::sumAvg: 2.34 atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } atom: 1007 84Y-HB2 B 2.65 ambi=2 { CB:39.5 } :: atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } atom: 1008 84Y-HB3 B 2.47 ambi=2 { CB:39.5 } ::sumAvg: 4.54 atom: 1007 84Y-HB2 B 2.65 ambi=2 { CB:39.5 } atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } :: atom: 1008 84Y-HB3 B 2.47 ambi=2 { CB:39.5 } atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } ::sumAvg: 4.54 atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } atom: 1009 84Y-QD D 6.84 ambi=3 { CD1:133.1 } ::sumAvg: 4.04 atom: 618 50K-QD D 1.635 ambi=2 { CD:27.7 } atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } ::sumAvg: 4.265 atom: 651 53I-HB B 1.45 ambi=1 { CB:38.7 } atom: 629 51I-H N 7.19 ambi=1 { N:109 } ::sumAvg: 4.61 atom: 652 53I-HG12 G1 0.85 ambi=2 { CG1:27.8 } atom: 629 51I-H N 7.19 ambi=1 { N:109 } :: atom: 653 53I-HG13 G1 1.22 ambi=2 { CG1:27.8 } atom: 629 51I-H N 7.19 ambi=1 { N:109 } ::sumAvg: 4.895 atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } atom: 629 51I-H N 7.19 ambi=1 { N:109 } ::sumAvg: 3.75 atom: 644 52G-HA2 A 4.05 ambi=2 { CA:46.1 } atom: 629 51I-H N 7.19 ambi=1 { N:109 } :: atom: 645 52G-HA3 A 3.73 ambi=2 { CA:46.1 } atom: 629 51I-H N 7.19 ambi=1 { N:109 } ::sumAvg: 4.7 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 629 51I-H N 7.19 ambi=1 { N:109 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 629 51I-H N 7.19 ambi=1 { N:109 } ::sumAvg: 4.725 atom: 630 51I-HA A 4.49 ambi=1 { CA:60.1 } atom: 644 52G-HA2 A 4.05 ambi=2 { CA:46.1 } :: atom: 630 51I-HA A 4.49 ambi=1 { CA:60.1 } atom: 645 52G-HA3 A 3.73 ambi=2 { CA:46.1 } ::sumAvg: 4.35 atom: 644 52G-HA2 A 4.05 ambi=2 { CA:46.1 } atom: 630 51I-HA A 4.49 ambi=1 { CA:60.1 } :: atom: 645 52G-HA3 A 3.73 ambi=2 { CA:46.1 } atom: 630 51I-HA A 4.49 ambi=1 { CA:60.1 } ::sumAvg: 4.35 atom: 630 51I-HA A 4.49 ambi=1 { CA:60.1 } atom: 649 53I-H N 7.26 ambi=1 { N:121.9 } ::sumAvg: 4.86 atom: 630 51I-HA A 4.49 ambi=1 { CA:60.1 } atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } :: atom: 630 51I-HA A 4.49 ambi=1 { CA:60.1 } atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } ::sumAvg: 3.57 atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } atom: 630 51I-HA A 4.49 ambi=1 { CA:60.1 } :: atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } atom: 630 51I-HA A 4.49 ambi=1 { CA:60.1 } ::sumAvg: 3.57 atom: 630 51I-HA A 4.49 ambi=1 { CA:60.1 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } ::sumAvg: 4.315 atom: 630 51I-HA A 4.49 ambi=1 { CA:60.1 } atom: 1009 84Y-QD D 6.84 ambi=3 { CD1:133.1 } ::sumAvg: 4.855 atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } atom: 652 53I-HG12 G1 0.85 ambi=2 { CG1:27.8 } :: atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } atom: 653 53I-HG13 G1 1.22 ambi=2 { CG1:27.8 } ::sumAvg: 4.2 atom: 652 53I-HG12 G1 0.85 ambi=2 { CG1:27.8 } atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } :: atom: 653 53I-HG13 G1 1.22 ambi=2 { CG1:27.8 } atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } ::sumAvg: 4.2 atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } :: atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } ::sumAvg: 2.48 atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } atom: 643 52G-H N 7.37 ambi=1 { N:106.9 } ::sumAvg: 4.355 atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } atom: 644 52G-HA2 A 4.05 ambi=2 { CA:46.1 } :: atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } atom: 645 52G-HA3 A 3.73 ambi=2 { CA:46.1 } ::sumAvg: 4.965 atom: 644 52G-HA2 A 4.05 ambi=2 { CA:46.1 } atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } :: atom: 645 52G-HA3 A 3.73 ambi=2 { CA:46.1 } atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } ::sumAvg: 4.965 atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } atom: 649 53I-H N 7.26 ambi=1 { N:121.9 } ::sumAvg: 4.78 atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } atom: 655 53I-HD1 D1 0.59 ambi=1 { CD1:14 } ::sumAvg: 4.14 atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } :: atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } ::sumAvg: 4.54 atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } :: atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } ::sumAvg: 3.01 atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } :: atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } ::sumAvg: 3.01 atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } ::sumAvg: 4.095 atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 4.865 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } ::sumAvg: 4.865 atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } :: atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } atom: 631 51I-HB B 1.73 ambi=1 { CB:37.4 } ::sumAvg: 4.4 atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } atom: 653 53I-HG13 G1 1.22 ambi=2 { CG1:27.8 } ::sumAvg: 2.32 atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } ::sumAvg: 2.305 atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } ::sumAvg: 2.305 atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } atom: 643 52G-H N 7.37 ambi=1 { N:106.9 } :: atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } atom: 643 52G-H N 7.37 ambi=1 { N:106.9 } ::sumAvg: 3.325 atom: 644 52G-HA2 A 4.05 ambi=2 { CA:46.1 } atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } :: atom: 645 52G-HA3 A 3.73 ambi=2 { CA:46.1 } atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } :: atom: 644 52G-HA2 A 4.05 ambi=2 { CA:46.1 } atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } :: atom: 645 52G-HA3 A 3.73 ambi=2 { CA:46.1 } atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } ::sumAvg: 4.395 atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } atom: 649 53I-H N 7.26 ambi=1 { N:121.9 } :: atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } atom: 649 53I-H N 7.26 ambi=1 { N:121.9 } ::sumAvg: 2.67 atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } atom: 650 53I-HA A 4.04 ambi=1 { CA:60.5 } :: atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } atom: 650 53I-HA A 4.04 ambi=1 { CA:60.5 } ::sumAvg: 4.7 atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } ::sumAvg: 3.35 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } ::sumAvg: 3.35 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } ::sumAvg: 4.435 atom: 632 51I-HG12 G1 0.95 ambi=2 { CG1:25.9 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } :: atom: 633 51I-HG13 G1 0.56 ambi=2 { CG1:25.9 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } ::sumAvg: 4.465 atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } atom: 643 52G-H N 7.37 ambi=1 { N:106.9 } ::sumAvg: 4.215 atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } ::sumAvg: 4.2 atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } ::sumAvg: 4.2 atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } :: atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } ::sumAvg: 3.14 atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } ::sumAvg: 4.655 atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } ::sumAvg: 4.08 atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } ::sumAvg: 3.735 atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 3.05 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } ::sumAvg: 3.05 atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } ::sumAvg: 4.63 atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } ::sumAvg: 4.63 atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } :: atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } ::sumAvg: 3.96 atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 3.37 atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } :: atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } atom: 634 51I-HG2 G2 0.4 ambi=1 { CG2:17.1 } ::sumAvg: 3.37 atom: 651 53I-HB B 1.45 ambi=1 { CB:38.7 } atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } ::sumAvg: 3.385 atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } atom: 649 53I-H N 7.26 ambi=1 { N:121.9 } ::sumAvg: 4.125 atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } atom: 654 53I-HG2 G2 0.79 ambi=1 { CG2:16.8 } ::sumAvg: 4.055 atom: 725 59V-HB B 1.95 ambi=1 { CB:34.7 } atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } ::sumAvg: 3.995 atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } ::sumAvg: 2.175 atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } :: atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } ::sumAvg: 4.06 atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 4.575 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } ::sumAvg: 4.575 atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } ::sumAvg: 4.25 atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } ::sumAvg: 4.25 atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } :: atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } ::sumAvg: 2.925 atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } ::sumAvg: 4.425 atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 635 51I-HD1 D1 0.1 ambi=1 { CD1:14.4 } ::sumAvg: 4.425 atom: 651 53I-HB B 1.45 ambi=1 { CB:38.7 } atom: 643 52G-H N 7.37 ambi=1 { N:106.9 } ::sumAvg: 4.64 atom: 652 53I-HG12 G1 0.85 ambi=2 { CG1:27.8 } atom: 643 52G-H N 7.37 ambi=1 { N:106.9 } :: atom: 653 53I-HG13 G1 1.22 ambi=2 { CG1:27.8 } atom: 643 52G-H N 7.37 ambi=1 { N:106.9 } ::sumAvg: 4.415 atom: 644 52G-HA2 A 4.05 ambi=2 { CA:46.1 } atom: 652 53I-HG12 G1 0.85 ambi=2 { CG1:27.8 } :: atom: 644 52G-HA2 A 4.05 ambi=2 { CA:46.1 } atom: 653 53I-HG13 G1 1.22 ambi=2 { CG1:27.8 } :: atom: 645 52G-HA3 A 3.73 ambi=2 { CA:46.1 } atom: 652 53I-HG12 G1 0.85 ambi=2 { CG1:27.8 } :: atom: 645 52G-HA3 A 3.73 ambi=2 { CA:46.1 } atom: 653 53I-HG13 G1 1.22 ambi=2 { CG1:27.8 } ::sumAvg: 4.285 atom: 644 52G-HA2 A 4.05 ambi=2 { CA:46.1 } atom: 649 53I-H N 7.26 ambi=1 { N:121.9 } :: atom: 645 52G-HA3 A 3.73 ambi=2 { CA:46.1 } atom: 649 53I-H N 7.26 ambi=1 { N:121.9 } ::sumAvg: 3.135 atom: 644 52G-HA2 A 4.05 ambi=2 { CA:46.1 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } :: atom: 645 52G-HA3 A 3.73 ambi=2 { CA:46.1 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } ::sumAvg: 4.49 atom: 644 52G-HA2 A 4.05 ambi=2 { CA:46.1 } atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } :: atom: 645 52G-HA3 A 3.73 ambi=2 { CA:46.1 } atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } ::sumAvg: 4.675 atom: 650 53I-HA A 4.04 ambi=1 { CA:60.5 } atom: 664 54N-HA A 4.54 ambi=1 { CA:53.7 } ::sumAvg: 4.39 atom: 664 54N-HA A 4.54 ambi=1 { CA:53.7 } atom: 650 53I-HA A 4.04 ambi=1 { CA:60.5 } ::sumAvg: 4.39 atom: 683 56D-HB2 B 2.64 ambi=2 { CB:40.5 } atom: 676 55G-HA2 A 4.23 ambi=2 { CA:44.8 } :: atom: 684 56D-HB3 B 2.69 ambi=2 { CB:40.5 } atom: 676 55G-HA2 A 4.23 ambi=2 { CA:44.8 } :: atom: 683 56D-HB2 B 2.64 ambi=2 { CB:40.5 } atom: 677 55G-HA3 A 3.74 ambi=2 { CA:44.8 } :: atom: 684 56D-HB3 B 2.69 ambi=2 { CB:40.5 } atom: 677 55G-HA3 A 3.74 ambi=2 { CA:44.8 } ::sumAvg: 4.38 atom: 676 55G-HA2 A 4.23 ambi=2 { CA:44.8 } atom: 682 56D-HA A 4.7 ambi=1 { CA:53.4 } :: atom: 677 55G-HA3 A 3.74 ambi=2 { CA:44.8 } atom: 682 56D-HA A 4.7 ambi=1 { CA:53.4 } ::sumAvg: 4.695 atom: 676 55G-HA2 A 4.23 ambi=2 { CA:44.8 } atom: 654 53I-HG2 G2 0.79 ambi=1 { CG2:16.8 } :: atom: 677 55G-HA3 A 3.74 ambi=2 { CA:44.8 } atom: 654 53I-HG2 G2 0.79 ambi=1 { CG2:16.8 } ::sumAvg: 4.25 atom: 654 53I-HG2 G2 0.79 ambi=1 { CG2:16.8 } atom: 667 54N-HD21 D2 7.6 ambi=1 { ND2:113 } ::sumAvg: 4.715 atom: 654 53I-HG2 G2 0.79 ambi=1 { CG2:16.8 } atom: 689 57K-H N 7.78 ambi=1 { N:119.5 } ::sumAvg: 4.96 atom: 655 53I-HD1 D1 0.59 ambi=1 { CD1:14 } atom: 725 59V-HB B 1.95 ambi=1 { CB:34.7 } ::sumAvg: 4.985 atom: 725 59V-HB B 1.95 ambi=1 { CB:34.7 } atom: 655 53I-HD1 D1 0.59 ambi=1 { CD1:14 } ::sumAvg: 4.985 atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } atom: 655 53I-HD1 D1 0.59 ambi=1 { CD1:14 } :: atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } atom: 655 53I-HD1 D1 0.59 ambi=1 { CD1:14 } ::sumAvg: 4.885 atom: 655 53I-HD1 D1 0.59 ambi=1 { CD1:14 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } ::sumAvg: 4.575 atom: 664 54N-HA A 4.54 ambi=1 { CA:53.7 } atom: 677 55G-HA3 A 3.74 ambi=2 { CA:44.8 } ::sumAvg: 4.59 atom: 677 55G-HA3 A 3.74 ambi=2 { CA:44.8 } atom: 664 54N-HA A 4.54 ambi=1 { CA:53.7 } ::sumAvg: 4.59 atom: 664 54N-HA A 4.54 ambi=1 { CA:53.7 } atom: 667 54N-HD21 D2 7.6 ambi=1 { ND2:113 } :: atom: 664 54N-HA A 4.54 ambi=1 { CA:53.7 } atom: 668 54N-HD22 D2 6.93 ambi=1 { ND2:113 } ::sumAvg: 4.285 atom: 682 56D-HA A 4.7 ambi=1 { CA:53.4 } atom: 675 55G-H N 8.24 ambi=1 { N:110.2 } ::sumAvg: 4.705 atom: 690 57K-HA A 4.4 ambi=1 { CA:55.6 } atom: 683 56D-HB2 B 2.64 ambi=2 { CB:40.5 } :: atom: 690 57K-HA A 4.4 ambi=1 { CA:55.6 } atom: 684 56D-HB3 B 2.69 ambi=2 { CB:40.5 } ::sumAvg: 4.84 atom: 690 57K-HA A 4.4 ambi=1 { CA:55.6 } atom: 681 56D-H N 8.32 ambi=1 { N:119 } ::sumAvg: 4.915 atom: 691 57K-HB2 B 1.82 ambi=2 { CB:33.7 } atom: 681 56D-H N 8.32 ambi=1 { N:119 } :: atom: 692 57K-HB3 B 1.74 ambi=2 { CB:33.7 } atom: 681 56D-H N 8.32 ambi=1 { N:119 } ::sumAvg: 4.66 atom: 693 57K-QG G 1.31 ambi=2 { CG:24.7 } atom: 681 56D-H N 8.32 ambi=1 { N:119 } ::sumAvg: 4.61 atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } ::sumAvg: 4.38 atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } ::sumAvg: 4.38 atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } ::sumAvg: 4.85 atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } :: atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } ::sumAvg: 4.85 atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 4.08 atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } atom: 1147 97N-HB2 B 2.94 ambi=2 { CB:37.7 } :: atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } atom: 1148 97N-HB3 B 2.9 ambi=2 { CB:37.7 } ::sumAvg: 4.215 atom: 1147 97N-HB2 B 2.94 ambi=2 { CB:37.7 } atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } :: atom: 1148 97N-HB3 B 2.9 ambi=2 { CB:37.7 } atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } ::sumAvg: 4.215 atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } atom: 1150 97N-HD22 D2 7.13 ambi=1 { ND2:113.6 } ::sumAvg: 4.91 atom: 725 59V-HB B 1.95 ambi=1 { CB:34.7 } atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } ::sumAvg: 4.785 atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } atom: 725 59V-HB B 1.95 ambi=1 { CB:34.7 } ::sumAvg: 4.785 atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } atom: 725 59V-HB B 1.95 ambi=1 { CB:34.7 } ::sumAvg: 4.955 atom: 725 59V-HB B 1.95 ambi=1 { CB:34.7 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 725 59V-HB B 1.95 ambi=1 { CB:34.7 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 1.955 atom: 725 59V-HB B 1.95 ambi=1 { CB:34.7 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } ::sumAvg: 4.025 atom: 725 59V-HB B 1.95 ambi=1 { CB:34.7 } atom: 1147 97N-HB2 B 2.94 ambi=2 { CB:37.7 } :: atom: 725 59V-HB B 1.95 ambi=1 { CB:34.7 } atom: 1148 97N-HB3 B 2.9 ambi=2 { CB:37.7 } ::sumAvg: 2.83 atom: 1147 97N-HB2 B 2.94 ambi=2 { CB:37.7 } atom: 725 59V-HB B 1.95 ambi=1 { CB:34.7 } :: atom: 1148 97N-HB3 B 2.9 ambi=2 { CB:37.7 } atom: 725 59V-HB B 1.95 ambi=1 { CB:34.7 } ::sumAvg: 2.83 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 689 57K-H N 7.78 ambi=1 { N:119.5 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 689 57K-H N 7.78 ambi=1 { N:119.5 } ::sumAvg: 4.58 atom: 690 57K-HA A 4.4 ambi=1 { CA:55.6 } atom: 693 57K-QG G 1.31 ambi=2 { CG:24.7 } ::sumAvg: 2.855 atom: 690 57K-HA A 4.4 ambi=1 { CA:55.6 } atom: 695 57K-QD D 1.62 ambi=2 { CD:28.9 } ::sumAvg: 3.165 atom: 690 57K-HA A 4.4 ambi=1 { CA:55.6 } atom: 708 58R-HB2 B 1.61 ambi=2 { CB:31.7 } :: atom: 690 57K-HA A 4.4 ambi=1 { CA:55.6 } atom: 709 58R-HB3 B 1.57 ambi=2 { CB:31.7 } ::sumAvg: 4.725 atom: 708 58R-HB2 B 1.61 ambi=2 { CB:31.7 } atom: 690 57K-HA A 4.4 ambi=1 { CA:55.6 } :: atom: 709 58R-HB3 B 1.57 ambi=2 { CB:31.7 } atom: 690 57K-HA A 4.4 ambi=1 { CA:55.6 } ::sumAvg: 4.725 atom: 690 57K-HA A 4.4 ambi=1 { CA:55.6 } atom: 710 58R-HG2 G 1.32 ambi=2 { CG:26.7 } :: atom: 690 57K-HA A 4.4 ambi=1 { CA:55.6 } atom: 711 58R-HG3 G 1.59 ambi=2 { CG:26.7 } ::sumAvg: 3.97 atom: 710 58R-HG2 G 1.32 ambi=2 { CG:26.7 } atom: 690 57K-HA A 4.4 ambi=1 { CA:55.6 } :: atom: 711 58R-HG3 G 1.59 ambi=2 { CG:26.7 } atom: 690 57K-HA A 4.4 ambi=1 { CA:55.6 } ::sumAvg: 3.97 atom: 690 57K-HA A 4.4 ambi=1 { CA:55.6 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } :: atom: 690 57K-HA A 4.4 ambi=1 { CA:55.6 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } ::sumAvg: 4.955 atom: 693 57K-QG G 1.31 ambi=2 { CG:24.7 } atom: 691 57K-HB2 B 1.82 ambi=2 { CB:33.7 } :: atom: 693 57K-QG G 1.31 ambi=2 { CG:24.7 } atom: 692 57K-HB3 B 1.74 ambi=2 { CB:33.7 } ::sumAvg: 2.26 atom: 691 57K-HB2 B 1.82 ambi=2 { CB:33.7 } atom: 697 57K-QE E 2.91 ambi=2 { CE:42.2 } :: atom: 692 57K-HB3 B 1.74 ambi=2 { CB:33.7 } atom: 697 57K-QE E 2.91 ambi=2 { CE:42.2 } ::sumAvg: 3.94 atom: 697 57K-QE E 2.91 ambi=2 { CE:42.2 } atom: 691 57K-HB2 B 1.82 ambi=2 { CB:33.7 } :: atom: 697 57K-QE E 2.91 ambi=2 { CE:42.2 } atom: 692 57K-HB3 B 1.74 ambi=2 { CB:33.7 } ::sumAvg: 3.94 atom: 691 57K-HB2 B 1.82 ambi=2 { CB:33.7 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } :: atom: 691 57K-HB2 B 1.82 ambi=2 { CB:33.7 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } :: atom: 692 57K-HB3 B 1.74 ambi=2 { CB:33.7 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } :: atom: 692 57K-HB3 B 1.74 ambi=2 { CB:33.7 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } ::sumAvg: 3.605 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 691 57K-HB2 B 1.82 ambi=2 { CB:33.7 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 691 57K-HB2 B 1.82 ambi=2 { CB:33.7 } :: atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 692 57K-HB3 B 1.74 ambi=2 { CB:33.7 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 692 57K-HB3 B 1.74 ambi=2 { CB:33.7 } ::sumAvg: 3.605 atom: 697 57K-QE E 2.91 ambi=2 { CE:42.2 } atom: 693 57K-QG G 1.31 ambi=2 { CG:24.7 } ::sumAvg: 2.135 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 693 57K-QG G 1.31 ambi=2 { CG:24.7 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 693 57K-QG G 1.31 ambi=2 { CG:24.7 } ::sumAvg: 3.375 atom: 695 57K-QD D 1.62 ambi=2 { CD:28.9 } atom: 706 58R-H N 8.41 ambi=1 { N:120.9 } ::sumAvg: 4.195 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 695 57K-QD D 1.62 ambi=2 { CD:28.9 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 695 57K-QD D 1.62 ambi=2 { CD:28.9 } ::sumAvg: 4.34 atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } atom: 706 58R-H N 8.41 ambi=1 { N:120.9 } ::sumAvg: 2.9 atom: 712 58R-HD2 D 3.2 ambi=2 { CD:43.9 } atom: 706 58R-H N 8.41 ambi=1 { N:120.9 } :: atom: 713 58R-HD3 D 3.02 ambi=2 { CD:43.9 } atom: 706 58R-H N 8.41 ambi=1 { N:120.9 } ::sumAvg: 4.44 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 706 58R-H N 8.41 ambi=1 { N:120.9 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 706 58R-H N 8.41 ambi=1 { N:120.9 } ::sumAvg: 4.265 atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } atom: 708 58R-HB2 B 1.61 ambi=2 { CB:31.7 } :: atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } atom: 709 58R-HB3 B 1.57 ambi=2 { CB:31.7 } ::sumAvg: 2.405 atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } atom: 710 58R-HG2 G 1.32 ambi=2 { CG:26.7 } :: atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } atom: 711 58R-HG3 G 1.59 ambi=2 { CG:26.7 } ::sumAvg: 2.67 atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } atom: 712 58R-HD2 D 3.2 ambi=2 { CD:43.9 } :: atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } atom: 713 58R-HD3 D 3.02 ambi=2 { CD:43.9 } ::sumAvg: 3.34 atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } atom: 714 58R-HE E 7.79 ambi=1 { NE:85.8 } ::sumAvg: 4.225 atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } :: atom: 707 58R-HA A 4.74 ambi=1 { CA:55.3 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } ::sumAvg: 3.64 atom: 708 58R-HB2 B 1.61 ambi=2 { CB:31.7 } atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } :: atom: 709 58R-HB3 B 1.57 ambi=2 { CB:31.7 } atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } ::sumAvg: 4.51 atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } atom: 708 58R-HB2 B 1.61 ambi=2 { CB:31.7 } :: atom: 724 59V-HA A 4.57 ambi=1 { CA:58.7 } atom: 709 58R-HB3 B 1.57 ambi=2 { CB:31.7 } ::sumAvg: 4.51 atom: 708 58R-HB2 B 1.61 ambi=2 { CB:31.7 } atom: 712 58R-HD2 D 3.2 ambi=2 { CD:43.9 } :: atom: 708 58R-HB2 B 1.61 ambi=2 { CB:31.7 } atom: 713 58R-HD3 D 3.02 ambi=2 { CD:43.9 } :: atom: 709 58R-HB3 B 1.57 ambi=2 { CB:31.7 } atom: 712 58R-HD2 D 3.2 ambi=2 { CD:43.9 } :: atom: 709 58R-HB3 B 1.57 ambi=2 { CB:31.7 } atom: 713 58R-HD3 D 3.02 ambi=2 { CD:43.9 } ::sumAvg: 2.68 atom: 708 58R-HB2 B 1.61 ambi=2 { CB:31.7 } atom: 714 58R-HE E 7.79 ambi=1 { NE:85.8 } :: atom: 709 58R-HB3 B 1.57 ambi=2 { CB:31.7 } atom: 714 58R-HE E 7.79 ambi=1 { NE:85.8 } ::sumAvg: 2.68 atom: 708 58R-HB2 B 1.61 ambi=2 { CB:31.7 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } :: atom: 708 58R-HB2 B 1.61 ambi=2 { CB:31.7 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } :: atom: 709 58R-HB3 B 1.57 ambi=2 { CB:31.7 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } :: atom: 709 58R-HB3 B 1.57 ambi=2 { CB:31.7 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } ::sumAvg: 4.635 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 708 58R-HB2 B 1.61 ambi=2 { CB:31.7 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 708 58R-HB2 B 1.61 ambi=2 { CB:31.7 } :: atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 709 58R-HB3 B 1.57 ambi=2 { CB:31.7 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 709 58R-HB3 B 1.57 ambi=2 { CB:31.7 } ::sumAvg: 4.635 atom: 710 58R-HG2 G 1.32 ambi=2 { CG:26.7 } atom: 723 59V-H N 9.03 ambi=1 { N:115.6 } :: atom: 711 58R-HG3 G 1.59 ambi=2 { CG:26.7 } atom: 723 59V-H N 9.03 ambi=1 { N:115.6 } ::sumAvg: 4.47 atom: 712 58R-HD2 D 3.2 ambi=2 { CD:43.9 } atom: 723 59V-H N 9.03 ambi=1 { N:115.6 } :: atom: 713 58R-HD3 D 3.02 ambi=2 { CD:43.9 } atom: 723 59V-H N 9.03 ambi=1 { N:115.6 } ::sumAvg: 4.885 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } ::sumAvg: 4.145 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } ::sumAvg: 4.8 atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } :: atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } ::sumAvg: 4.8 atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } :: atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } ::sumAvg: 4.955 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } ::sumAvg: 4.565 atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } :: atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } ::sumAvg: 4.565 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } :: atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } ::sumAvg: 4.485 atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } :: atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } :: atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } :: atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } ::sumAvg: 4.485 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } ::sumAvg: 4.67 atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } :: atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } ::sumAvg: 4.67 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 2.24 atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } ::sumAvg: 2.24 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } ::sumAvg: 4.955 atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } :: atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } ::sumAvg: 4.815 atom: 1147 97N-HB2 B 2.94 ambi=2 { CB:37.7 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } :: atom: 1148 97N-HB3 B 2.9 ambi=2 { CB:37.7 } atom: 727 59V-HG2 G2 0.48 ambi=2 { CG2:18.3 } :: atom: 1147 97N-HB2 B 2.94 ambi=2 { CB:37.7 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } :: atom: 1148 97N-HB3 B 2.9 ambi=2 { CB:37.7 } atom: 726 59V-HG1 G1 0.74 ambi=2 { CG1:22.4 } ::sumAvg: 3.18 atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } atom: 882 74L-H N 8.34 ambi=1 { N:124.6 } ::sumAvg: 2.915 atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } :: atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } ::sumAvg: 4.405 atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } :: atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } ::sumAvg: 4.405 atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } :: atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } ::sumAvg: 4.065 atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } atom: 896 75R-H N 7.85 ambi=1 { N:113.3 } ::sumAvg: 4.91 atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } atom: 921 76K-QE E 2.91 ambi=2 { CE:42 } ::sumAvg: 3.865 atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } atom: 919 76K-QD D 1.64 ambi=2 { CD:29.2 } ::sumAvg: 4.99 atom: 919 76K-QD D 1.64 ambi=2 { CD:29.2 } atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } ::sumAvg: 4.99 atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } atom: 934 77K-HG2 G 1.57 ambi=2 { CG:25 } :: atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } atom: 935 77K-HG3 G 1.4 ambi=2 { CG:25 } ::sumAvg: 4.785 atom: 934 77K-HG2 G 1.57 ambi=2 { CG:25 } atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } :: atom: 935 77K-HG3 G 1.4 ambi=2 { CG:25 } atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } ::sumAvg: 4.785 atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } atom: 938 77K-QE E 3.09 ambi=2 { CE:42.5 } ::sumAvg: 4.075 atom: 938 77K-QE E 3.09 ambi=2 { CE:42.5 } atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } ::sumAvg: 4.075 atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } atom: 734 60D-H N 8.29 ambi=1 { N:120.7 } :: atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } atom: 734 60D-H N 8.29 ambi=1 { N:120.7 } ::sumAvg: 4.115 atom: 1147 97N-HB2 B 2.94 ambi=2 { CB:37.7 } atom: 734 60D-H N 8.29 ambi=1 { N:120.7 } :: atom: 1148 97N-HB3 B 2.9 ambi=2 { CB:37.7 } atom: 734 60D-H N 8.29 ambi=1 { N:120.7 } ::sumAvg: 3.595 atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } ::sumAvg: 4.475 atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } ::sumAvg: 4.475 atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 4.515 atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } :: atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } ::sumAvg: 4.515 atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } :: atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } ::sumAvg: 4.765 atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } :: atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } ::sumAvg: 4.765 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 735 60D-HA A 5.56 ambi=1 { CA:53.6 } ::sumAvg: 4.34 atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } :: atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } ::sumAvg: 4.475 atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } ::sumAvg: 4.475 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } ::sumAvg: 4.79 atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } :: atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 4.585 atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } :: atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 4.44 atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } :: atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } ::sumAvg: 4.44 atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } :: atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } ::sumAvg: 4.12 atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } :: atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } ::sumAvg: 4.275 atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } :: atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } ::sumAvg: 4.275 atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } :: atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } ::sumAvg: 4.245 atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } atom: 1149 97N-HD21 D2 7.68 ambi=1 { ND2:113.6 } :: atom: 736 60D-HB2 B 2.51 ambi=2 { CB:43.1 } atom: 1150 97N-HD22 D2 7.13 ambi=1 { ND2:113.6 } :: atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } atom: 1149 97N-HD21 D2 7.68 ambi=1 { ND2:113.6 } :: atom: 737 60D-HB3 B 2.24 ambi=2 { CB:43.1 } atom: 1150 97N-HD22 D2 7.13 ambi=1 { ND2:113.6 } ::sumAvg: 3.835 atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } ::sumAvg: 3.915 atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } ::sumAvg: 4.84 atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } ::sumAvg: 4.28 atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } :: atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } ::sumAvg: 4.49 atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } :: atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } ::sumAvg: 4.76 atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } ::sumAvg: 4.68 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 742 61V-H N 9.08 ambi=1 { N:115.2 } ::sumAvg: 3.88 atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } ::sumAvg: 4.515 atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } ::sumAvg: 4.515 atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } atom: 756 62I-HG12 G1 1.45 ambi=2 { CG1:25.7 } :: atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } ::sumAvg: 3.89 atom: 756 62I-HG12 G1 1.45 ambi=2 { CG1:25.7 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } :: atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } ::sumAvg: 3.89 atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 3.63 atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } ::sumAvg: 3.63 atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 4.7 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } ::sumAvg: 4.7 atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } :: atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } ::sumAvg: 4.84 atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } :: atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } ::sumAvg: 4.63 atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } ::sumAvg: 4.9 atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } ::sumAvg: 4.9 atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } :: atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } ::sumAvg: 3.81 atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } :: atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } ::sumAvg: 3.81 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } ::sumAvg: 3.685 atom: 743 61V-HA A 5.15 ambi=1 { CA:57.6 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } ::sumAvg: 4.585 atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } ::sumAvg: 4.415 atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } ::sumAvg: 4.415 atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } atom: 756 62I-HG12 G1 1.45 ambi=2 { CG1:25.7 } :: atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } ::sumAvg: 4.785 atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 4.785 atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } ::sumAvg: 4.33 atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } ::sumAvg: 4.33 atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } ::sumAvg: 3.445 atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } ::sumAvg: 3.445 atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 2.79 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } ::sumAvg: 2.79 atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } ::sumAvg: 3.47 atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } ::sumAvg: 3.47 atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } ::sumAvg: 4.74 atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 4.055 atom: 744 61V-HB B 1.99 ambi=1 { CB:35.5 } atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } ::sumAvg: 4.545 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } :: atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } ::sumAvg: 4.65 atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } :: atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } :: atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } :: atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } ::sumAvg: 4.65 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } ::sumAvg: 4.225 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } ::sumAvg: 4.52 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } ::sumAvg: 4.72 atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } :: atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } ::sumAvg: 4.72 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } ::sumAvg: 3.875 atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } :: atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } ::sumAvg: 3.875 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 1102 93T-HG1 G1 4.8 ambi=1 {attached_atom is not_assigned} :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 1102 93T-HG1 G1 4.8 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.57 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 2.685 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } :: atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } ::sumAvg: 2.685 atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } :: atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } ::sumAvg: 2.125 atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } :: atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } ::sumAvg: 4.055 atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 1.945 atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } :: atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } ::sumAvg: 4.59 atom: 745 61V-HG1 G1 0.54 ambi=2 { CG1:21 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } :: atom: 746 61V-HG2 G2 0.52 ambi=2 { CG2:18.3 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } ::sumAvg: 4.19 atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } atom: 753 62I-H N 8.53 ambi=1 { N:112 } ::sumAvg: 3.85 atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } atom: 753 62I-H N 8.53 ambi=1 { N:112 } ::sumAvg: 3.905 atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } atom: 753 62I-H N 8.53 ambi=1 { N:112 } ::sumAvg: 4.43 atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } atom: 753 62I-H N 8.53 ambi=1 { N:112 } ::sumAvg: 4.99 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 753 62I-H N 8.53 ambi=1 { N:112 } ::sumAvg: 3.94 atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } atom: 753 62I-H N 8.53 ambi=1 { N:112 } ::sumAvg: 4.765 atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 753 62I-H N 8.53 ambi=1 { N:112 } ::sumAvg: 3.805 atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } atom: 753 62I-H N 8.53 ambi=1 { N:112 } :: atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } atom: 753 62I-H N 8.53 ambi=1 { N:112 } ::sumAvg: 4.915 atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } atom: 753 62I-H N 8.53 ambi=1 { N:112 } ::sumAvg: 3.43 atom: 756 62I-HG12 G1 1.45 ambi=2 { CG1:25.7 } atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } :: atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } ::sumAvg: 3.665 atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } ::sumAvg: 4.145 atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 4.665 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } ::sumAvg: 4.665 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 754 62I-HA A 5.55 ambi=1 { CA:57.8 } ::sumAvg: 4.435 atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } ::sumAvg: 2.475 atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } ::sumAvg: 2.475 atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } ::sumAvg: 4.68 atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } ::sumAvg: 4.68 atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } ::sumAvg: 4.615 atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } ::sumAvg: 4.615 atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 4.545 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 755 62I-HB B 1.25 ambi=1 { CB:41.7 } ::sumAvg: 4.545 atom: 767 64L-HB2 B 1.47 ambi=2 { CB:47 } atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } :: atom: 768 64L-HB3 B 1.43 ambi=2 { CB:47 } atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } ::sumAvg: 4.095 atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } ::sumAvg: 4.75 atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } ::sumAvg: 4.75 atom: 756 62I-HG12 G1 1.45 ambi=2 { CG1:25.7 } atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } :: atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } ::sumAvg: 3.91 atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } atom: 756 62I-HG12 G1 1.45 ambi=2 { CG1:25.7 } :: atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } ::sumAvg: 4.695 atom: 756 62I-HG12 G1 1.45 ambi=2 { CG1:25.7 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } :: atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } ::sumAvg: 4.94 atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } atom: 756 62I-HG12 G1 1.45 ambi=2 { CG1:25.7 } :: atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } ::sumAvg: 4.94 atom: 756 62I-HG12 G1 1.45 ambi=2 { CG1:25.7 } atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } :: atom: 756 62I-HG12 G1 1.45 ambi=2 { CG1:25.7 } atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } ::sumAvg: 3.25 atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 756 62I-HG12 G1 1.45 ambi=2 { CG1:25.7 } :: atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } ::sumAvg: 4.925 atom: 756 62I-HG12 G1 1.45 ambi=2 { CG1:25.7 } atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } :: atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } ::sumAvg: 4.71 atom: 757 62I-HG13 G1 0.72 ambi=2 { CG1:25.7 } atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } ::sumAvg: 3.15 atom: 756 62I-HG12 G1 1.45 ambi=2 { CG1:25.7 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 756 62I-HG12 G1 1.45 ambi=2 { CG1:25.7 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 2.915 atom: 756 62I-HG12 G1 1.45 ambi=2 { CG1:25.7 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 4.3 atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } atom: 756 62I-HG12 G1 1.45 ambi=2 { CG1:25.7 } ::sumAvg: 4.3 atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } ::sumAvg: 4.57 atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } ::sumAvg: 4.995 atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 4.995 atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } :: atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } ::sumAvg: 4.395 atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } :: atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 4.395 atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } ::sumAvg: 2.655 atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 2.655 atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 2 atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 4.145 atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 4.145 atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 4.425 atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 758 62I-HG2 G2 0.12 ambi=1 { CG2:18.5 } ::sumAvg: 4.395 atom: 767 64L-HB2 B 1.47 ambi=2 { CB:47 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } :: atom: 768 64L-HB3 B 1.43 ambi=2 { CB:47 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } ::sumAvg: 3.925 atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } ::sumAvg: 4.32 atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } ::sumAvg: 4.32 atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } :: atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } ::sumAvg: 3.055 atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } ::sumAvg: 3.885 atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } ::sumAvg: 3.885 atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } ::sumAvg: 4.435 atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } ::sumAvg: 4.435 atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } ::sumAvg: 4.575 atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } ::sumAvg: 4.575 atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } ::sumAvg: 3.55 atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } ::sumAvg: 3.55 atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 2.3 atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } ::sumAvg: 3.24 atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } :: atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } ::sumAvg: 4.85 atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } :: atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } ::sumAvg: 4.85 atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } ::sumAvg: 4.51 atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } ::sumAvg: 4.51 atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } atom: 759 62I-HD1 D1 0.34 ambi=1 { CD1:14.6 } ::sumAvg: 4.885 atom: 766 64L-HA A 4.96 ambi=1 { CA:53.5 } atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } ::sumAvg: 3.575 atom: 766 64L-HA A 4.96 ambi=1 { CA:53.5 } atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } ::sumAvg: 4.345 atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } atom: 766 64L-HA A 4.96 ambi=1 { CA:53.5 } ::sumAvg: 4.345 atom: 766 64L-HA A 4.96 ambi=1 { CA:53.5 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } ::sumAvg: 4.1 atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } atom: 766 64L-HA A 4.96 ambi=1 { CA:53.5 } ::sumAvg: 4.1 atom: 766 64L-HA A 4.96 ambi=1 { CA:53.5 } atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } ::sumAvg: 4.84 atom: 766 64L-HA A 4.96 ambi=1 { CA:53.5 } atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } :: atom: 766 64L-HA A 4.96 ambi=1 { CA:53.5 } atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } ::sumAvg: 4.445 atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } atom: 766 64L-HA A 4.96 ambi=1 { CA:53.5 } :: atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } atom: 766 64L-HA A 4.96 ambi=1 { CA:53.5 } ::sumAvg: 4.445 atom: 767 64L-HB2 B 1.47 ambi=2 { CB:47 } atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } :: atom: 768 64L-HB3 B 1.43 ambi=2 { CB:47 } atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } ::sumAvg: 4.82 atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } atom: 767 64L-HB2 B 1.47 ambi=2 { CB:47 } :: atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } atom: 768 64L-HB3 B 1.43 ambi=2 { CB:47 } ::sumAvg: 4.82 atom: 767 64L-HB2 B 1.47 ambi=2 { CB:47 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 767 64L-HB2 B 1.47 ambi=2 { CB:47 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } :: atom: 768 64L-HB3 B 1.43 ambi=2 { CB:47 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 768 64L-HB3 B 1.43 ambi=2 { CB:47 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 3.58 atom: 767 64L-HB2 B 1.47 ambi=2 { CB:47 } atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } :: atom: 768 64L-HB3 B 1.43 ambi=2 { CB:47 } atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } ::sumAvg: 4.51 atom: 767 64L-HB2 B 1.47 ambi=2 { CB:47 } atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } :: atom: 768 64L-HB3 B 1.43 ambi=2 { CB:47 } atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } ::sumAvg: 4.725 atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } atom: 767 64L-HB2 B 1.47 ambi=2 { CB:47 } :: atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } atom: 768 64L-HB3 B 1.43 ambi=2 { CB:47 } ::sumAvg: 4.725 atom: 767 64L-HB2 B 1.47 ambi=2 { CB:47 } atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } :: atom: 768 64L-HB3 B 1.43 ambi=2 { CB:47 } atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } ::sumAvg: 4.585 atom: 767 64L-HB2 B 1.47 ambi=2 { CB:47 } atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } :: atom: 767 64L-HB2 B 1.47 ambi=2 { CB:47 } atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } :: atom: 768 64L-HB3 B 1.43 ambi=2 { CB:47 } atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } :: atom: 768 64L-HB3 B 1.43 ambi=2 { CB:47 } atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } ::sumAvg: 4.96 atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } atom: 767 64L-HB2 B 1.47 ambi=2 { CB:47 } :: atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } atom: 767 64L-HB2 B 1.47 ambi=2 { CB:47 } :: atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } atom: 768 64L-HB3 B 1.43 ambi=2 { CB:47 } :: atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } atom: 768 64L-HB3 B 1.43 ambi=2 { CB:47 } ::sumAvg: 4.96 atom: 767 64L-HB2 B 1.47 ambi=2 { CB:47 } atom: 1278 109I-HG12 G1 1.06 ambi=2 { CG1:29.5 } :: atom: 767 64L-HB2 B 1.47 ambi=2 { CB:47 } atom: 1279 109I-HG13 G1 2.19 ambi=2 { CG1:29.5 } :: atom: 768 64L-HB3 B 1.43 ambi=2 { CB:47 } atom: 1279 109I-HG13 G1 2.19 ambi=2 { CG1:29.5 } ::sumAvg: 4.93 atom: 1278 109I-HG12 G1 1.06 ambi=2 { CG1:29.5 } atom: 767 64L-HB2 B 1.47 ambi=2 { CB:47 } :: atom: 1279 109I-HG13 G1 2.19 ambi=2 { CG1:29.5 } atom: 767 64L-HB2 B 1.47 ambi=2 { CB:47 } :: atom: 1279 109I-HG13 G1 2.19 ambi=2 { CG1:29.5 } atom: 768 64L-HB3 B 1.43 ambi=2 { CB:47 } ::sumAvg: 4.93 atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } ::sumAvg: 2.125 atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } ::sumAvg: 2.125 atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } ::sumAvg: 4.615 atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 4.32 atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } ::sumAvg: 4.32 atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } :: atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } ::sumAvg: 3.29 atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } ::sumAvg: 4.9 atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } ::sumAvg: 4.9 atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } ::sumAvg: 4.645 atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } ::sumAvg: 4.645 atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } :: atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } ::sumAvg: 2.775 atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } :: atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } ::sumAvg: 2.775 atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } ::sumAvg: 3.595 atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } ::sumAvg: 3.595 atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } :: atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } ::sumAvg: 4.235 atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } atom: 1276 109I-HA A 3.83 ambi=1 { CA:65.8 } ::sumAvg: 4.795 atom: 1276 109I-HA A 3.83 ambi=1 { CA:65.8 } atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } ::sumAvg: 4.795 atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } atom: 1278 109I-HG12 G1 1.06 ambi=2 { CG1:29.5 } :: atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } atom: 1279 109I-HG13 G1 2.19 ambi=2 { CG1:29.5 } ::sumAvg: 4.985 atom: 1278 109I-HG12 G1 1.06 ambi=2 { CG1:29.5 } atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } :: atom: 1279 109I-HG13 G1 2.19 ambi=2 { CG1:29.5 } atom: 769 64L-HG G 1.53 ambi=1 { CG:26.8 } ::sumAvg: 4.985 atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } :: atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } ::sumAvg: 3.825 atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } :: atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } ::sumAvg: 3.825 atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } ::sumAvg: 4.14 atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } ::sumAvg: 4.14 atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } :: atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } ::sumAvg: 4.74 atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } :: atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } ::sumAvg: 4.74 atom: 796 66V-HA A 4.41 ambi=1 { CA:58.3 } atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } :: atom: 796 66V-HA A 4.41 ambi=1 { CA:58.3 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } ::sumAvg: 4.26 atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } :: atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } ::sumAvg: 4.655 atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } :: atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } ::sumAvg: 4.655 atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 2.13 atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } ::sumAvg: 2.13 atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } :: atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } ::sumAvg: 4.4 atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } :: atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } ::sumAvg: 2.31 atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 4.495 atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } ::sumAvg: 4.495 atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } :: atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } ::sumAvg: 3.96 atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } :: atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } ::sumAvg: 3.405 atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } ::sumAvg: 4.295 atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } :: atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } ::sumAvg: 4.295 atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } :: atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } ::sumAvg: 2.825 atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } :: atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } ::sumAvg: 4.925 atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } :: atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } ::sumAvg: 4.925 atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 3.805 atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } ::sumAvg: 3.805 atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } :: atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } :: atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } :: atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } ::sumAvg: 2.495 atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } :: atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } ::sumAvg: 4.995 atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } :: atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } ::sumAvg: 4.995 atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } :: atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } ::sumAvg: 3.155 atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } ::sumAvg: 3.825 atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } :: atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } :: atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } :: atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } ::sumAvg: 4.01 atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } :: atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } :: atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } :: atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } ::sumAvg: 4.01 atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } :: atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } ::sumAvg: 4.015 atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } :: atom: 770 64L-HD1 D1 0.79 ambi=2 { CD1:27.4 } atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } :: atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } :: atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } ::sumAvg: 2.93 atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } :: atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } ::sumAvg: 4.275 atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } :: atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } atom: 771 64L-HD2 D2 1.3 ambi=2 { CD2:24.8 } ::sumAvg: 4.275 atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } :: atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } ::sumAvg: 3.28 atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } :: atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } ::sumAvg: 4.59 atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } ::sumAvg: 4.16 atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } ::sumAvg: 4.485 atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } :: atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } ::sumAvg: 3.165 atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } :: atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } ::sumAvg: 4.94 atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } atom: 778 65K-H N 8.47 ambi=1 { N:126.7 } ::sumAvg: 4.615 atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } :: atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } ::sumAvg: 4.165 atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } atom: 786 65K-HE2 E 2.86 ambi=2 { CE:42.4 } :: atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } atom: 787 65K-HE3 E 2.75 ambi=2 { CE:42.4 } ::sumAvg: 4.82 atom: 786 65K-HE2 E 2.86 ambi=2 { CE:42.4 } atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } :: atom: 787 65K-HE3 E 2.75 ambi=2 { CE:42.4 } atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } ::sumAvg: 4.82 atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } atom: 796 66V-HA A 4.41 ambi=1 { CA:58.3 } ::sumAvg: 4.48 atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } :: atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } ::sumAvg: 4.755 atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } :: atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } ::sumAvg: 4.755 atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } atom: 1068 91W-HB2 B 2.92 ambi=2 { CB:31.7 } :: atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } atom: 1069 91W-HB3 B 2.88 ambi=2 { CB:31.7 } ::sumAvg: 4.44 atom: 1068 91W-HB2 B 2.92 ambi=2 { CB:31.7 } atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } :: atom: 1069 91W-HB3 B 2.88 ambi=2 { CB:31.7 } atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } ::sumAvg: 4.44 atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } atom: 1070 91W-HD1 D1 7.47 ambi=1 { CD1:127 } ::sumAvg: 4.08 atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } ::sumAvg: 3.745 atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } :: atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } atom: 779 65K-HA A 3.76 ambi=1 { CA:55.7 } ::sumAvg: 4.805 atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } atom: 786 65K-HE2 E 2.86 ambi=2 { CE:42.4 } :: atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } atom: 787 65K-HE3 E 2.75 ambi=2 { CE:42.4 } ::sumAvg: 3 atom: 786 65K-HE2 E 2.86 ambi=2 { CE:42.4 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } :: atom: 787 65K-HE3 E 2.75 ambi=2 { CE:42.4 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } ::sumAvg: 3 atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } atom: 795 66V-H N 7.84 ambi=1 { N:116 } ::sumAvg: 3.385 atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } atom: 796 66V-HA A 4.41 ambi=1 { CA:58.3 } ::sumAvg: 4.42 atom: 796 66V-HA A 4.41 ambi=1 { CA:58.3 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } ::sumAvg: 4.42 atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } ::sumAvg: 4.555 atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } :: atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } ::sumAvg: 4.99 atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } :: atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } ::sumAvg: 4.99 atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } ::sumAvg: 4.285 atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } ::sumAvg: 4.285 atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } atom: 1070 91W-HD1 D1 7.47 ambi=1 { CD1:127 } ::sumAvg: 4.66 atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } atom: 1071 91W-HE1 E1 10.31 ambi=1 { NE1:129.6 } ::sumAvg: 4.545 atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } :: atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } ::sumAvg: 3.585 atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } :: atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } ::sumAvg: 3.585 atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } ::sumAvg: 4.145 atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } :: atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } atom: 780 65K-QB B 1.23 ambi=2 { CB:33.6 } ::sumAvg: 3.74 atom: 796 66V-HA A 4.41 ambi=1 { CA:58.3 } atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } :: atom: 796 66V-HA A 4.41 ambi=1 { CA:58.3 } atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } ::sumAvg: 3.995 atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } :: atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } ::sumAvg: 4.525 atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } :: atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } :: atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } :: atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } ::sumAvg: 4.35 atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } :: atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } :: atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } :: atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } ::sumAvg: 4.35 atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } :: atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } ::sumAvg: 4.665 atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } :: atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } ::sumAvg: 4.665 atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } atom: 1070 91W-HD1 D1 7.47 ambi=1 { CD1:127 } :: atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } atom: 1070 91W-HD1 D1 7.47 ambi=1 { CD1:127 } ::sumAvg: 4.085 atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } atom: 1071 91W-HE1 E1 10.31 ambi=1 { NE1:129.6 } :: atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } atom: 1071 91W-HE1 E1 10.31 ambi=1 { NE1:129.6 } ::sumAvg: 3.87 atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } :: atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } :: atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } :: atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } ::sumAvg: 4.66 atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } :: atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } :: atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } :: atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } ::sumAvg: 4.66 atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } :: atom: 1342 115L-HB3 B 1.44 ambi=2 { CB:43.2 } atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } :: atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } :: atom: 1342 115L-HB3 B 1.44 ambi=2 { CB:43.2 } atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } ::sumAvg: 4.72 atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } :: atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } ::sumAvg: 3.845 atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } atom: 782 65K-HG2 G 0.93 ambi=2 { CG:26.3 } :: atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } atom: 783 65K-HG3 G 0.25 ambi=2 { CG:26.3 } ::sumAvg: 4.17 atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } atom: 795 66V-H N 7.84 ambi=1 { N:116 } :: atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } atom: 795 66V-H N 7.84 ambi=1 { N:116 } ::sumAvg: 4.53 atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } atom: 796 66V-HA A 4.41 ambi=1 { CA:58.3 } :: atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } atom: 796 66V-HA A 4.41 ambi=1 { CA:58.3 } ::sumAvg: 4.74 atom: 796 66V-HA A 4.41 ambi=1 { CA:58.3 } atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } :: atom: 796 66V-HA A 4.41 ambi=1 { CA:58.3 } atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } ::sumAvg: 4.74 atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } atom: 1071 91W-HE1 E1 10.31 ambi=1 { NE1:129.6 } :: atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } atom: 1071 91W-HE1 E1 10.31 ambi=1 { NE1:129.6 } ::sumAvg: 4.535 atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } :: atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } ::sumAvg: 4.355 atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } :: atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } ::sumAvg: 4.355 atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } :: atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } :: atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } :: atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } ::sumAvg: 4.75 atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } :: atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } :: atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } :: atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } ::sumAvg: 4.75 atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } :: atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } ::sumAvg: 3.085 atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } :: atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } :: atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } ::sumAvg: 3.365 atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } atom: 1354 116T-HA A 4.27 ambi=1 { CA:60.7 } :: atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } atom: 1354 116T-HA A 4.27 ambi=1 { CA:60.7 } ::sumAvg: 4.825 atom: 1354 116T-HA A 4.27 ambi=1 { CA:60.7 } atom: 784 65K-HD2 D 1.17 ambi=2 { CD:30.6 } :: atom: 1354 116T-HA A 4.27 ambi=1 { CA:60.7 } atom: 785 65K-HD3 D 1.07 ambi=2 { CD:30.6 } ::sumAvg: 4.825 atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 786 65K-HE2 E 2.86 ambi=2 { CE:42.4 } :: atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 787 65K-HE3 E 2.75 ambi=2 { CE:42.4 } ::sumAvg: 4.86 atom: 786 65K-HE2 E 2.86 ambi=2 { CE:42.4 } atom: 1073 91W-HZ2 Z2 7.48 ambi=1 { CZ2:115 } :: atom: 787 65K-HE3 E 2.75 ambi=2 { CE:42.4 } atom: 1073 91W-HZ2 Z2 7.48 ambi=1 { CZ2:115 } ::sumAvg: 4.99 atom: 786 65K-HE2 E 2.86 ambi=2 { CE:42.4 } atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } :: atom: 786 65K-HE2 E 2.86 ambi=2 { CE:42.4 } atom: 1342 115L-HB3 B 1.44 ambi=2 { CB:43.2 } :: atom: 787 65K-HE3 E 2.75 ambi=2 { CE:42.4 } atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } :: atom: 787 65K-HE3 E 2.75 ambi=2 { CE:42.4 } atom: 1342 115L-HB3 B 1.44 ambi=2 { CB:43.2 } ::sumAvg: 3.715 atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } atom: 786 65K-HE2 E 2.86 ambi=2 { CE:42.4 } :: atom: 1342 115L-HB3 B 1.44 ambi=2 { CB:43.2 } atom: 786 65K-HE2 E 2.86 ambi=2 { CE:42.4 } :: atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } atom: 787 65K-HE3 E 2.75 ambi=2 { CE:42.4 } :: atom: 1342 115L-HB3 B 1.44 ambi=2 { CB:43.2 } atom: 787 65K-HE3 E 2.75 ambi=2 { CE:42.4 } ::sumAvg: 3.715 atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } atom: 786 65K-HE2 E 2.86 ambi=2 { CE:42.4 } :: atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } atom: 786 65K-HE2 E 2.86 ambi=2 { CE:42.4 } :: atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } atom: 787 65K-HE3 E 2.75 ambi=2 { CE:42.4 } :: atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } atom: 787 65K-HE3 E 2.75 ambi=2 { CE:42.4 } ::sumAvg: 3.74 atom: 786 65K-HE2 E 2.86 ambi=2 { CE:42.4 } atom: 1354 116T-HA A 4.27 ambi=1 { CA:60.7 } :: atom: 787 65K-HE3 E 2.75 ambi=2 { CE:42.4 } atom: 1354 116T-HA A 4.27 ambi=1 { CA:60.7 } ::sumAvg: 4.91 atom: 1354 116T-HA A 4.27 ambi=1 { CA:60.7 } atom: 786 65K-HE2 E 2.86 ambi=2 { CE:42.4 } :: atom: 1354 116T-HA A 4.27 ambi=1 { CA:60.7 } atom: 787 65K-HE3 E 2.75 ambi=2 { CE:42.4 } ::sumAvg: 4.91 atom: 786 65K-HE2 E 2.86 ambi=2 { CE:42.4 } atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } :: atom: 787 65K-HE3 E 2.75 ambi=2 { CE:42.4 } atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } ::sumAvg: 2.935 atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } atom: 795 66V-H N 7.84 ambi=1 { N:116 } ::sumAvg: 4.87 atom: 1058 90H-HA A 4.58 ambi=1 { CA:55.5 } atom: 795 66V-H N 7.84 ambi=1 { N:116 } ::sumAvg: 3.55 atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 795 66V-H N 7.84 ambi=1 { N:116 } :: atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } atom: 795 66V-H N 7.84 ambi=1 { N:116 } ::sumAvg: 4.315 atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 795 66V-H N 7.84 ambi=1 { N:116 } :: atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } atom: 795 66V-H N 7.84 ambi=1 { N:116 } ::sumAvg: 4.25 atom: 810 67Q-QG G 2.51 ambi=2 { CG:34.1 } atom: 796 66V-HA A 4.41 ambi=1 { CA:58.3 } ::sumAvg: 3.94 atom: 796 66V-HA A 4.41 ambi=1 { CA:58.3 } atom: 848 70L-HD1 D1 0.9 ambi=2 { CD1:25.2 } :: atom: 796 66V-HA A 4.41 ambi=1 { CA:58.3 } atom: 849 70L-HD2 D2 0.78 ambi=2 { CD2:22.5 } ::sumAvg: 3.735 atom: 796 66V-HA A 4.41 ambi=1 { CA:58.3 } atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } :: atom: 796 66V-HA A 4.41 ambi=1 { CA:58.3 } atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } ::sumAvg: 4.81 atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } atom: 796 66V-HA A 4.41 ambi=1 { CA:58.3 } :: atom: 1342 115L-HB3 B 1.44 ambi=2 { CB:43.2 } atom: 796 66V-HA A 4.41 ambi=1 { CA:58.3 } ::sumAvg: 4.755 atom: 1343 115L-HG G 1.77 ambi=1 { CG:26.8 } atom: 796 66V-HA A 4.41 ambi=1 { CA:58.3 } ::sumAvg: 4.62 atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } ::sumAvg: 4.7 atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } atom: 808 67Q-HB2 B 2.26 ambi=2 { CB:27.6 } ::sumAvg: 4.43 atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } atom: 810 67Q-QG G 2.51 ambi=2 { CG:34.1 } ::sumAvg: 4.765 atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } atom: 843 70L-H N 7.94 ambi=1 { N:118.7 } ::sumAvg: 4.375 atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } atom: 848 70L-HD1 D1 0.9 ambi=2 { CD1:25.2 } :: atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } atom: 849 70L-HD2 D2 0.78 ambi=2 { CD2:22.5 } ::sumAvg: 3.4 atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } atom: 857 71V-H N 7.08 ambi=1 { N:120.3 } ::sumAvg: 4.085 atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } ::sumAvg: 3.75 atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } ::sumAvg: 3.75 atom: 860 71V-HG1 G1 0.75 ambi=2 { CG1:23.4 } atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } :: atom: 861 71V-HG2 G2 0.88 ambi=2 { CG2:21.3 } atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } ::sumAvg: 4.95 atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } ::sumAvg: 4.725 atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } ::sumAvg: 4.725 atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } :: atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } ::sumAvg: 3.515 atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } ::sumAvg: 4.87 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 797 66V-HB B 1.74 ambi=1 { CB:36.4 } ::sumAvg: 4.87 atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } ::sumAvg: 4.075 atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 4.075 atom: 808 67Q-HB2 B 2.26 ambi=2 { CB:27.6 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 809 67Q-HB3 B 1.75 ambi=2 { CB:27.6 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 808 67Q-HB2 B 2.26 ambi=2 { CB:27.6 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } :: atom: 809 67Q-HB3 B 1.75 ambi=2 { CB:27.6 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 4.9 atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } :: atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 826 68P-HD3 D 3.97 ambi=2 { CD:50.9 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 826 68P-HD3 D 3.97 ambi=2 { CD:50.9 } ::sumAvg: 4.935 atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 826 68P-HD3 D 3.97 ambi=2 { CD:50.9 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } :: atom: 826 68P-HD3 D 3.97 ambi=2 { CD:50.9 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 4.935 atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 843 70L-H N 7.94 ambi=1 { N:118.7 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 843 70L-H N 7.94 ambi=1 { N:118.7 } ::sumAvg: 4.31 atom: 845 70L-HB2 B 1.71 ambi=2 { CB:42.8 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 846 70L-HB3 B 1.54 ambi=2 { CB:42.8 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 845 70L-HB2 B 1.71 ambi=2 { CB:42.8 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } :: atom: 846 70L-HB3 B 1.54 ambi=2 { CB:42.8 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 3.495 atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 848 70L-HD1 D1 0.9 ambi=2 { CD1:25.2 } ::sumAvg: 3.86 atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 859 71V-HB B 1.88 ambi=1 { CB:32 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 859 71V-HB B 1.88 ambi=1 { CB:32 } ::sumAvg: 2.815 atom: 859 71V-HB B 1.88 ambi=1 { CB:32 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 859 71V-HB B 1.88 ambi=1 { CB:32 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 2.815 atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 861 71V-HG2 G2 0.88 ambi=2 { CG2:21.3 } ::sumAvg: 2.835 atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 882 74L-H N 8.34 ambi=1 { N:124.6 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 882 74L-H N 8.34 ambi=1 { N:124.6 } ::sumAvg: 4.415 atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } :: atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } ::sumAvg: 3.025 atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } :: atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 3.025 atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 3.06 atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } ::sumAvg: 4.55 atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 4.55 atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 1057 90H-H N 7.6 ambi=1 { N:111.5 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 1057 90H-H N 7.6 ambi=1 { N:111.5 } ::sumAvg: 4.88 atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } :: atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } ::sumAvg: 4.89 atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } :: atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 4.89 atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 1066 91W-H N 7.65 ambi=1 { N:117.4 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 1066 91W-H N 7.65 ambi=1 { N:117.4 } ::sumAvg: 4.39 atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } ::sumAvg: 4.725 atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 4.725 atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } ::sumAvg: 3.19 atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 3.19 atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } ::sumAvg: 3.975 atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } :: atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } ::sumAvg: 4.65 atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } :: atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 4.65 atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } ::sumAvg: 4.05 atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 4.05 atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } :: atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } :: atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } ::sumAvg: 4.26 atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } atom: 798 66V-HG1 G1 0.68 ambi=2 { CG1:21.9 } :: atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } :: atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } atom: 799 66V-HG2 G2 0.42 ambi=2 { CG2:20.1 } ::sumAvg: 4.495 atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } atom: 806 67Q-H N 8.62 ambi=1 { N:123 } :: atom: 826 68P-HD3 D 3.97 ambi=2 { CD:50.9 } atom: 806 67Q-H N 8.62 ambi=1 { N:123 } ::sumAvg: 4.835 atom: 847 70L-HG G 1.46 ambi=1 { CG:27.3 } atom: 806 67Q-H N 8.62 ambi=1 { N:123 } ::sumAvg: 3.71 atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } atom: 812 67Q-HE21 E2 7.82 ambi=1 { NE2:112.6 } :: atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } atom: 813 67Q-HE22 E2 6.9 ambi=1 { NE2:112.6 } ::sumAvg: 4.31 atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } atom: 823 68P-QG G 1.99 ambi=2 { CG:28.1 } ::sumAvg: 4.02 atom: 823 68P-QG G 1.99 ambi=2 { CG:28.1 } atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } ::sumAvg: 4.02 atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } ::sumAvg: 2.19 atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } atom: 832 69E-H N 9.62 ambi=1 { N:116.9 } ::sumAvg: 4.07 atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } atom: 843 70L-H N 7.94 ambi=1 { N:118.7 } ::sumAvg: 4.29 atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } atom: 845 70L-HB2 B 1.71 ambi=2 { CB:42.8 } :: atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } atom: 846 70L-HB3 B 1.54 ambi=2 { CB:42.8 } ::sumAvg: 4.515 atom: 845 70L-HB2 B 1.71 ambi=2 { CB:42.8 } atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } :: atom: 846 70L-HB3 B 1.54 ambi=2 { CB:42.8 } atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } ::sumAvg: 4.515 atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } atom: 848 70L-HD1 D1 0.9 ambi=2 { CD1:25.2 } :: atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } atom: 849 70L-HD2 D2 0.78 ambi=2 { CD2:22.5 } ::sumAvg: 4.47 atom: 848 70L-HD1 D1 0.9 ambi=2 { CD1:25.2 } atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } :: atom: 849 70L-HD2 D2 0.78 ambi=2 { CD2:22.5 } atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } ::sumAvg: 4.47 atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } :: atom: 807 67Q-HA A 4.35 ambi=1 { CA:54.9 } atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } ::sumAvg: 3.795 atom: 808 67Q-HB2 B 2.26 ambi=2 { CB:27.6 } atom: 812 67Q-HE21 E2 7.82 ambi=1 { NE2:112.6 } :: atom: 808 67Q-HB2 B 2.26 ambi=2 { CB:27.6 } atom: 813 67Q-HE22 E2 6.9 ambi=1 { NE2:112.6 } :: atom: 809 67Q-HB3 B 1.75 ambi=2 { CB:27.6 } atom: 812 67Q-HE21 E2 7.82 ambi=1 { NE2:112.6 } :: atom: 809 67Q-HB3 B 1.75 ambi=2 { CB:27.6 } atom: 813 67Q-HE22 E2 6.9 ambi=1 { NE2:112.6 } ::sumAvg: 3.75 atom: 808 67Q-HB2 B 2.26 ambi=2 { CB:27.6 } atom: 820 68P-HA A 4.2 ambi=1 { CA:65.1 } :: atom: 809 67Q-HB3 B 1.75 ambi=2 { CB:27.6 } atom: 820 68P-HA A 4.2 ambi=1 { CA:65.1 } ::sumAvg: 4.865 atom: 820 68P-HA A 4.2 ambi=1 { CA:65.1 } atom: 808 67Q-HB2 B 2.26 ambi=2 { CB:27.6 } :: atom: 820 68P-HA A 4.2 ambi=1 { CA:65.1 } atom: 809 67Q-HB3 B 1.75 ambi=2 { CB:27.6 } ::sumAvg: 4.865 atom: 808 67Q-HB2 B 2.26 ambi=2 { CB:27.6 } atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } :: atom: 808 67Q-HB2 B 2.26 ambi=2 { CB:27.6 } atom: 826 68P-HD3 D 3.97 ambi=2 { CD:50.9 } :: atom: 809 67Q-HB3 B 1.75 ambi=2 { CB:27.6 } atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } :: atom: 809 67Q-HB3 B 1.75 ambi=2 { CB:27.6 } atom: 826 68P-HD3 D 3.97 ambi=2 { CD:50.9 } ::sumAvg: 2.22 atom: 836 69E-HG2 G 2.33 ambi=2 { CG:35.9 } atom: 809 67Q-HB3 B 1.75 ambi=2 { CB:27.6 } :: atom: 837 69E-HG3 G 2.26 ambi=2 { CG:35.9 } atom: 809 67Q-HB3 B 1.75 ambi=2 { CB:27.6 } ::sumAvg: 3.375 atom: 808 67Q-HB2 B 2.26 ambi=2 { CB:27.6 } atom: 843 70L-H N 7.94 ambi=1 { N:118.7 } :: atom: 809 67Q-HB3 B 1.75 ambi=2 { CB:27.6 } atom: 843 70L-H N 7.94 ambi=1 { N:118.7 } ::sumAvg: 2.52 atom: 808 67Q-HB2 B 2.26 ambi=2 { CB:27.6 } atom: 857 71V-H N 7.08 ambi=1 { N:120.3 } :: atom: 809 67Q-HB3 B 1.75 ambi=2 { CB:27.6 } atom: 857 71V-H N 7.08 ambi=1 { N:120.3 } ::sumAvg: 4.63 atom: 810 67Q-QG G 2.51 ambi=2 { CG:34.1 } atom: 832 69E-H N 9.62 ambi=1 { N:116.9 } ::sumAvg: 4.5 atom: 810 67Q-QG G 2.51 ambi=2 { CG:34.1 } atom: 843 70L-H N 7.94 ambi=1 { N:118.7 } ::sumAvg: 4.33 atom: 845 70L-HB2 B 1.71 ambi=2 { CB:42.8 } atom: 810 67Q-QG G 2.51 ambi=2 { CG:34.1 } :: atom: 846 70L-HB3 B 1.54 ambi=2 { CB:42.8 } atom: 810 67Q-QG G 2.51 ambi=2 { CG:34.1 } ::sumAvg: 3.79 atom: 810 67Q-QG G 2.51 ambi=2 { CG:34.1 } atom: 1340 115L-HA A 4.09 ambi=1 { CA:57.3 } ::sumAvg: 4.745 atom: 1340 115L-HA A 4.09 ambi=1 { CA:57.3 } atom: 810 67Q-QG G 2.51 ambi=2 { CG:34.1 } ::sumAvg: 4.745 atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } atom: 810 67Q-QG G 2.51 ambi=2 { CG:34.1 } :: atom: 1342 115L-HB3 B 1.44 ambi=2 { CB:43.2 } atom: 810 67Q-QG G 2.51 ambi=2 { CG:34.1 } ::sumAvg: 4.12 atom: 1343 115L-HG G 1.77 ambi=1 { CG:26.8 } atom: 810 67Q-QG G 2.51 ambi=2 { CG:34.1 } ::sumAvg: 3.335 atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } atom: 812 67Q-HE21 E2 7.82 ambi=1 { NE2:112.6 } :: atom: 826 68P-HD3 D 3.97 ambi=2 { CD:50.9 } atom: 812 67Q-HE21 E2 7.82 ambi=1 { NE2:112.6 } ::sumAvg: 4.955 atom: 847 70L-HG G 1.46 ambi=1 { CG:27.3 } atom: 812 67Q-HE21 E2 7.82 ambi=1 { NE2:112.6 } ::sumAvg: 4.625 atom: 1340 115L-HA A 4.09 ambi=1 { CA:57.3 } atom: 812 67Q-HE21 E2 7.82 ambi=1 { NE2:112.6 } ::sumAvg: 4.88 atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } atom: 812 67Q-HE21 E2 7.82 ambi=1 { NE2:112.6 } :: atom: 1342 115L-HB3 B 1.44 ambi=2 { CB:43.2 } atom: 812 67Q-HE21 E2 7.82 ambi=1 { NE2:112.6 } ::sumAvg: 4.445 atom: 820 68P-HA A 4.2 ambi=1 { CA:65.1 } atom: 859 71V-HB B 1.88 ambi=1 { CB:32 } ::sumAvg: 2.805 atom: 820 68P-HA A 4.2 ambi=1 { CA:65.1 } atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } ::sumAvg: 3.96 atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } atom: 820 68P-HA A 4.2 ambi=1 { CA:65.1 } ::sumAvg: 3.96 atom: 820 68P-HA A 4.2 ambi=1 { CA:65.1 } atom: 1050 89E-QG G 2.24 ambi=2 { CG:37.4 } ::sumAvg: 4.36 atom: 1050 89E-QG G 2.24 ambi=2 { CG:37.4 } atom: 820 68P-HA A 4.2 ambi=1 { CA:65.1 } ::sumAvg: 4.36 atom: 833 69E-HA A 4.19 ambi=1 { CA:58.6 } atom: 821 68P-HB2 B 1.99 ambi=2 { CB:31.7 } :: atom: 833 69E-HA A 4.19 ambi=1 { CA:58.6 } atom: 822 68P-HB3 B 1.89 ambi=2 { CB:31.7 } ::sumAvg: 4.255 atom: 822 68P-HB3 B 1.89 ambi=2 { CB:31.7 } atom: 836 69E-HG2 G 2.33 ambi=2 { CG:35.9 } ::sumAvg: 4.44 atom: 836 69E-HG2 G 2.33 ambi=2 { CG:35.9 } atom: 822 68P-HB3 B 1.89 ambi=2 { CB:31.7 } ::sumAvg: 4.44 atom: 1058 90H-HA A 4.58 ambi=1 { CA:55.5 } atom: 823 68P-QG G 1.99 ambi=2 { CG:28.1 } ::sumAvg: 4.865 atom: 823 68P-QG G 1.99 ambi=2 { CG:28.1 } atom: 1061 90H-HD1 D1 7.35 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.605 atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } atom: 832 69E-H N 9.62 ambi=1 { N:116.9 } :: atom: 826 68P-HD3 D 3.97 ambi=2 { CD:50.9 } atom: 832 69E-H N 9.62 ambi=1 { N:116.9 } ::sumAvg: 2.915 atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } atom: 843 70L-H N 7.94 ambi=1 { N:118.7 } :: atom: 826 68P-HD3 D 3.97 ambi=2 { CD:50.9 } atom: 843 70L-H N 7.94 ambi=1 { N:118.7 } ::sumAvg: 4.57 atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } atom: 1058 90H-HA A 4.58 ambi=1 { CA:55.5 } :: atom: 826 68P-HD3 D 3.97 ambi=2 { CD:50.9 } atom: 1058 90H-HA A 4.58 ambi=1 { CA:55.5 } ::sumAvg: 3.88 atom: 1058 90H-HA A 4.58 ambi=1 { CA:55.5 } atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } :: atom: 1058 90H-HA A 4.58 ambi=1 { CA:55.5 } atom: 826 68P-HD3 D 3.97 ambi=2 { CD:50.9 } ::sumAvg: 3.88 atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } :: atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } :: atom: 826 68P-HD3 D 3.97 ambi=2 { CD:50.9 } atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } :: atom: 826 68P-HD3 D 3.97 ambi=2 { CD:50.9 } atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } ::sumAvg: 4.78 atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } :: atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } :: atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 826 68P-HD3 D 3.97 ambi=2 { CD:50.9 } :: atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } atom: 826 68P-HD3 D 3.97 ambi=2 { CD:50.9 } ::sumAvg: 4.78 atom: 825 68P-HD2 D 3.91 ambi=2 { CD:50.9 } atom: 1061 90H-HD1 D1 7.35 ambi=1 {attached_atom is not_assigned} :: atom: 826 68P-HD3 D 3.97 ambi=2 { CD:50.9 } atom: 1061 90H-HD1 D1 7.35 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.02 atom: 845 70L-HB2 B 1.71 ambi=2 { CB:42.8 } atom: 832 69E-H N 9.62 ambi=1 { N:116.9 } :: atom: 846 70L-HB3 B 1.54 ambi=2 { CB:42.8 } atom: 832 69E-H N 9.62 ambi=1 { N:116.9 } ::sumAvg: 4.54 atom: 847 70L-HG G 1.46 ambi=1 { CG:27.3 } atom: 832 69E-H N 9.62 ambi=1 { N:116.9 } ::sumAvg: 4.03 atom: 860 71V-HG1 G1 0.75 ambi=2 { CG1:23.4 } atom: 832 69E-H N 9.62 ambi=1 { N:116.9 } :: atom: 861 71V-HG2 G2 0.88 ambi=2 { CG2:21.3 } atom: 832 69E-H N 9.62 ambi=1 { N:116.9 } ::sumAvg: 4.48 atom: 833 69E-HA A 4.19 ambi=1 { CA:58.6 } atom: 848 70L-HD1 D1 0.9 ambi=2 { CD1:25.2 } :: atom: 833 69E-HA A 4.19 ambi=1 { CA:58.6 } atom: 849 70L-HD2 D2 0.78 ambi=2 { CD2:22.5 } ::sumAvg: 4.925 atom: 833 69E-HA A 4.19 ambi=1 { CA:58.6 } atom: 860 71V-HG1 G1 0.75 ambi=2 { CG1:23.4 } :: atom: 833 69E-HA A 4.19 ambi=1 { CA:58.6 } atom: 861 71V-HG2 G2 0.88 ambi=2 { CG2:21.3 } ::sumAvg: 3.89 atom: 833 69E-HA A 4.19 ambi=1 { CA:58.6 } atom: 868 72G-H N 8.54 ambi=1 { N:105.3 } ::sumAvg: 4.625 atom: 844 70L-HA A 4.46 ambi=1 { CA:54.5 } atom: 834 69E-HB2 B 2.04 ambi=2 { CB:28.1 } :: atom: 844 70L-HA A 4.46 ambi=1 { CA:54.5 } atom: 835 69E-HB3 B 2 ambi=2 { CB:28.1 } ::sumAvg: 4.54 atom: 834 69E-HB2 B 2.04 ambi=2 { CB:28.1 } atom: 847 70L-HG G 1.46 ambi=1 { CG:27.3 } :: atom: 835 69E-HB3 B 2 ambi=2 { CB:28.1 } atom: 847 70L-HG G 1.46 ambi=1 { CG:27.3 } ::sumAvg: 3.75 atom: 847 70L-HG G 1.46 ambi=1 { CG:27.3 } atom: 834 69E-HB2 B 2.04 ambi=2 { CB:28.1 } :: atom: 847 70L-HG G 1.46 ambi=1 { CG:27.3 } atom: 835 69E-HB3 B 2 ambi=2 { CB:28.1 } ::sumAvg: 3.75 atom: 834 69E-HB2 B 2.04 ambi=2 { CB:28.1 } atom: 848 70L-HD1 D1 0.9 ambi=2 { CD1:25.2 } :: atom: 834 69E-HB2 B 2.04 ambi=2 { CB:28.1 } atom: 849 70L-HD2 D2 0.78 ambi=2 { CD2:22.5 } :: atom: 835 69E-HB3 B 2 ambi=2 { CB:28.1 } atom: 848 70L-HD1 D1 0.9 ambi=2 { CD1:25.2 } :: atom: 835 69E-HB3 B 2 ambi=2 { CB:28.1 } atom: 849 70L-HD2 D2 0.78 ambi=2 { CD2:22.5 } ::sumAvg: 3.87 atom: 848 70L-HD1 D1 0.9 ambi=2 { CD1:25.2 } atom: 834 69E-HB2 B 2.04 ambi=2 { CB:28.1 } :: atom: 849 70L-HD2 D2 0.78 ambi=2 { CD2:22.5 } atom: 834 69E-HB2 B 2.04 ambi=2 { CB:28.1 } :: atom: 848 70L-HD1 D1 0.9 ambi=2 { CD1:25.2 } atom: 835 69E-HB3 B 2 ambi=2 { CB:28.1 } :: atom: 849 70L-HD2 D2 0.78 ambi=2 { CD2:22.5 } atom: 835 69E-HB3 B 2 ambi=2 { CB:28.1 } ::sumAvg: 3.87 atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } atom: 843 70L-H N 7.94 ambi=1 { N:118.7 } ::sumAvg: 4.745 atom: 859 71V-HB B 1.88 ambi=1 { CB:32 } atom: 843 70L-H N 7.94 ambi=1 { N:118.7 } ::sumAvg: 4.385 atom: 844 70L-HA A 4.46 ambi=1 { CA:54.5 } atom: 847 70L-HG G 1.46 ambi=1 { CG:27.3 } ::sumAvg: 3.04 atom: 844 70L-HA A 4.46 ambi=1 { CA:54.5 } atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } ::sumAvg: 4.845 atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } atom: 844 70L-HA A 4.46 ambi=1 { CA:54.5 } ::sumAvg: 4.845 atom: 860 71V-HG1 G1 0.75 ambi=2 { CG1:23.4 } atom: 844 70L-HA A 4.46 ambi=1 { CA:54.5 } :: atom: 861 71V-HG2 G2 0.88 ambi=2 { CG2:21.3 } atom: 844 70L-HA A 4.46 ambi=1 { CA:54.5 } ::sumAvg: 4.72 atom: 844 70L-HA A 4.46 ambi=1 { CA:54.5 } atom: 868 72G-H N 8.54 ambi=1 { N:105.3 } ::sumAvg: 3.805 atom: 845 70L-HB2 B 1.71 ambi=2 { CB:42.8 } atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } :: atom: 846 70L-HB3 B 1.54 ambi=2 { CB:42.8 } atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } ::sumAvg: 4.03 atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } atom: 845 70L-HB2 B 1.71 ambi=2 { CB:42.8 } :: atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } atom: 846 70L-HB3 B 1.54 ambi=2 { CB:42.8 } ::sumAvg: 4.03 atom: 845 70L-HB2 B 1.71 ambi=2 { CB:42.8 } atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } :: atom: 846 70L-HB3 B 1.54 ambi=2 { CB:42.8 } atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } ::sumAvg: 4.27 atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } atom: 845 70L-HB2 B 1.71 ambi=2 { CB:42.8 } :: atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } atom: 846 70L-HB3 B 1.54 ambi=2 { CB:42.8 } ::sumAvg: 4.27 atom: 845 70L-HB2 B 1.71 ambi=2 { CB:42.8 } atom: 874 73S-H N 7.87 ambi=1 { N:115.7 } :: atom: 846 70L-HB3 B 1.54 ambi=2 { CB:42.8 } atom: 874 73S-H N 7.87 ambi=1 { N:115.7 } ::sumAvg: 4.69 atom: 845 70L-HB2 B 1.71 ambi=2 { CB:42.8 } atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } :: atom: 845 70L-HB2 B 1.71 ambi=2 { CB:42.8 } atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } :: atom: 846 70L-HB3 B 1.54 ambi=2 { CB:42.8 } atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } :: atom: 846 70L-HB3 B 1.54 ambi=2 { CB:42.8 } atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } ::sumAvg: 4.055 atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } atom: 845 70L-HB2 B 1.71 ambi=2 { CB:42.8 } :: atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } atom: 845 70L-HB2 B 1.71 ambi=2 { CB:42.8 } :: atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } atom: 846 70L-HB3 B 1.54 ambi=2 { CB:42.8 } :: atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } atom: 846 70L-HB3 B 1.54 ambi=2 { CB:42.8 } ::sumAvg: 4.055 atom: 847 70L-HG G 1.46 ambi=1 { CG:27.3 } atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } :: atom: 847 70L-HG G 1.46 ambi=1 { CG:27.3 } atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } ::sumAvg: 4.89 atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } atom: 847 70L-HG G 1.46 ambi=1 { CG:27.3 } :: atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } atom: 847 70L-HG G 1.46 ambi=1 { CG:27.3 } ::sumAvg: 4.89 atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } atom: 848 70L-HD1 D1 0.9 ambi=2 { CD1:25.2 } :: atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } atom: 849 70L-HD2 D2 0.78 ambi=2 { CD2:22.5 } ::sumAvg: 3.59 atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } atom: 848 70L-HD1 D1 0.9 ambi=2 { CD1:25.2 } :: atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } atom: 848 70L-HD1 D1 0.9 ambi=2 { CD1:25.2 } :: atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } atom: 849 70L-HD2 D2 0.78 ambi=2 { CD2:22.5 } :: atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } atom: 849 70L-HD2 D2 0.78 ambi=2 { CD2:22.5 } ::sumAvg: 3.965 atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } atom: 869 72G-HA2 A 3.77 ambi=2 { CA:47 } :: atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } atom: 870 72G-HA3 A 3.63 ambi=2 { CA:47 } ::sumAvg: 4.785 atom: 869 72G-HA2 A 3.77 ambi=2 { CA:47 } atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } :: atom: 870 72G-HA3 A 3.63 ambi=2 { CA:47 } atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } ::sumAvg: 4.785 atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } ::sumAvg: 4.895 atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } ::sumAvg: 4.895 atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } :: atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } ::sumAvg: 4.535 atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } :: atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } ::sumAvg: 3.75 atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } :: atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } ::sumAvg: 3.75 atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } ::sumAvg: 4.77 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 858 71V-HA A 3.21 ambi=1 { CA:67.7 } ::sumAvg: 3.18 atom: 859 71V-HB B 1.88 ambi=1 { CB:32 } atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } ::sumAvg: 3.86 atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } atom: 859 71V-HB B 1.88 ambi=1 { CB:32 } ::sumAvg: 3.86 atom: 859 71V-HB B 1.88 ambi=1 { CB:32 } atom: 1058 90H-HA A 4.58 ambi=1 { CA:55.5 } ::sumAvg: 4.81 atom: 1058 90H-HA A 4.58 ambi=1 { CA:55.5 } atom: 859 71V-HB B 1.88 ambi=1 { CB:32 } ::sumAvg: 4.81 atom: 859 71V-HB B 1.88 ambi=1 { CB:32 } atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } :: atom: 859 71V-HB B 1.88 ambi=1 { CB:32 } atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } ::sumAvg: 4.56 atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 859 71V-HB B 1.88 ambi=1 { CB:32 } :: atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } atom: 859 71V-HB B 1.88 ambi=1 { CB:32 } ::sumAvg: 4.56 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 859 71V-HB B 1.88 ambi=1 { CB:32 } ::sumAvg: 3.665 atom: 860 71V-HG1 G1 0.75 ambi=2 { CG1:23.4 } atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } :: atom: 860 71V-HG1 G1 0.75 ambi=2 { CG1:23.4 } atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } :: atom: 861 71V-HG2 G2 0.88 ambi=2 { CG2:21.3 } atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } :: atom: 861 71V-HG2 G2 0.88 ambi=2 { CG2:21.3 } atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } ::sumAvg: 4.69 atom: 860 71V-HG1 G1 0.75 ambi=2 { CG1:23.4 } atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } :: atom: 861 71V-HG2 G2 0.88 ambi=2 { CG2:21.3 } atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } ::sumAvg: 2.775 atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } atom: 860 71V-HG1 G1 0.75 ambi=2 { CG1:23.4 } :: atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } atom: 861 71V-HG2 G2 0.88 ambi=2 { CG2:21.3 } ::sumAvg: 4.745 atom: 860 71V-HG1 G1 0.75 ambi=2 { CG1:23.4 } atom: 1037 88K-QE E 3.07 ambi=2 { CE:42.4 } :: atom: 861 71V-HG2 G2 0.88 ambi=2 { CG2:21.3 } atom: 1037 88K-QE E 3.07 ambi=2 { CE:42.4 } ::sumAvg: 4.845 atom: 1037 88K-QE E 3.07 ambi=2 { CE:42.4 } atom: 860 71V-HG1 G1 0.75 ambi=2 { CG1:23.4 } :: atom: 1037 88K-QE E 3.07 ambi=2 { CE:42.4 } atom: 861 71V-HG2 G2 0.88 ambi=2 { CG2:21.3 } ::sumAvg: 4.845 atom: 860 71V-HG1 G1 0.75 ambi=2 { CG1:23.4 } atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } :: atom: 861 71V-HG2 G2 0.88 ambi=2 { CG2:21.3 } atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } ::sumAvg: 4.035 atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } atom: 860 71V-HG1 G1 0.75 ambi=2 { CG1:23.4 } :: atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } atom: 861 71V-HG2 G2 0.88 ambi=2 { CG2:21.3 } ::sumAvg: 4.035 atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } atom: 860 71V-HG1 G1 0.75 ambi=2 { CG1:23.4 } :: atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } atom: 861 71V-HG2 G2 0.88 ambi=2 { CG2:21.3 } ::sumAvg: 4.865 atom: 860 71V-HG1 G1 0.75 ambi=2 { CG1:23.4 } atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } :: atom: 861 71V-HG2 G2 0.88 ambi=2 { CG2:21.3 } atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } ::sumAvg: 4.685 atom: 860 71V-HG1 G1 0.75 ambi=2 { CG1:23.4 } atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } ::sumAvg: 2.685 atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 860 71V-HG1 G1 0.75 ambi=2 { CG1:23.4 } ::sumAvg: 2.685 atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } atom: 868 72G-H N 8.54 ambi=1 { N:105.3 } ::sumAvg: 4.685 atom: 869 72G-HA2 A 3.77 ambi=2 { CA:47 } atom: 875 73S-HA A 4.17 ambi=1 { CA:60.6 } :: atom: 870 72G-HA3 A 3.63 ambi=2 { CA:47 } atom: 875 73S-HA A 4.17 ambi=1 { CA:60.6 } ::sumAvg: 4.32 atom: 875 73S-HA A 4.17 ambi=1 { CA:60.6 } atom: 869 72G-HA2 A 3.77 ambi=2 { CA:47 } :: atom: 875 73S-HA A 4.17 ambi=1 { CA:60.6 } atom: 870 72G-HA3 A 3.63 ambi=2 { CA:47 } ::sumAvg: 4.32 atom: 869 72G-HA2 A 3.77 ambi=2 { CA:47 } atom: 915 76K-HB2 B 1.98 ambi=2 { CB:32.7 } :: atom: 869 72G-HA2 A 3.77 ambi=2 { CA:47 } atom: 916 76K-HB3 B 1.75 ambi=2 { CB:32.7 } :: atom: 870 72G-HA3 A 3.63 ambi=2 { CA:47 } atom: 915 76K-HB2 B 1.98 ambi=2 { CB:32.7 } :: atom: 870 72G-HA3 A 3.63 ambi=2 { CA:47 } atom: 916 76K-HB3 B 1.75 ambi=2 { CB:32.7 } ::sumAvg: 4.21 atom: 869 72G-HA2 A 3.77 ambi=2 { CA:47 } atom: 882 74L-H N 8.34 ambi=1 { N:124.6 } :: atom: 870 72G-HA3 A 3.63 ambi=2 { CA:47 } atom: 882 74L-H N 8.34 ambi=1 { N:124.6 } ::sumAvg: 4.695 atom: 869 72G-HA2 A 3.77 ambi=2 { CA:47 } atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } :: atom: 870 72G-HA3 A 3.63 ambi=2 { CA:47 } atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } ::sumAvg: 4.04 atom: 876 73S-QB B 3.84 ambi=2 { CB:62.7 } atom: 874 73S-H N 7.87 ambi=1 { N:115.7 } ::sumAvg: 2.395 atom: 875 73S-HA A 4.17 ambi=1 { CA:60.6 } atom: 938 77K-QE E 3.09 ambi=2 { CE:42.5 } ::sumAvg: 4.8 atom: 938 77K-QE E 3.09 ambi=2 { CE:42.5 } atom: 875 73S-HA A 4.17 ambi=1 { CA:60.6 } ::sumAvg: 4.8 atom: 914 76K-HA A 4.21 ambi=1 { CA:56.5 } atom: 919 76K-QD D 1.64 ambi=2 { CD:29.2 } ::sumAvg: 3.83 atom: 921 76K-QE E 2.91 ambi=2 { CE:42 } atom: 915 76K-HB2 B 1.98 ambi=2 { CB:32.7 } :: atom: 921 76K-QE E 2.91 ambi=2 { CE:42 } atom: 916 76K-HB3 B 1.75 ambi=2 { CB:32.7 } ::sumAvg: 3.915 atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } atom: 882 74L-H N 8.34 ambi=1 { N:124.6 } :: atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } atom: 882 74L-H N 8.34 ambi=1 { N:124.6 } ::sumAvg: 4.865 atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } atom: 883 74L-HA A 4 ambi=1 { CA:57.9 } ::sumAvg: 3.035 atom: 883 74L-HA A 4 ambi=1 { CA:57.9 } atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } ::sumAvg: 4.775 atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } atom: 883 74L-HA A 4 ambi=1 { CA:57.9 } ::sumAvg: 4.775 atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } atom: 883 74L-HA A 4 ambi=1 { CA:57.9 } ::sumAvg: 4.56 atom: 883 74L-HA A 4 ambi=1 { CA:57.9 } atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } ::sumAvg: 3.28 atom: 883 74L-HA A 4 ambi=1 { CA:57.9 } atom: 934 77K-HG2 G 1.57 ambi=2 { CG:25 } :: atom: 883 74L-HA A 4 ambi=1 { CA:57.9 } atom: 935 77K-HG3 G 1.4 ambi=2 { CG:25 } ::sumAvg: 3.22 atom: 936 77K-QD D 1.46 ambi=2 { CD:27.3 } atom: 883 74L-HA A 4 ambi=1 { CA:57.9 } ::sumAvg: 3.825 atom: 883 74L-HA A 4 ambi=1 { CA:57.9 } atom: 938 77K-QE E 3.09 ambi=2 { CE:42.5 } ::sumAvg: 3.83 atom: 938 77K-QE E 3.09 ambi=2 { CE:42.5 } atom: 883 74L-HA A 4 ambi=1 { CA:57.9 } ::sumAvg: 3.83 atom: 883 74L-HA A 4 ambi=1 { CA:57.9 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 3.805 atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } ::sumAvg: 2.59 atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } :: atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } :: atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } :: atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } ::sumAvg: 2.165 atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } atom: 897 75R-HA A 3.75 ambi=1 { CA:57.8 } :: atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } atom: 897 75R-HA A 3.75 ambi=1 { CA:57.8 } ::sumAvg: 4.605 atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } :: atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } ::sumAvg: 4.89 atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } ::sumAvg: 4.97 atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } ::sumAvg: 4.97 atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } :: atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 3.335 atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } :: atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } ::sumAvg: 3.99 atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } ::sumAvg: 4.79 atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } ::sumAvg: 4.79 atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } :: atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } ::sumAvg: 4.325 atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } :: atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } ::sumAvg: 4.325 atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } :: atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } ::sumAvg: 3.43 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } :: atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } ::sumAvg: 4.48 atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } :: atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } :: atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } :: atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } ::sumAvg: 4.995 atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } :: atom: 884 74L-HB2 B 1.81 ambi=2 { CB:41.7 } atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } :: atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } :: atom: 885 74L-HB3 B 1.32 ambi=2 { CB:41.7 } atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } ::sumAvg: 3.255 atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } atom: 897 75R-HA A 3.75 ambi=1 { CA:57.8 } ::sumAvg: 4.645 atom: 897 75R-HA A 3.75 ambi=1 { CA:57.8 } atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } ::sumAvg: 4.645 atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 2.885 atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } ::sumAvg: 2.885 atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } :: atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } ::sumAvg: 4.57 atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } :: atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } ::sumAvg: 4.57 atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } ::sumAvg: 3.225 atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } ::sumAvg: 3.225 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } ::sumAvg: 4.985 atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } :: atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } ::sumAvg: 4.45 atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } :: atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } ::sumAvg: 3.485 atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } :: atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } atom: 886 74L-HG G 1.77 ambi=1 { CG:27 } ::sumAvg: 3.485 atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } atom: 897 75R-HA A 3.75 ambi=1 { CA:57.8 } :: atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } atom: 897 75R-HA A 3.75 ambi=1 { CA:57.8 } ::sumAvg: 3.78 atom: 897 75R-HA A 3.75 ambi=1 { CA:57.8 } atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } :: atom: 897 75R-HA A 3.75 ambi=1 { CA:57.8 } atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } ::sumAvg: 3.78 atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } atom: 900 75R-HG2 G 1.42 ambi=2 { CG:27.9 } :: atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } atom: 901 75R-HG3 G 1.81 ambi=2 { CG:27.9 } :: atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } atom: 900 75R-HG2 G 1.42 ambi=2 { CG:27.9 } :: atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } atom: 901 75R-HG3 G 1.81 ambi=2 { CG:27.9 } ::sumAvg: 4.105 atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } :: atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } ::sumAvg: 4.23 atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } :: atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } ::sumAvg: 4.23 atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } :: atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } ::sumAvg: 4.66 atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } :: atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } ::sumAvg: 4.88 atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } :: atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } ::sumAvg: 4.425 atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } :: atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } ::sumAvg: 4.635 atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } atom: 1099 93T-H N 8.57 ambi=1 { N:117.6 } :: atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } atom: 1099 93T-H N 8.57 ambi=1 { N:117.6 } ::sumAvg: 4.81 atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } :: atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } ::sumAvg: 4.965 atom: 1262 108L-HA A 4.18 ambi=1 { CA:57.9 } atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } :: atom: 1262 108L-HA A 4.18 ambi=1 { CA:57.9 } atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } ::sumAvg: 4.11 atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } :: atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } ::sumAvg: 4.68 atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } :: atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } atom: 887 74L-HD1 D1 0.78 ambi=2 { CD1:26.8 } :: atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } :: atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } atom: 888 74L-HD2 D2 0.79 ambi=2 { CD2:22.8 } ::sumAvg: 4.635 atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 896 75R-H N 7.85 ambi=1 { N:113.3 } ::sumAvg: 4.065 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 896 75R-H N 7.85 ambi=1 { N:113.3 } ::sumAvg: 4.35 atom: 914 76K-HA A 4.21 ambi=1 { CA:56.5 } atom: 897 75R-HA A 3.75 ambi=1 { CA:57.8 } ::sumAvg: 4.705 atom: 897 75R-HA A 3.75 ambi=1 { CA:57.8 } atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } ::sumAvg: 4.235 atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } atom: 897 75R-HA A 3.75 ambi=1 { CA:57.8 } ::sumAvg: 4.235 atom: 897 75R-HA A 3.75 ambi=1 { CA:57.8 } atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } ::sumAvg: 4.845 atom: 897 75R-HA A 3.75 ambi=1 { CA:57.8 } atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } ::sumAvg: 4.45 atom: 897 75R-HA A 3.75 ambi=1 { CA:57.8 } atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } ::sumAvg: 4.92 atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } atom: 897 75R-HA A 3.75 ambi=1 { CA:57.8 } ::sumAvg: 4.92 atom: 897 75R-HA A 3.75 ambi=1 { CA:57.8 } atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } ::sumAvg: 3.41 atom: 897 75R-HA A 3.75 ambi=1 { CA:57.8 } atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } ::sumAvg: 4.505 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 897 75R-HA A 3.75 ambi=1 { CA:57.8 } ::sumAvg: 4.505 atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } atom: 914 76K-HA A 4.21 ambi=1 { CA:56.5 } :: atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } atom: 914 76K-HA A 4.21 ambi=1 { CA:56.5 } ::sumAvg: 4.255 atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } :: atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } ::sumAvg: 2.36 atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } :: atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } ::sumAvg: 3.625 atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } atom: 913 76K-H N 7.1 ambi=1 { N:116.6 } :: atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } atom: 913 76K-H N 7.1 ambi=1 { N:116.6 } ::sumAvg: 3.08 atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } :: atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 4.37 atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } :: atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } ::sumAvg: 4.37 atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } atom: 998 82P-HD2 D 3.98 ambi=2 { CD:51.1 } :: atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } atom: 999 82P-HD3 D 3.9 ambi=2 { CD:51.1 } :: atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } atom: 998 82P-HD2 D 3.98 ambi=2 { CD:51.1 } :: atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } atom: 999 82P-HD3 D 3.9 ambi=2 { CD:51.1 } ::sumAvg: 4.845 atom: 998 82P-HD2 D 3.98 ambi=2 { CD:51.1 } atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } :: atom: 999 82P-HD3 D 3.9 ambi=2 { CD:51.1 } atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } :: atom: 998 82P-HD2 D 3.98 ambi=2 { CD:51.1 } atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } :: atom: 999 82P-HD3 D 3.9 ambi=2 { CD:51.1 } atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } ::sumAvg: 4.845 atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } :: atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } :: atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } :: atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } ::sumAvg: 4.87 atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } :: atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } :: atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } :: atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } ::sumAvg: 4.87 atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } :: atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } ::sumAvg: 4.185 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 898 75R-HB2 B 1.89 ambi=2 { CB:29.5 } :: atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 899 75R-HB3 B 1.83 ambi=2 { CB:29.5 } ::sumAvg: 3.955 atom: 900 75R-HG2 G 1.42 ambi=2 { CG:27.9 } atom: 913 76K-H N 7.1 ambi=1 { N:116.6 } :: atom: 901 75R-HG3 G 1.81 ambi=2 { CG:27.9 } atom: 913 76K-H N 7.1 ambi=1 { N:116.6 } ::sumAvg: 4.425 atom: 900 75R-HG2 G 1.42 ambi=2 { CG:27.9 } atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } ::sumAvg: 4.565 atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } atom: 900 75R-HG2 G 1.42 ambi=2 { CG:27.9 } ::sumAvg: 4.565 atom: 900 75R-HG2 G 1.42 ambi=2 { CG:27.9 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } :: atom: 901 75R-HG3 G 1.81 ambi=2 { CG:27.9 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 3.125 atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } atom: 900 75R-HG2 G 1.42 ambi=2 { CG:27.9 } :: atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } atom: 901 75R-HG3 G 1.81 ambi=2 { CG:27.9 } ::sumAvg: 4.19 atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } atom: 900 75R-HG2 G 1.42 ambi=2 { CG:27.9 } :: atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } atom: 901 75R-HG3 G 1.81 ambi=2 { CG:27.9 } ::sumAvg: 3.495 atom: 900 75R-HG2 G 1.42 ambi=2 { CG:27.9 } atom: 994 82P-HB2 B 2.31 ambi=2 { CB:32 } :: atom: 900 75R-HG2 G 1.42 ambi=2 { CG:27.9 } atom: 995 82P-HB3 B 1.92 ambi=2 { CB:32 } :: atom: 901 75R-HG3 G 1.81 ambi=2 { CG:27.9 } atom: 994 82P-HB2 B 2.31 ambi=2 { CB:32 } ::sumAvg: 3.91 atom: 994 82P-HB2 B 2.31 ambi=2 { CB:32 } atom: 900 75R-HG2 G 1.42 ambi=2 { CG:27.9 } :: atom: 995 82P-HB3 B 1.92 ambi=2 { CB:32 } atom: 900 75R-HG2 G 1.42 ambi=2 { CG:27.9 } :: atom: 994 82P-HB2 B 2.31 ambi=2 { CB:32 } atom: 901 75R-HG3 G 1.81 ambi=2 { CG:27.9 } ::sumAvg: 3.91 atom: 900 75R-HG2 G 1.42 ambi=2 { CG:27.9 } atom: 996 82P-HG2 G 1.97 ambi=2 { CG:28.3 } :: atom: 900 75R-HG2 G 1.42 ambi=2 { CG:27.9 } atom: 997 82P-HG3 G 2.25 ambi=2 { CG:28.3 } :: atom: 901 75R-HG3 G 1.81 ambi=2 { CG:27.9 } atom: 997 82P-HG3 G 2.25 ambi=2 { CG:28.3 } ::sumAvg: 3.98 atom: 996 82P-HG2 G 1.97 ambi=2 { CG:28.3 } atom: 900 75R-HG2 G 1.42 ambi=2 { CG:27.9 } :: atom: 997 82P-HG3 G 2.25 ambi=2 { CG:28.3 } atom: 900 75R-HG2 G 1.42 ambi=2 { CG:27.9 } :: atom: 997 82P-HG3 G 2.25 ambi=2 { CG:28.3 } atom: 901 75R-HG3 G 1.81 ambi=2 { CG:27.9 } ::sumAvg: 3.98 atom: 901 75R-HG3 G 1.81 ambi=2 { CG:27.9 } atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } :: atom: 901 75R-HG3 G 1.81 ambi=2 { CG:27.9 } atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } ::sumAvg: 4.345 atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 901 75R-HG3 G 1.81 ambi=2 { CG:27.9 } :: atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } atom: 901 75R-HG3 G 1.81 ambi=2 { CG:27.9 } ::sumAvg: 4.345 atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 4.425 atom: 994 82P-HB2 B 2.31 ambi=2 { CB:32 } atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } :: atom: 995 82P-HB3 B 1.92 ambi=2 { CB:32 } atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } ::sumAvg: 3.235 atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } atom: 998 82P-HD2 D 3.98 ambi=2 { CD:51.1 } :: atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } atom: 999 82P-HD3 D 3.9 ambi=2 { CD:51.1 } ::sumAvg: 4.19 atom: 998 82P-HD2 D 3.98 ambi=2 { CD:51.1 } atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } :: atom: 999 82P-HD3 D 3.9 ambi=2 { CD:51.1 } atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } ::sumAvg: 4.19 atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } :: atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } ::sumAvg: 4.3 atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } :: atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } ::sumAvg: 4.3 atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } ::sumAvg: 3.69 atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } ::sumAvg: 3.09 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 902 75R-QD D 3.11 ambi=2 { CD:43.5 } ::sumAvg: 3.09 atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } ::sumAvg: 4.06 atom: 994 82P-HB2 B 2.31 ambi=2 { CB:32 } atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } :: atom: 995 82P-HB3 B 1.92 ambi=2 { CB:32 } atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } ::sumAvg: 3.375 atom: 996 82P-HG2 G 1.97 ambi=2 { CG:28.3 } atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } :: atom: 997 82P-HG3 G 2.25 ambi=2 { CG:28.3 } atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } ::sumAvg: 2.685 atom: 998 82P-HD2 D 3.98 ambi=2 { CD:51.1 } atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } :: atom: 999 82P-HD3 D 3.9 ambi=2 { CD:51.1 } atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } ::sumAvg: 3.4 atom: 1037 88K-QE E 3.07 ambi=2 { CE:42.4 } atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } ::sumAvg: 4.53 atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } ::sumAvg: 4.68 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 904 75R-HE E 7.25 ambi=1 { NE:82.9 } ::sumAvg: 3.925 atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } atom: 913 76K-H N 7.1 ambi=1 { N:116.6 } ::sumAvg: 4.5 atom: 931 77K-HA A 4.47 ambi=1 { CA:54.5 } atom: 917 76K-HG2 G 1.41 ambi=2 { CG:25.2 } :: atom: 931 77K-HA A 4.47 ambi=1 { CA:54.5 } atom: 918 76K-HG3 G 1.61 ambi=2 { CG:25.2 } ::sumAvg: 3.565 atom: 951 78P-QD D 3.93 ambi=2 { CD:51 } atom: 917 76K-HG2 G 1.41 ambi=2 { CG:25.2 } :: atom: 951 78P-QD D 3.93 ambi=2 { CD:51 } atom: 918 76K-HG3 G 1.61 ambi=2 { CG:25.2 } ::sumAvg: 4.995 atom: 921 76K-QE E 2.91 ambi=2 { CE:42 } atom: 931 77K-HA A 4.47 ambi=1 { CA:54.5 } ::sumAvg: 4.135 atom: 931 77K-HA A 4.47 ambi=1 { CA:54.5 } atom: 921 76K-QE E 2.91 ambi=2 { CE:42 } ::sumAvg: 4.135 atom: 921 76K-QE E 2.91 ambi=2 { CE:42 } atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } ::sumAvg: 4.615 atom: 921 76K-QE E 2.91 ambi=2 { CE:42 } atom: 936 77K-QD D 1.46 ambi=2 { CD:27.3 } ::sumAvg: 4.24 atom: 936 77K-QD D 1.46 ambi=2 { CD:27.3 } atom: 921 76K-QE E 2.91 ambi=2 { CE:42 } ::sumAvg: 4.24 atom: 931 77K-HA A 4.47 ambi=1 { CA:54.5 } atom: 919 76K-QD D 1.64 ambi=2 { CD:29.2 } ::sumAvg: 3.845 atom: 938 77K-QE E 3.09 ambi=2 { CE:42.5 } atom: 919 76K-QD D 1.64 ambi=2 { CD:29.2 } ::sumAvg: 4.64 atom: 919 76K-QD D 1.64 ambi=2 { CD:29.2 } atom: 951 78P-QD D 3.93 ambi=2 { CD:51 } ::sumAvg: 4.685 atom: 951 78P-QD D 3.93 ambi=2 { CD:51 } atom: 919 76K-QD D 1.64 ambi=2 { CD:29.2 } ::sumAvg: 4.685 atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } ::sumAvg: 2.3 atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } ::sumAvg: 4.235 atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } ::sumAvg: 4.885 atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } ::sumAvg: 4.885 atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } ::sumAvg: 4.335 atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } ::sumAvg: 4.335 atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } :: atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } ::sumAvg: 4.645 atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } :: atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } ::sumAvg: 4.645 atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } :: atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } ::sumAvg: 4.98 atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 2.165 atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } ::sumAvg: 1.89 atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } ::sumAvg: 4.35 atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } ::sumAvg: 4.26 atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } ::sumAvg: 3.655 atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } ::sumAvg: 3.655 atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } :: atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } ::sumAvg: 2.925 atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } ::sumAvg: 4.275 atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } atom: 930 77K-H N 7.83 ambi=1 { N:122.9 } ::sumAvg: 3.895 atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } atom: 930 77K-H N 7.83 ambi=1 { N:122.9 } ::sumAvg: 4.375 atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } atom: 930 77K-H N 7.83 ambi=1 { N:122.9 } ::sumAvg: 2.41 atom: 936 77K-QD D 1.46 ambi=2 { CD:27.3 } atom: 930 77K-H N 7.83 ambi=1 { N:122.9 } ::sumAvg: 3.845 atom: 938 77K-QE E 3.09 ambi=2 { CE:42.5 } atom: 930 77K-H N 7.83 ambi=1 { N:122.9 } ::sumAvg: 4.585 atom: 951 78P-QD D 3.93 ambi=2 { CD:51 } atom: 930 77K-H N 7.83 ambi=1 { N:122.9 } ::sumAvg: 4.365 atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 930 77K-H N 7.83 ambi=1 { N:122.9 } ::sumAvg: 4.565 atom: 931 77K-HA A 4.47 ambi=1 { CA:54.5 } atom: 936 77K-QD D 1.46 ambi=2 { CD:27.3 } ::sumAvg: 2.99 atom: 931 77K-HA A 4.47 ambi=1 { CA:54.5 } atom: 938 77K-QE E 3.09 ambi=2 { CE:42.5 } ::sumAvg: 4.405 atom: 938 77K-QE E 3.09 ambi=2 { CE:42.5 } atom: 931 77K-HA A 4.47 ambi=1 { CA:54.5 } ::sumAvg: 4.405 atom: 931 77K-HA A 4.47 ambi=1 { CA:54.5 } atom: 949 78P-QG G 2.06 ambi=2 { CG:28.1 } ::sumAvg: 3.885 atom: 949 78P-QG G 2.06 ambi=2 { CG:28.1 } atom: 931 77K-HA A 4.47 ambi=1 { CA:54.5 } ::sumAvg: 3.885 atom: 931 77K-HA A 4.47 ambi=1 { CA:54.5 } atom: 951 78P-QD D 3.93 ambi=2 { CD:51 } ::sumAvg: 1.955 atom: 951 78P-QD D 3.93 ambi=2 { CD:51 } atom: 931 77K-HA A 4.47 ambi=1 { CA:54.5 } ::sumAvg: 1.955 atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } atom: 931 77K-HA A 4.47 ambi=1 { CA:54.5 } ::sumAvg: 4.93 atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } atom: 938 77K-QE E 3.09 ambi=2 { CE:42.5 } ::sumAvg: 3.585 atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } atom: 951 78P-QD D 3.93 ambi=2 { CD:51 } ::sumAvg: 2.655 atom: 951 78P-QD D 3.93 ambi=2 { CD:51 } atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } ::sumAvg: 2.655 atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } atom: 964 80I-H N 7.3 ambi=1 { N:119.2 } ::sumAvg: 4.32 atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 4.055 atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } ::sumAvg: 4.055 atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } ::sumAvg: 2.59 atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } :: atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } ::sumAvg: 4.045 atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } :: atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } ::sumAvg: 3.965 atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } :: atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } atom: 932 77K-QB B 1.72 ambi=2 { CB:31.8 } ::sumAvg: 3.965 atom: 951 78P-QD D 3.93 ambi=2 { CD:51 } atom: 934 77K-HG2 G 1.57 ambi=2 { CG:25 } :: atom: 951 78P-QD D 3.93 ambi=2 { CD:51 } atom: 935 77K-HG3 G 1.4 ambi=2 { CG:25 } ::sumAvg: 3.795 atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } atom: 934 77K-HG2 G 1.57 ambi=2 { CG:25 } :: atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } atom: 935 77K-HG3 G 1.4 ambi=2 { CG:25 } ::sumAvg: 4.325 atom: 936 77K-QD D 1.46 ambi=2 { CD:27.3 } atom: 938 77K-QE E 3.09 ambi=2 { CE:42.5 } ::sumAvg: 2.06 atom: 936 77K-QD D 1.46 ambi=2 { CD:27.3 } atom: 951 78P-QD D 3.93 ambi=2 { CD:51 } ::sumAvg: 3.6 atom: 951 78P-QD D 3.93 ambi=2 { CD:51 } atom: 936 77K-QD D 1.46 ambi=2 { CD:27.3 } ::sumAvg: 3.6 atom: 936 77K-QD D 1.46 ambi=2 { CD:27.3 } atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } ::sumAvg: 4.03 atom: 938 77K-QE E 3.09 ambi=2 { CE:42.5 } atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } :: atom: 938 77K-QE E 3.09 ambi=2 { CE:42.5 } atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } ::sumAvg: 4.065 atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } atom: 938 77K-QE E 3.09 ambi=2 { CE:42.5 } :: atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } atom: 938 77K-QE E 3.09 ambi=2 { CE:42.5 } ::sumAvg: 4.065 atom: 946 78P-HA A 4.19 ambi=1 { CA:63.7 } atom: 949 78P-QG G 2.06 ambi=2 { CG:28.1 } ::sumAvg: 3.18 atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } atom: 946 78P-HA A 4.19 ambi=1 { CA:63.7 } ::sumAvg: 4.505 atom: 946 78P-HA A 4.19 ambi=1 { CA:63.7 } atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } ::sumAvg: 4.97 atom: 947 78P-HB2 B 2.26 ambi=2 { CB:31.9 } atom: 951 78P-QD D 3.93 ambi=2 { CD:51 } :: atom: 948 78P-HB3 B 1.71 ambi=2 { CB:31.9 } atom: 951 78P-QD D 3.93 ambi=2 { CD:51 } ::sumAvg: 2.85 atom: 949 78P-QG G 2.06 ambi=2 { CG:28.1 } atom: 958 79G-H N 8.29 ambi=1 { N:109.3 } ::sumAvg: 4.585 atom: 951 78P-QD D 3.93 ambi=2 { CD:51 } atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } ::sumAvg: 4.715 atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } atom: 951 78P-QD D 3.93 ambi=2 { CD:51 } ::sumAvg: 4.715 atom: 1165 99P-QG G 1.94 ambi=2 { CG:26.9 } atom: 951 78P-QD D 3.93 ambi=2 { CD:51 } ::sumAvg: 4.7 atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } atom: 958 79G-H N 8.29 ambi=1 { N:109.3 } ::sumAvg: 3.61 atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } atom: 958 79G-H N 8.29 ambi=1 { N:109.3 } :: atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } atom: 958 79G-H N 8.29 ambi=1 { N:109.3 } ::sumAvg: 4.35 atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } :: atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } ::sumAvg: 4.355 atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } :: atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } ::sumAvg: 4.355 atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } :: atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } ::sumAvg: 4.51 atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } :: atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } ::sumAvg: 4.205 atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } :: atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } ::sumAvg: 4.205 atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } :: atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } ::sumAvg: 4.26 atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } :: atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } ::sumAvg: 4.455 atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } :: atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } :: atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } :: atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } ::sumAvg: 3.305 atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } :: atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } ::sumAvg: 3.185 atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } :: atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } ::sumAvg: 3.185 atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } atom: 1163 99P-HB2 B 2.24 ambi=2 { CB:32.4 } :: atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } atom: 1164 99P-HB3 B 1.86 ambi=2 { CB:32.4 } :: atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } atom: 1163 99P-HB2 B 2.24 ambi=2 { CB:32.4 } :: atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } atom: 1164 99P-HB3 B 1.86 ambi=2 { CB:32.4 } ::sumAvg: 4.995 atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } ::sumAvg: 2.3 atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } ::sumAvg: 2.3 atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } atom: 1174 100L-H N 7.75 ambi=1 { N:120.3 } :: atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } atom: 1174 100L-H N 7.75 ambi=1 { N:120.3 } ::sumAvg: 3.435 atom: 1176 100L-HB2 B 1.45 ambi=2 { CB:42.6 } atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } :: atom: 1177 100L-HB3 B 1.7 ambi=2 { CB:42.6 } atom: 959 79G-HA2 A 4.35 ambi=2 { CA:45.5 } :: atom: 1176 100L-HB2 B 1.45 ambi=2 { CB:42.6 } atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } :: atom: 1177 100L-HB3 B 1.7 ambi=2 { CB:42.6 } atom: 960 79G-HA3 A 3.59 ambi=2 { CA:45.5 } ::sumAvg: 4.165 atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 964 80I-H N 7.3 ambi=1 { N:119.2 } ::sumAvg: 2.97 atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } atom: 964 80I-H N 7.3 ambi=1 { N:119.2 } :: atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } atom: 964 80I-H N 7.3 ambi=1 { N:119.2 } ::sumAvg: 4.87 atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 966 80I-HB B 2.03 ambi=1 { CB:37 } ::sumAvg: 3.02 atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 967 80I-QG1 G1 1.49 ambi=2 { CG1:27.9 } ::sumAvg: 2.61 atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 2.38 atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } ::sumAvg: 2.935 atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } ::sumAvg: 2.175 atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } :: atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } ::sumAvg: 4.56 atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } ::sumAvg: 3.54 atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } ::sumAvg: 4.725 atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } ::sumAvg: 4.19 atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } :: atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } ::sumAvg: 3.225 atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } ::sumAvg: 3.05 atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } :: atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } ::sumAvg: 4.59 atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } :: atom: 965 80I-HA A 4.77 ambi=1 { CA:60.5 } atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } ::sumAvg: 3.845 atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } ::sumAvg: 2.65 atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } ::sumAvg: 3.74 atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 3.74 atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } :: atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } ::sumAvg: 4.765 atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } :: atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 4.765 atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } ::sumAvg: 4.71 atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } ::sumAvg: 4.545 atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 4.545 atom: 998 82P-HD2 D 3.98 ambi=2 { CD:51.1 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } :: atom: 999 82P-HD3 D 3.9 ambi=2 { CD:51.1 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 4.58 atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } ::sumAvg: 4.91 atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 4.91 atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } ::sumAvg: 3.54 atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 3.54 atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } :: atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } ::sumAvg: 4.495 atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } :: atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 4.495 atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 1099 93T-H N 8.57 ambi=1 { N:117.6 } ::sumAvg: 4 atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } ::sumAvg: 3.04 atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 3.04 atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } ::sumAvg: 4.9 atom: 969 80I-HG2 G2 0.68 ambi=1 { CG2:18.8 } atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } ::sumAvg: 4.555 atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } ::sumAvg: 4.47 atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } ::sumAvg: 3.625 atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } ::sumAvg: 4.355 atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } :: atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } atom: 1221 104E-HB3 B 1.85 ambi=2 { CB:29.1 } ::sumAvg: 4.745 atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } :: atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } ::sumAvg: 4.665 atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } ::sumAvg: 4.53 atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } atom: 970 80I-HD1 D1 0.76 ambi=1 { CD1:13.2 } ::sumAvg: 4.53 atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } ::sumAvg: 2.99 atom: 998 82P-HD2 D 3.98 ambi=2 { CD:51.1 } atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } :: atom: 999 82P-HD3 D 3.9 ambi=2 { CD:51.1 } atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } ::sumAvg: 4.765 atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } ::sumAvg: 3.37 atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } ::sumAvg: 3.965 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } ::sumAvg: 4.375 atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } ::sumAvg: 3.09 atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } :: atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } ::sumAvg: 4.16 atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } :: atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } atom: 978 81Y-H N 9.49 ambi=1 { N:126.1 } ::sumAvg: 4.845 atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } :: atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } ::sumAvg: 2.44 atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } ::sumAvg: 2.855 atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } ::sumAvg: 4.59 atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } atom: 996 82P-HG2 G 1.97 ambi=2 { CG:28.3 } :: atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } atom: 997 82P-HG3 G 2.25 ambi=2 { CG:28.3 } ::sumAvg: 4.29 atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } atom: 998 82P-HD2 D 3.98 ambi=2 { CD:51.1 } :: atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } atom: 999 82P-HD3 D 3.9 ambi=2 { CD:51.1 } ::sumAvg: 2.075 atom: 979 81Y-HA A 4.84 ambi=1 { CA:56.8 } atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } ::sumAvg: 4.25 atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } :: atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } ::sumAvg: 4.43 atom: 996 82P-HG2 G 1.97 ambi=2 { CG:28.3 } atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } :: atom: 997 82P-HG3 G 2.25 ambi=2 { CG:28.3 } atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } ::sumAvg: 4.24 atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } :: atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } ::sumAvg: 4.8 atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } atom: 1099 93T-H N 8.57 ambi=1 { N:117.6 } :: atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } atom: 1099 93T-H N 8.57 ambi=1 { N:117.6 } ::sumAvg: 4.55 atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } :: atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } ::sumAvg: 3.445 atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } :: atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 3.885 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } :: atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } ::sumAvg: 3.885 atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } :: atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } ::sumAvg: 4.98 atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } :: atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } ::sumAvg: 4.98 atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } :: atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } :: atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } ::sumAvg: 4.755 atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } :: atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } atom: 980 81Y-HB2 B 3.19 ambi=2 { CB:39.8 } :: atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } atom: 981 81Y-HB3 B 2.26 ambi=2 { CB:39.8 } ::sumAvg: 4.755 atom: 996 82P-HG2 G 1.97 ambi=2 { CG:28.3 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } :: atom: 997 82P-HG3 G 2.25 ambi=2 { CG:28.3 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } ::sumAvg: 4.93 atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } ::sumAvg: 4.675 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } ::sumAvg: 4.645 atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } ::sumAvg: 4.17 atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } ::sumAvg: 4.57 atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } :: atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } ::sumAvg: 2.78 atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } :: atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } atom: 982 81Y-QD D 7.05 ambi=3 { CD1:133.2 } ::sumAvg: 3.8 atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } ::sumAvg: 4.945 atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } ::sumAvg: 4.47 atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } :: atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } ::sumAvg: 4.43 atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } atom: 984 81Y-QE E 6.67 ambi=3 { CE1:118 } ::sumAvg: 4.345 atom: 994 82P-HB2 B 2.31 ambi=2 { CB:32 } atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } :: atom: 995 82P-HB3 B 1.92 ambi=2 { CB:32 } atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } ::sumAvg: 2.305 atom: 998 82P-HD2 D 3.98 ambi=2 { CD:51.1 } atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } :: atom: 999 82P-HD3 D 3.9 ambi=2 { CD:51.1 } atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } ::sumAvg: 3.495 atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } atom: 1004 83A-HA A 4.14 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.35 atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.07 atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } atom: 1033 88K-HG2 G 1.63 ambi=2 { CG:25.6 } :: atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } atom: 1034 88K-HG3 G 1.4 ambi=2 { CG:25.6 } ::sumAvg: 3.79 atom: 1033 88K-HG2 G 1.63 ambi=2 { CG:25.6 } atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } :: atom: 1034 88K-HG3 G 1.4 ambi=2 { CG:25.6 } atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } ::sumAvg: 3.79 atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } atom: 1035 88K-HD2 D 1.62 ambi=2 { CD:29.2 } :: atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } atom: 1036 88K-HD3 D 1.65 ambi=2 { CD:29.2 } ::sumAvg: 4.795 atom: 1035 88K-HD2 D 1.62 ambi=2 { CD:29.2 } atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } :: atom: 1036 88K-HD3 D 1.65 ambi=2 { CD:29.2 } atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } ::sumAvg: 4.795 atom: 1037 88K-QE E 3.07 ambi=2 { CE:42.4 } atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } ::sumAvg: 4.535 atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } :: atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } ::sumAvg: 4.535 atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } ::sumAvg: 3.055 atom: 993 82P-HA A 4.61 ambi=1 { CA:62.3 } atom: 1099 93T-H N 8.57 ambi=1 { N:117.6 } ::sumAvg: 3.51 atom: 994 82P-HB2 B 2.31 ambi=2 { CB:32 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} :: atom: 995 82P-HB3 B 1.92 ambi=2 { CB:32 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.595 atom: 994 82P-HB2 B 2.31 ambi=2 { CB:32 } atom: 1032 88K-HB3 B 1.91 ambi=2 { CB:33 } ::sumAvg: 4.93 atom: 1032 88K-HB3 B 1.91 ambi=2 { CB:33 } atom: 994 82P-HB2 B 2.31 ambi=2 { CB:32 } ::sumAvg: 4.93 atom: 994 82P-HB2 B 2.31 ambi=2 { CB:32 } atom: 1033 88K-HG2 G 1.63 ambi=2 { CG:25.6 } :: atom: 994 82P-HB2 B 2.31 ambi=2 { CB:32 } atom: 1034 88K-HG3 G 1.4 ambi=2 { CG:25.6 } :: atom: 995 82P-HB3 B 1.92 ambi=2 { CB:32 } atom: 1034 88K-HG3 G 1.4 ambi=2 { CG:25.6 } ::sumAvg: 3.07 atom: 994 82P-HB2 B 2.31 ambi=2 { CB:32 } atom: 1035 88K-HD2 D 1.62 ambi=2 { CD:29.2 } :: atom: 994 82P-HB2 B 2.31 ambi=2 { CB:32 } atom: 1036 88K-HD3 D 1.65 ambi=2 { CD:29.2 } ::sumAvg: 3.205 atom: 1035 88K-HD2 D 1.62 ambi=2 { CD:29.2 } atom: 994 82P-HB2 B 2.31 ambi=2 { CB:32 } :: atom: 1036 88K-HD3 D 1.65 ambi=2 { CD:29.2 } atom: 994 82P-HB2 B 2.31 ambi=2 { CB:32 } ::sumAvg: 3.205 atom: 994 82P-HB2 B 2.31 ambi=2 { CB:32 } atom: 1037 88K-QE E 3.07 ambi=2 { CE:42.4 } :: atom: 995 82P-HB3 B 1.92 ambi=2 { CB:32 } atom: 1037 88K-QE E 3.07 ambi=2 { CE:42.4 } ::sumAvg: 3.02 atom: 994 82P-HB2 B 2.31 ambi=2 { CB:32 } atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } :: atom: 995 82P-HB3 B 1.92 ambi=2 { CB:32 } atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } ::sumAvg: 4.325 atom: 996 82P-HG2 G 1.97 ambi=2 { CG:28.3 } atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } :: atom: 997 82P-HG3 G 2.25 ambi=2 { CG:28.3 } atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } ::sumAvg: 4.92 atom: 998 82P-HD2 D 3.98 ambi=2 { CD:51.1 } atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } :: atom: 999 82P-HD3 D 3.9 ambi=2 { CD:51.1 } atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } ::sumAvg: 4.37 atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } atom: 998 82P-HD2 D 3.98 ambi=2 { CD:51.1 } :: atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } atom: 999 82P-HD3 D 3.9 ambi=2 { CD:51.1 } ::sumAvg: 4.37 atom: 998 82P-HD2 D 3.98 ambi=2 { CD:51.1 } atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } :: atom: 999 82P-HD3 D 3.9 ambi=2 { CD:51.1 } atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } ::sumAvg: 4.985 atom: 1007 84Y-HB2 B 2.65 ambi=2 { CB:39.5 } atom: 1004 83A-HA A 4.14 ambi=1 {attached_atom is not_assigned} :: atom: 1008 84Y-HB3 B 2.47 ambi=2 { CB:39.5 } atom: 1004 83A-HA A 4.14 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.825 atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } atom: 1004 83A-HA A 4.14 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.745 atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } atom: 1004 83A-HA A 4.14 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.35 atom: 1006 84Y-HA A 4.47 ambi=1 { CA:57.5 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.575 atom: 1007 84Y-HB2 B 2.65 ambi=2 { CB:39.5 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} :: atom: 1008 84Y-HB3 B 2.47 ambi=2 { CB:39.5 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.475 atom: 1020 87N-HB2 B 3.01 ambi=2 { CB:40.6 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} :: atom: 1021 87N-HB3 B 2.86 ambi=2 { CB:40.6 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.94 atom: 1030 88K-HA A 4.32 ambi=1 { CA:58.1 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.64 atom: 1031 88K-HB2 B 2 ambi=2 { CB:33 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} :: atom: 1032 88K-HB3 B 1.91 ambi=2 { CB:33 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.645 atom: 1037 88K-QE E 3.07 ambi=2 { CE:42.4 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.56 atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.85 atom: 1068 91W-HB2 B 2.92 ambi=2 { CB:31.7 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} :: atom: 1069 91W-HB3 B 2.88 ambi=2 { CB:31.7 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.32 atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.76 atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.065 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.79 atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.73 atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } atom: 1005 83A-HB B 1.32 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.81 atom: 1006 84Y-HA A 4.47 ambi=1 { CA:57.5 } atom: 1007 84Y-HB2 B 2.65 ambi=2 { CB:39.5 } :: atom: 1006 84Y-HA A 4.47 ambi=1 { CA:57.5 } atom: 1008 84Y-HB3 B 2.47 ambi=2 { CB:39.5 } ::sumAvg: 2.385 atom: 1006 84Y-HA A 4.47 ambi=1 { CA:57.5 } atom: 1009 84Y-QD D 6.84 ambi=3 { CD1:133.1 } ::sumAvg: 2.92 atom: 1007 84Y-HB2 B 2.65 ambi=2 { CB:39.5 } atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } :: atom: 1008 84Y-HB3 B 2.47 ambi=2 { CB:39.5 } atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } ::sumAvg: 4.445 atom: 1007 84Y-HB2 B 2.65 ambi=2 { CB:39.5 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } :: atom: 1008 84Y-HB3 B 2.47 ambi=2 { CB:39.5 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 4.92 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 1007 84Y-HB2 B 2.65 ambi=2 { CB:39.5 } :: atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 1008 84Y-HB3 B 2.47 ambi=2 { CB:39.5 } ::sumAvg: 4.92 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 1009 84Y-QD D 6.84 ambi=3 { CD1:133.1 } ::sumAvg: 4.145 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 1011 84Y-QE E 6.51 ambi=3 { CE1:117.9 } ::sumAvg: 4.645 atom: 1019 87N-HA A 4.41 ambi=1 { CA:55.1 } atom: 1031 88K-HB2 B 2 ambi=2 { CB:33 } :: atom: 1019 87N-HA A 4.41 ambi=1 { CA:55.1 } atom: 1032 88K-HB3 B 1.91 ambi=2 { CB:33 } ::sumAvg: 4.835 atom: 1031 88K-HB2 B 2 ambi=2 { CB:33 } atom: 1019 87N-HA A 4.41 ambi=1 { CA:55.1 } :: atom: 1032 88K-HB3 B 1.91 ambi=2 { CB:33 } atom: 1019 87N-HA A 4.41 ambi=1 { CA:55.1 } ::sumAvg: 4.835 atom: 1019 87N-HA A 4.41 ambi=1 { CA:55.1 } atom: 1057 90H-H N 7.6 ambi=1 { N:111.5 } ::sumAvg: 4.56 atom: 1020 87N-HB2 B 3.01 ambi=2 { CB:40.6 } atom: 1030 88K-HA A 4.32 ambi=1 { CA:58.1 } :: atom: 1021 87N-HB3 B 2.86 ambi=2 { CB:40.6 } atom: 1030 88K-HA A 4.32 ambi=1 { CA:58.1 } ::sumAvg: 4.58 atom: 1030 88K-HA A 4.32 ambi=1 { CA:58.1 } atom: 1020 87N-HB2 B 3.01 ambi=2 { CB:40.6 } :: atom: 1030 88K-HA A 4.32 ambi=1 { CA:58.1 } atom: 1021 87N-HB3 B 2.86 ambi=2 { CB:40.6 } ::sumAvg: 4.58 atom: 1020 87N-HB2 B 3.01 ambi=2 { CB:40.6 } atom: 1046 89E-H N 8.39 ambi=1 { N:117 } :: atom: 1021 87N-HB3 B 2.86 ambi=2 { CB:40.6 } atom: 1046 89E-H N 8.39 ambi=1 { N:117 } ::sumAvg: 4.38 atom: 1020 87N-HB2 B 3.01 ambi=2 { CB:40.6 } atom: 1057 90H-H N 7.6 ambi=1 { N:111.5 } :: atom: 1021 87N-HB3 B 2.86 ambi=2 { CB:40.6 } atom: 1057 90H-H N 7.6 ambi=1 { N:111.5 } ::sumAvg: 3.705 atom: 1021 87N-HB3 B 2.86 ambi=2 { CB:40.6 } atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } ::sumAvg: 3.755 atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 1021 87N-HB3 B 2.86 ambi=2 { CB:40.6 } ::sumAvg: 3.755 atom: 1020 87N-HB2 B 3.01 ambi=2 { CB:40.6 } atom: 1066 91W-H N 7.65 ambi=1 { N:117.4 } :: atom: 1021 87N-HB3 B 2.86 ambi=2 { CB:40.6 } atom: 1066 91W-H N 7.65 ambi=1 { N:117.4 } ::sumAvg: 3.68 atom: 1020 87N-HB2 B 3.01 ambi=2 { CB:40.6 } atom: 1071 91W-HE1 E1 10.31 ambi=1 { NE1:129.6 } :: atom: 1021 87N-HB3 B 2.86 ambi=2 { CB:40.6 } atom: 1071 91W-HE1 E1 10.31 ambi=1 { NE1:129.6 } ::sumAvg: 4.97 atom: 1020 87N-HB2 B 3.01 ambi=2 { CB:40.6 } atom: 1072 91W-HE3 E3 7.31 ambi=1 {attached_atom is not_assigned} :: atom: 1021 87N-HB3 B 2.86 ambi=2 { CB:40.6 } atom: 1072 91W-HE3 E3 7.31 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.795 atom: 1068 91W-HB2 B 2.92 ambi=2 { CB:31.7 } atom: 1022 87N-HD21 D2 7.89 ambi=1 { ND2:115.7 } :: atom: 1069 91W-HB3 B 2.88 ambi=2 { CB:31.7 } atom: 1022 87N-HD21 D2 7.89 ambi=1 { ND2:115.7 } ::sumAvg: 4.79 atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } atom: 1029 88K-H N 8.71 ambi=1 { N:123.8 } ::sumAvg: 4.78 atom: 1068 91W-HB2 B 2.92 ambi=2 { CB:31.7 } atom: 1029 88K-H N 8.71 ambi=1 { N:123.8 } :: atom: 1069 91W-HB3 B 2.88 ambi=2 { CB:31.7 } atom: 1029 88K-H N 8.71 ambi=1 { N:123.8 } ::sumAvg: 4.33 atom: 1035 88K-HD2 D 1.62 ambi=2 { CD:29.2 } atom: 1030 88K-HA A 4.32 ambi=1 { CA:58.1 } :: atom: 1036 88K-HD3 D 1.65 ambi=2 { CD:29.2 } atom: 1030 88K-HA A 4.32 ambi=1 { CA:58.1 } ::sumAvg: 4.395 atom: 1030 88K-HA A 4.32 ambi=1 { CA:58.1 } atom: 1037 88K-QE E 3.07 ambi=2 { CE:42.4 } ::sumAvg: 4.22 atom: 1037 88K-QE E 3.07 ambi=2 { CE:42.4 } atom: 1030 88K-HA A 4.32 ambi=1 { CA:58.1 } ::sumAvg: 4.22 atom: 1030 88K-HA A 4.32 ambi=1 { CA:58.1 } atom: 1068 91W-HB2 B 2.92 ambi=2 { CB:31.7 } :: atom: 1030 88K-HA A 4.32 ambi=1 { CA:58.1 } atom: 1069 91W-HB3 B 2.88 ambi=2 { CB:31.7 } ::sumAvg: 4.125 atom: 1068 91W-HB2 B 2.92 ambi=2 { CB:31.7 } atom: 1030 88K-HA A 4.32 ambi=1 { CA:58.1 } :: atom: 1069 91W-HB3 B 2.88 ambi=2 { CB:31.7 } atom: 1030 88K-HA A 4.32 ambi=1 { CA:58.1 } ::sumAvg: 4.125 atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 1030 88K-HA A 4.32 ambi=1 { CA:58.1 } :: atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } atom: 1030 88K-HA A 4.32 ambi=1 { CA:58.1 } ::sumAvg: 4.76 atom: 1030 88K-HA A 4.32 ambi=1 { CA:58.1 } atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } ::sumAvg: 3.685 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 1030 88K-HA A 4.32 ambi=1 { CA:58.1 } ::sumAvg: 3.685 atom: 1031 88K-HB2 B 2 ambi=2 { CB:33 } atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } :: atom: 1032 88K-HB3 B 1.91 ambi=2 { CB:33 } atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } ::sumAvg: 4.735 atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } atom: 1031 88K-HB2 B 2 ambi=2 { CB:33 } :: atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } atom: 1032 88K-HB3 B 1.91 ambi=2 { CB:33 } ::sumAvg: 4.735 atom: 1033 88K-HG2 G 1.63 ambi=2 { CG:25.6 } atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } :: atom: 1034 88K-HG3 G 1.4 ambi=2 { CG:25.6 } atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } ::sumAvg: 3.645 atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } atom: 1033 88K-HG2 G 1.63 ambi=2 { CG:25.6 } :: atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } atom: 1034 88K-HG3 G 1.4 ambi=2 { CG:25.6 } ::sumAvg: 3.645 atom: 1033 88K-HG2 G 1.63 ambi=2 { CG:25.6 } atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } :: atom: 1034 88K-HG3 G 1.4 ambi=2 { CG:25.6 } atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } ::sumAvg: 4.49 atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } atom: 1033 88K-HG2 G 1.63 ambi=2 { CG:25.6 } :: atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } atom: 1034 88K-HG3 G 1.4 ambi=2 { CG:25.6 } ::sumAvg: 4.49 atom: 1033 88K-HG2 G 1.63 ambi=2 { CG:25.6 } atom: 1050 89E-QG G 2.24 ambi=2 { CG:37.4 } :: atom: 1034 88K-HG3 G 1.4 ambi=2 { CG:25.6 } atom: 1050 89E-QG G 2.24 ambi=2 { CG:37.4 } ::sumAvg: 4.13 atom: 1050 89E-QG G 2.24 ambi=2 { CG:37.4 } atom: 1033 88K-HG2 G 1.63 ambi=2 { CG:25.6 } :: atom: 1050 89E-QG G 2.24 ambi=2 { CG:37.4 } atom: 1034 88K-HG3 G 1.4 ambi=2 { CG:25.6 } ::sumAvg: 4.13 atom: 1033 88K-HG2 G 1.63 ambi=2 { CG:25.6 } atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } :: atom: 1034 88K-HG3 G 1.4 ambi=2 { CG:25.6 } atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } ::sumAvg: 4.73 atom: 1037 88K-QE E 3.07 ambi=2 { CE:42.4 } atom: 1046 89E-H N 8.39 ambi=1 { N:117 } ::sumAvg: 4.77 atom: 1037 88K-QE E 3.07 ambi=2 { CE:42.4 } atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } ::sumAvg: 4.28 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 1037 88K-QE E 3.07 ambi=2 { CE:42.4 } ::sumAvg: 4.28 atom: 1058 90H-HA A 4.58 ambi=1 { CA:55.5 } atom: 1046 89E-H N 8.39 ambi=1 { N:117 } ::sumAvg: 4.945 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 1046 89E-H N 8.39 ambi=1 { N:117 } ::sumAvg: 3.96 atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } ::sumAvg: 2.23 atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } :: atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } ::sumAvg: 4.91 atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } :: atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } ::sumAvg: 4.91 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 1047 89E-HA A 4.27 ambi=1 { CA:57.8 } ::sumAvg: 3.35 atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } atom: 1058 90H-HA A 4.58 ambi=1 { CA:55.5 } ::sumAvg: 4.25 atom: 1058 90H-HA A 4.58 ambi=1 { CA:55.5 } atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } ::sumAvg: 4.25 atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } :: atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } ::sumAvg: 4.94 atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } :: atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } ::sumAvg: 4.94 atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } ::sumAvg: 4.88 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 1048 89E-QB B 2.1 ambi=2 { CB:30.1 } ::sumAvg: 4.88 atom: 1050 89E-QG G 2.24 ambi=2 { CG:37.4 } atom: 1058 90H-HA A 4.58 ambi=1 { CA:55.5 } ::sumAvg: 4.675 atom: 1058 90H-HA A 4.58 ambi=1 { CA:55.5 } atom: 1050 89E-QG G 2.24 ambi=2 { CG:37.4 } ::sumAvg: 4.675 atom: 1050 89E-QG G 2.24 ambi=2 { CG:37.4 } atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } :: atom: 1050 89E-QG G 2.24 ambi=2 { CG:37.4 } atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } ::sumAvg: 4.87 atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 1050 89E-QG G 2.24 ambi=2 { CG:37.4 } :: atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } atom: 1050 89E-QG G 2.24 ambi=2 { CG:37.4 } ::sumAvg: 4.87 atom: 1050 89E-QG G 2.24 ambi=2 { CG:37.4 } atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } ::sumAvg: 4.79 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 1050 89E-QG G 2.24 ambi=2 { CG:37.4 } ::sumAvg: 4.79 atom: 1058 90H-HA A 4.58 ambi=1 { CA:55.5 } atom: 1061 90H-HD1 D1 7.35 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.59 atom: 1058 90H-HA A 4.58 ambi=1 { CA:55.5 } atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } ::sumAvg: 4.565 atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } atom: 1058 90H-HA A 4.58 ambi=1 { CA:55.5 } ::sumAvg: 4.565 atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 1061 90H-HD1 D1 7.35 ambi=1 {attached_atom is not_assigned} :: atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } atom: 1061 90H-HD1 D1 7.35 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.67 atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } :: atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } ::sumAvg: 4.71 atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } :: atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } ::sumAvg: 4.71 atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 1068 91W-HB2 B 2.92 ambi=2 { CB:31.7 } :: atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 1069 91W-HB3 B 2.88 ambi=2 { CB:31.7 } ::sumAvg: 4.615 atom: 1068 91W-HB2 B 2.92 ambi=2 { CB:31.7 } atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } :: atom: 1069 91W-HB3 B 2.88 ambi=2 { CB:31.7 } atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } ::sumAvg: 4.615 atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 1071 91W-HE1 E1 10.31 ambi=1 { NE1:129.6 } :: atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } atom: 1071 91W-HE1 E1 10.31 ambi=1 { NE1:129.6 } ::sumAvg: 4.25 atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 1072 91W-HE3 E3 7.31 ambi=1 {attached_atom is not_assigned} :: atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } atom: 1072 91W-HE3 E3 7.31 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.33 atom: 1059 90H-HB2 B 3.34 ambi=2 { CB:32.2 } atom: 1074 91W-HZ3 Z3 6.86 ambi=1 { CZ3:120.9 } :: atom: 1060 90H-HB3 B 3.01 ambi=2 { CB:32.2 } atom: 1074 91W-HZ3 Z3 6.86 ambi=1 { CZ3:120.9 } ::sumAvg: 4.88 atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 1066 91W-H N 7.65 ambi=1 { N:117.4 } :: atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } atom: 1066 91W-H N 7.65 ambi=1 { N:117.4 } ::sumAvg: 4.215 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 1066 91W-H N 7.65 ambi=1 { N:117.4 } ::sumAvg: 4.525 atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } atom: 1070 91W-HD1 D1 7.47 ambi=1 { CD1:127 } ::sumAvg: 3.16 atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } atom: 1072 91W-HE3 E3 7.31 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.015 atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } ::sumAvg: 4.485 atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } ::sumAvg: 4.485 atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } ::sumAvg: 4.595 atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } ::sumAvg: 4.595 atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } :: atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } ::sumAvg: 3.68 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 1067 91W-HA A 5.61 ambi=1 { CA:55.5 } ::sumAvg: 4.665 atom: 1068 91W-HB2 B 2.92 ambi=2 { CB:31.7 } atom: 1071 91W-HE1 E1 10.31 ambi=1 { NE1:129.6 } :: atom: 1069 91W-HB3 B 2.88 ambi=2 { CB:31.7 } atom: 1071 91W-HE1 E1 10.31 ambi=1 { NE1:129.6 } ::sumAvg: 4.9 atom: 1068 91W-HB2 B 2.92 ambi=2 { CB:31.7 } atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } :: atom: 1069 91W-HB3 B 2.88 ambi=2 { CB:31.7 } atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } ::sumAvg: 4.54 atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } atom: 1068 91W-HB2 B 2.92 ambi=2 { CB:31.7 } :: atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } atom: 1069 91W-HB3 B 2.88 ambi=2 { CB:31.7 } ::sumAvg: 4.54 atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } ::sumAvg: 2.775 atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } :: atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } ::sumAvg: 2.945 atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } atom: 1085 92I-H N 9.1 ambi=1 { N:111.7 } ::sumAvg: 4.75 atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } :: atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } ::sumAvg: 2.83 atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } ::sumAvg: 2.895 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 1086 92I-HA A 4.63 ambi=1 { CA:59.8 } ::sumAvg: 4.545 atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } ::sumAvg: 4.995 atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } ::sumAvg: 4.995 atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } :: atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } atom: 1087 92I-HB B 1.95 ambi=1 { CB:42.5 } ::sumAvg: 3.945 atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } ::sumAvg: 2.13 atom: 1091 92I-HD1 D1 0.76 ambi=1 { CD1:14.8 } atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } ::sumAvg: 2.13 atom: 1088 92I-HG12 G1 1.17 ambi=2 { CG1:25.3 } atom: 1099 93T-H N 8.57 ambi=1 { N:117.6 } :: atom: 1089 92I-HG13 G1 1.1 ambi=2 { CG1:25.3 } atom: 1099 93T-H N 8.57 ambi=1 { N:117.6 } ::sumAvg: 4.625 atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } ::sumAvg: 3.905 atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } ::sumAvg: 3.905 atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } ::sumAvg: 4.365 atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } ::sumAvg: 4.365 atom: 1090 92I-HG2 G2 0.82 ambi=1 { CG2:19.3 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } ::sumAvg: 4.125 atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } atom: 1099 93T-H N 8.57 ambi=1 { N:117.6 } ::sumAvg: 2.97 atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } atom: 1099 93T-H N 8.57 ambi=1 { N:117.6 } ::sumAvg: 3.12 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 1099 93T-H N 8.57 ambi=1 { N:117.6 } ::sumAvg: 3.18 atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } ::sumAvg: 2.735 atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } ::sumAvg: 2.735 atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } atom: 1102 93T-HG1 G1 4.8 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.975 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } ::sumAvg: 2.335 atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } ::sumAvg: 4.46 atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } ::sumAvg: 4.46 atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } ::sumAvg: 4.67 atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } ::sumAvg: 4.67 atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } :: atom: 1100 93T-HA A 4.25 ambi=1 { CA:61.8 } atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } ::sumAvg: 3.69 atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } atom: 1102 93T-HG1 G1 4.8 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.565 atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 2.145 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } ::sumAvg: 2.145 atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } ::sumAvg: 4.78 atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } atom: 1101 93T-HB B 3.83 ambi=1 { CB:70.2 } ::sumAvg: 4.78 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } ::sumAvg: 4.61 atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 4.61 atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } ::sumAvg: 4.935 atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 1103 93T-HG2 G2 1.14 ambi=1 { CG2:21.6 } ::sumAvg: 4.935 atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } :: atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } ::sumAvg: 4.37 atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } :: atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } atom: 1108 94V-HA A 4.68 ambi=1 { CA:60.7 } ::sumAvg: 4.945 atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } :: atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } ::sumAvg: 2.11 atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } ::sumAvg: 4.1 atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 4.335 atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } ::sumAvg: 4.55 atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } ::sumAvg: 4.55 atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 4.195 atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } ::sumAvg: 4.195 atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } :: atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } atom: 1109 94V-HB B 2.01 ambi=1 { CB:34.1 } ::sumAvg: 4.615 atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } :: atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } ::sumAvg: 3.935 atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } :: atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } ::sumAvg: 3.86 atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } :: atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } ::sumAvg: 4.185 atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } atom: 1178 100L-HG G 1.72 ambi=1 { CG:27.7 } :: atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } atom: 1178 100L-HG G 1.72 ambi=1 { CG:27.7 } ::sumAvg: 3.415 atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } :: atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } ::sumAvg: 3.725 atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } :: atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } ::sumAvg: 4.99 atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } :: atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } ::sumAvg: 2.53 atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } :: atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } ::sumAvg: 2.53 atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } atom: 1110 94V-HG1 G1 0.78 ambi=2 { CG1:21.5 } :: atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } atom: 1111 94V-HG2 G2 0.87 ambi=2 { CG2:21.1 } ::sumAvg: 4.975 atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } ::sumAvg: 4.405 atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } :: atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } ::sumAvg: 4.84 atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } :: atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } atom: 1117 95L-H N 8.08 ambi=1 { N:127.5 } ::sumAvg: 3.415 atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } :: atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } ::sumAvg: 2.22 atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } ::sumAvg: 3.15 atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } ::sumAvg: 3.15 atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 2.08 atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } :: atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } ::sumAvg: 4.525 atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } :: atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } ::sumAvg: 4.525 atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } ::sumAvg: 3.965 atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } ::sumAvg: 3.965 atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 4.76 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } ::sumAvg: 4.76 atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } ::sumAvg: 3.58 atom: 1118 95L-HA A 4.33 ambi=1 { CA:55 } atom: 1156 98G-H N 7.82 ambi=1 { N:108.6 } ::sumAvg: 4.67 atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } ::sumAvg: 2.535 atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } :: atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } ::sumAvg: 4.27 atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } atom: 1156 98G-H N 7.82 ambi=1 { N:108.6 } :: atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } atom: 1156 98G-H N 7.82 ambi=1 { N:108.6 } ::sumAvg: 3.675 atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } atom: 1119 95L-HB2 B 2.04 ambi=2 { CB:44.3 } :: atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } atom: 1120 95L-HB3 B 1.41 ambi=2 { CB:44.3 } ::sumAvg: 4.18 atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 2.13 atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } ::sumAvg: 3.225 atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } ::sumAvg: 4.375 atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } ::sumAvg: 4.375 atom: 1146 97N-HA A 4.74 ambi=1 { CA:53 } atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } ::sumAvg: 4.11 atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 1147 97N-HB2 B 2.94 ambi=2 { CB:37.7 } :: atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 1148 97N-HB3 B 2.9 ambi=2 { CB:37.7 } ::sumAvg: 3.275 atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } :: atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } ::sumAvg: 3.05 atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } ::sumAvg: 4.835 atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } ::sumAvg: 4.835 atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } :: atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } ::sumAvg: 4.77 atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } :: atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } atom: 1121 95L-HG G 1.56 ambi=1 { CG:26.8 } ::sumAvg: 4.77 atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } :: atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } ::sumAvg: 4.685 atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 4.685 atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } :: atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 3.885 atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } :: atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } ::sumAvg: 4.515 atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 4.515 atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } ::sumAvg: 4.915 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 4.915 atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } :: atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } ::sumAvg: 2.375 atom: 1146 97N-HA A 4.74 ambi=1 { CA:53 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 1146 97N-HA A 4.74 ambi=1 { CA:53 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 4.49 atom: 1147 97N-HB2 B 2.94 ambi=2 { CB:37.7 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 1148 97N-HB3 B 2.9 ambi=2 { CB:37.7 } atom: 1122 95L-HD1 D1 0.84 ambi=2 { CD1:24.2 } :: atom: 1147 97N-HB2 B 2.94 ambi=2 { CB:37.7 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } :: atom: 1148 97N-HB3 B 2.9 ambi=2 { CB:37.7 } atom: 1123 95L-HD2 D2 0.93 ambi=2 { CD2:26.2 } ::sumAvg: 2.48 atom: 1147 97N-HB2 B 2.94 ambi=2 { CB:37.7 } atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } :: atom: 1148 97N-HB3 B 2.9 ambi=2 { CB:37.7 } atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } ::sumAvg: 4.935 atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } atom: 1131 96L-H N 8.05 ambi=1 { N:128.1 } ::sumAvg: 4.88 atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 2.065 atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } ::sumAvg: 3.445 atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } atom: 1146 97N-HA A 4.74 ambi=1 { CA:53 } ::sumAvg: 4.645 atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } atom: 1156 98G-H N 7.82 ambi=1 { N:108.6 } ::sumAvg: 3.55 atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } :: atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } ::sumAvg: 4.28 atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } :: atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } ::sumAvg: 4.78 atom: 1132 96L-HA A 4.15 ambi=1 { CA:56.5 } atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } ::sumAvg: 2.9 atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } atom: 1146 97N-HA A 4.74 ambi=1 { CA:53 } :: atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } atom: 1146 97N-HA A 4.74 ambi=1 { CA:53 } ::sumAvg: 4.47 atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } atom: 1150 97N-HD22 D2 7.13 ambi=1 { ND2:113.6 } :: atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } atom: 1150 97N-HD22 D2 7.13 ambi=1 { ND2:113.6 } ::sumAvg: 4.685 atom: 1133 96L-HB2 B 1.49 ambi=2 { CB:40.5 } atom: 1156 98G-H N 7.82 ambi=1 { N:108.6 } :: atom: 1134 96L-HB3 B 1.58 ambi=2 { CB:40.5 } atom: 1156 98G-H N 7.82 ambi=1 { N:108.6 } ::sumAvg: 4.87 atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 2.13 atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } ::sumAvg: 4.45 atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } atom: 1135 96L-HG G 1.36 ambi=1 { CG:27 } ::sumAvg: 4.135 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } ::sumAvg: 4.42 atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 4.42 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } ::sumAvg: 3.395 atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } :: atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } ::sumAvg: 4.55 atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 1136 96L-HD1 D1 0.49 ambi=2 { CD1:25.4 } :: atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 1137 96L-HD2 D2 0.58 ambi=2 { CD2:22.6 } ::sumAvg: 4.55 atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } :: atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } atom: 1145 97N-H N 8.69 ambi=1 { N:117.2 } ::sumAvg: 4.51 atom: 1146 97N-HA A 4.74 ambi=1 { CA:53 } atom: 1149 97N-HD21 D2 7.68 ambi=1 { ND2:113.6 } :: atom: 1146 97N-HA A 4.74 ambi=1 { CA:53 } atom: 1150 97N-HD22 D2 7.13 ambi=1 { ND2:113.6 } ::sumAvg: 2.205 atom: 1146 97N-HA A 4.74 ambi=1 { CA:53 } atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } ::sumAvg: 4.69 atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } atom: 1146 97N-HA A 4.74 ambi=1 { CA:53 } ::sumAvg: 4.69 atom: 1147 97N-HB2 B 2.94 ambi=2 { CB:37.7 } atom: 1156 98G-H N 7.82 ambi=1 { N:108.6 } :: atom: 1148 97N-HB3 B 2.9 ambi=2 { CB:37.7 } atom: 1156 98G-H N 7.82 ambi=1 { N:108.6 } ::sumAvg: 4.09 atom: 1147 97N-HB2 B 2.94 ambi=2 { CB:37.7 } atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } :: atom: 1147 97N-HB2 B 2.94 ambi=2 { CB:37.7 } atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } :: atom: 1148 97N-HB3 B 2.9 ambi=2 { CB:37.7 } atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } :: atom: 1148 97N-HB3 B 2.9 ambi=2 { CB:37.7 } atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } ::sumAvg: 4.585 atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } atom: 1147 97N-HB2 B 2.94 ambi=2 { CB:37.7 } :: atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } atom: 1147 97N-HB2 B 2.94 ambi=2 { CB:37.7 } :: atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } atom: 1148 97N-HB3 B 2.9 ambi=2 { CB:37.7 } :: atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } atom: 1148 97N-HB3 B 2.9 ambi=2 { CB:37.7 } ::sumAvg: 4.585 atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } atom: 1156 98G-H N 7.82 ambi=1 { N:108.6 } ::sumAvg: 4.19 atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } atom: 1162 99P-HA A 4.38 ambi=1 { CA:63.9 } ::sumAvg: 4.4 atom: 1162 99P-HA A 4.38 ambi=1 { CA:63.9 } atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } ::sumAvg: 4.4 atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } atom: 1163 99P-HB2 B 2.24 ambi=2 { CB:32.4 } :: atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } atom: 1164 99P-HB3 B 1.86 ambi=2 { CB:32.4 } :: atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } atom: 1163 99P-HB2 B 2.24 ambi=2 { CB:32.4 } :: atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } atom: 1164 99P-HB3 B 1.86 ambi=2 { CB:32.4 } ::sumAvg: 4.92 atom: 1163 99P-HB2 B 2.24 ambi=2 { CB:32.4 } atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } :: atom: 1164 99P-HB3 B 1.86 ambi=2 { CB:32.4 } atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } :: atom: 1163 99P-HB2 B 2.24 ambi=2 { CB:32.4 } atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } :: atom: 1164 99P-HB3 B 1.86 ambi=2 { CB:32.4 } atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } ::sumAvg: 4.92 atom: 1165 99P-QG G 1.94 ambi=2 { CG:26.9 } atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } :: atom: 1165 99P-QG G 1.94 ambi=2 { CG:26.9 } atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } ::sumAvg: 4.05 atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } atom: 1174 100L-H N 7.75 ambi=1 { N:120.3 } :: atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } atom: 1174 100L-H N 7.75 ambi=1 { N:120.3 } ::sumAvg: 4.1 atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } atom: 1178 100L-HG G 1.72 ambi=1 { CG:27.7 } :: atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } atom: 1178 100L-HG G 1.72 ambi=1 { CG:27.7 } ::sumAvg: 4.49 atom: 1178 100L-HG G 1.72 ambi=1 { CG:27.7 } atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } :: atom: 1178 100L-HG G 1.72 ambi=1 { CG:27.7 } atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } ::sumAvg: 4.49 atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } :: atom: 1157 98G-HA2 A 4.47 ambi=2 { CA:44.9 } atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } :: atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } :: atom: 1158 98G-HA3 A 3.74 ambi=2 { CA:44.9 } atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } ::sumAvg: 3.35 atom: 1162 99P-HA A 4.38 ambi=1 { CA:63.9 } atom: 1165 99P-QG G 1.94 ambi=2 { CG:26.9 } ::sumAvg: 3.195 atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } atom: 1162 99P-HA A 4.38 ambi=1 { CA:63.9 } ::sumAvg: 3.43 atom: 1162 99P-HA A 4.38 ambi=1 { CA:63.9 } atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } :: atom: 1162 99P-HA A 4.38 ambi=1 { CA:63.9 } atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } ::sumAvg: 4.795 atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } atom: 1162 99P-HA A 4.38 ambi=1 { CA:63.9 } :: atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } atom: 1162 99P-HA A 4.38 ambi=1 { CA:63.9 } ::sumAvg: 4.795 atom: 1163 99P-HB2 B 2.24 ambi=2 { CB:32.4 } atom: 1175 100L-HA A 4.28 ambi=1 { CA:55.8 } :: atom: 1164 99P-HB3 B 1.86 ambi=2 { CB:32.4 } atom: 1175 100L-HA A 4.28 ambi=1 { CA:55.8 } ::sumAvg: 4.3 atom: 1175 100L-HA A 4.28 ambi=1 { CA:55.8 } atom: 1163 99P-HB2 B 2.24 ambi=2 { CB:32.4 } :: atom: 1175 100L-HA A 4.28 ambi=1 { CA:55.8 } atom: 1164 99P-HB3 B 1.86 ambi=2 { CB:32.4 } ::sumAvg: 4.3 atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } atom: 1163 99P-HB2 B 2.24 ambi=2 { CB:32.4 } :: atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } atom: 1163 99P-HB2 B 2.24 ambi=2 { CB:32.4 } :: atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } atom: 1164 99P-HB3 B 1.86 ambi=2 { CB:32.4 } :: atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } atom: 1164 99P-HB3 B 1.86 ambi=2 { CB:32.4 } ::sumAvg: 4.715 atom: 1165 99P-QG G 1.94 ambi=2 { CG:26.9 } atom: 1174 100L-H N 7.75 ambi=1 { N:120.3 } ::sumAvg: 2.865 atom: 1165 99P-QG G 1.94 ambi=2 { CG:26.9 } atom: 1175 100L-HA A 4.28 ambi=1 { CA:55.8 } ::sumAvg: 4.8 atom: 1175 100L-HA A 4.28 ambi=1 { CA:55.8 } atom: 1165 99P-QG G 1.94 ambi=2 { CG:26.9 } ::sumAvg: 4.8 atom: 1165 99P-QG G 1.94 ambi=2 { CG:26.9 } atom: 1176 100L-HB2 B 1.45 ambi=2 { CB:42.6 } ::sumAvg: 4.685 atom: 1176 100L-HB2 B 1.45 ambi=2 { CB:42.6 } atom: 1165 99P-QG G 1.94 ambi=2 { CG:26.9 } ::sumAvg: 4.685 atom: 1165 99P-QG G 1.94 ambi=2 { CG:26.9 } atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } :: atom: 1165 99P-QG G 1.94 ambi=2 { CG:26.9 } atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } ::sumAvg: 4.005 atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } atom: 1165 99P-QG G 1.94 ambi=2 { CG:26.9 } :: atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } atom: 1165 99P-QG G 1.94 ambi=2 { CG:26.9 } ::sumAvg: 4.005 atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } atom: 1175 100L-HA A 4.28 ambi=1 { CA:55.8 } ::sumAvg: 4.985 atom: 1175 100L-HA A 4.28 ambi=1 { CA:55.8 } atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } ::sumAvg: 4.985 atom: 1176 100L-HB2 B 1.45 ambi=2 { CB:42.6 } atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } :: atom: 1177 100L-HB3 B 1.7 ambi=2 { CB:42.6 } atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } ::sumAvg: 4.52 atom: 1178 100L-HG G 1.72 ambi=1 { CG:27.7 } atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } ::sumAvg: 4.135 atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } :: atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } ::sumAvg: 3.335 atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } :: atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } atom: 1167 99P-QD D 3.69 ambi=2 { CD:50 } ::sumAvg: 3.335 atom: 1178 100L-HG G 1.72 ambi=1 { CG:27.7 } atom: 1174 100L-H N 7.75 ambi=1 { N:120.3 } ::sumAvg: 2.89 atom: 1175 100L-HA A 4.28 ambi=1 { CA:55.8 } atom: 1178 100L-HG G 1.72 ambi=1 { CG:27.7 } ::sumAvg: 3.625 atom: 1178 100L-HG G 1.72 ambi=1 { CG:27.7 } atom: 1175 100L-HA A 4.28 ambi=1 { CA:55.8 } ::sumAvg: 3.625 atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } atom: 1175 100L-HA A 4.28 ambi=1 { CA:55.8 } :: atom: 1221 104E-HB3 B 1.85 ambi=2 { CB:29.1 } atom: 1175 100L-HA A 4.28 ambi=1 { CA:55.8 } ::sumAvg: 3.705 atom: 1175 100L-HA A 4.28 ambi=1 { CA:55.8 } atom: 1222 104E-HG2 G 2.33 ambi=2 { CG:36.5 } :: atom: 1175 100L-HA A 4.28 ambi=1 { CA:55.8 } atom: 1223 104E-HG3 G 2.26 ambi=2 { CG:36.5 } ::sumAvg: 4.195 atom: 1222 104E-HG2 G 2.33 ambi=2 { CG:36.5 } atom: 1175 100L-HA A 4.28 ambi=1 { CA:55.8 } :: atom: 1223 104E-HG3 G 2.26 ambi=2 { CG:36.5 } atom: 1175 100L-HA A 4.28 ambi=1 { CA:55.8 } ::sumAvg: 4.195 atom: 1176 100L-HB2 B 1.45 ambi=2 { CB:42.6 } atom: 1189 101G-HA2 A 4.11 ambi=2 { CA:44.3 } :: atom: 1176 100L-HB2 B 1.45 ambi=2 { CB:42.6 } atom: 1190 101G-HA3 A 3.89 ambi=2 { CA:44.3 } :: atom: 1177 100L-HB3 B 1.7 ambi=2 { CB:42.6 } atom: 1189 101G-HA2 A 4.11 ambi=2 { CA:44.3 } :: atom: 1177 100L-HB3 B 1.7 ambi=2 { CB:42.6 } atom: 1190 101G-HA3 A 3.89 ambi=2 { CA:44.3 } ::sumAvg: 4.625 atom: 1176 100L-HB2 B 1.45 ambi=2 { CB:42.6 } atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } :: atom: 1177 100L-HB3 B 1.7 ambi=2 { CB:42.6 } atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } ::sumAvg: 4.05 atom: 1176 100L-HB2 B 1.45 ambi=2 { CB:42.6 } atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } :: atom: 1177 100L-HB3 B 1.7 ambi=2 { CB:42.6 } atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } ::sumAvg: 4.85 atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } atom: 1176 100L-HB2 B 1.45 ambi=2 { CB:42.6 } :: atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } atom: 1177 100L-HB3 B 1.7 ambi=2 { CB:42.6 } ::sumAvg: 4.85 atom: 1176 100L-HB2 B 1.45 ambi=2 { CB:42.6 } atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } :: atom: 1177 100L-HB3 B 1.7 ambi=2 { CB:42.6 } atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } ::sumAvg: 3.115 atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } atom: 1176 100L-HB2 B 1.45 ambi=2 { CB:42.6 } :: atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } atom: 1177 100L-HB3 B 1.7 ambi=2 { CB:42.6 } ::sumAvg: 3.115 atom: 1178 100L-HG G 1.72 ambi=1 { CG:27.7 } atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } ::sumAvg: 4.765 atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } atom: 1178 100L-HG G 1.72 ambi=1 { CG:27.7 } ::sumAvg: 4.765 atom: 1178 100L-HG G 1.72 ambi=1 { CG:27.7 } atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } ::sumAvg: 3.92 atom: 1178 100L-HG G 1.72 ambi=1 { CG:27.7 } atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } :: atom: 1178 100L-HG G 1.72 ambi=1 { CG:27.7 } atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } ::sumAvg: 4.9 atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } atom: 1178 100L-HG G 1.72 ambi=1 { CG:27.7 } :: atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } atom: 1178 100L-HG G 1.72 ambi=1 { CG:27.7 } ::sumAvg: 4.9 atom: 1189 101G-HA2 A 4.11 ambi=2 { CA:44.3 } atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } :: atom: 1190 101G-HA3 A 3.89 ambi=2 { CA:44.3 } atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } :: atom: 1189 101G-HA2 A 4.11 ambi=2 { CA:44.3 } atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } :: atom: 1190 101G-HA3 A 3.89 ambi=2 { CA:44.3 } atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } ::sumAvg: 4.275 atom: 1219 104E-HA A 4.08 ambi=1 { CA:59.5 } atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } :: atom: 1219 104E-HA A 4.08 ambi=1 { CA:59.5 } atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } ::sumAvg: 4.92 atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } :: atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } atom: 1221 104E-HB3 B 1.85 ambi=2 { CB:29.1 } :: atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } :: atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } atom: 1221 104E-HB3 B 1.85 ambi=2 { CB:29.1 } ::sumAvg: 2.88 atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } :: atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } ::sumAvg: 4.795 atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } :: atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } ::sumAvg: 2.915 atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } :: atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } ::sumAvg: 4.99 atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } atom: 1179 100L-HD1 D1 0.76 ambi=2 { CD1:25.3 } :: atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } atom: 1180 100L-HD2 D2 0.85 ambi=2 { CD2:25.1 } ::sumAvg: 4.99 atom: 1222 104E-HG2 G 2.33 ambi=2 { CG:36.5 } atom: 1188 101G-H N 8.62 ambi=1 { N:110.6 } :: atom: 1223 104E-HG3 G 2.26 ambi=2 { CG:36.5 } atom: 1188 101G-H N 8.62 ambi=1 { N:110.6 } ::sumAvg: 3.865 atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } atom: 1188 101G-H N 8.62 ambi=1 { N:110.6 } :: atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } atom: 1188 101G-H N 8.62 ambi=1 { N:110.6 } ::sumAvg: 3.845 atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } atom: 1188 101G-H N 8.62 ambi=1 { N:110.6 } ::sumAvg: 4.195 atom: 1189 101G-HA2 A 4.11 ambi=2 { CA:44.3 } atom: 1195 102A-HA A 3.52 ambi=1 { CA:55.4 } ::sumAvg: 4.36 atom: 1203 103K-HB2 B 1.8 ambi=2 { CB:31.9 } atom: 1189 101G-HA2 A 4.11 ambi=2 { CA:44.3 } :: atom: 1204 103K-HB3 B 1.72 ambi=2 { CB:31.9 } atom: 1189 101G-HA2 A 4.11 ambi=2 { CA:44.3 } :: atom: 1203 103K-HB2 B 1.8 ambi=2 { CB:31.9 } atom: 1190 101G-HA3 A 3.89 ambi=2 { CA:44.3 } :: atom: 1204 103K-HB3 B 1.72 ambi=2 { CB:31.9 } atom: 1190 101G-HA3 A 3.89 ambi=2 { CA:44.3 } ::sumAvg: 4.45 atom: 1189 101G-HA2 A 4.11 ambi=2 { CA:44.3 } atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } :: atom: 1189 101G-HA2 A 4.11 ambi=2 { CA:44.3 } atom: 1221 104E-HB3 B 1.85 ambi=2 { CB:29.1 } :: atom: 1190 101G-HA3 A 3.89 ambi=2 { CA:44.3 } atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } :: atom: 1190 101G-HA3 A 3.89 ambi=2 { CA:44.3 } atom: 1221 104E-HB3 B 1.85 ambi=2 { CB:29.1 } ::sumAvg: 3.86 atom: 1189 101G-HA2 A 4.11 ambi=2 { CA:44.3 } atom: 1222 104E-HG2 G 2.33 ambi=2 { CG:36.5 } :: atom: 1189 101G-HA2 A 4.11 ambi=2 { CA:44.3 } atom: 1223 104E-HG3 G 2.26 ambi=2 { CG:36.5 } :: atom: 1190 101G-HA3 A 3.89 ambi=2 { CA:44.3 } atom: 1222 104E-HG2 G 2.33 ambi=2 { CG:36.5 } :: atom: 1190 101G-HA3 A 3.89 ambi=2 { CA:44.3 } atom: 1223 104E-HG3 G 2.26 ambi=2 { CG:36.5 } ::sumAvg: 4.69 atom: 1189 101G-HA2 A 4.11 ambi=2 { CA:44.3 } atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } :: atom: 1190 101G-HA3 A 3.89 ambi=2 { CA:44.3 } atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } ::sumAvg: 4.7 atom: 1189 101G-HA2 A 4.11 ambi=2 { CA:44.3 } atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } :: atom: 1190 101G-HA3 A 3.89 ambi=2 { CA:44.3 } atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } ::sumAvg: 4.39 atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } atom: 1194 102A-H N 8.31 ambi=1 { N:122 } ::sumAvg: 4.43 atom: 1195 102A-HA A 3.52 ambi=1 { CA:55.4 } atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } :: atom: 1195 102A-HA A 3.52 ambi=1 { CA:55.4 } atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } ::sumAvg: 3.84 atom: 1195 102A-HA A 3.52 ambi=1 { CA:55.4 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 4.025 atom: 1195 102A-HA A 3.52 ambi=1 { CA:55.4 } atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } ::sumAvg: 4.98 atom: 1203 103K-HB2 B 1.8 ambi=2 { CB:31.9 } atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } :: atom: 1204 103K-HB3 B 1.72 ambi=2 { CB:31.9 } atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } ::sumAvg: 4.49 atom: 1207 103K-QD D 1.63 ambi=2 { CD:29.4 } atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } ::sumAvg: 4.97 atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } atom: 1209 103K-HE2 E 2.95 ambi=2 { CE:42.2 } :: atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } atom: 1210 103K-HE3 E 2.93 ambi=2 { CE:42.2 } ::sumAvg: 4.885 atom: 1209 103K-HE2 E 2.95 ambi=2 { CE:42.2 } atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } :: atom: 1210 103K-HE3 E 2.93 ambi=2 { CE:42.2 } atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } ::sumAvg: 4.885 atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } atom: 1218 104E-H N 7.89 ambi=1 { N:120 } ::sumAvg: 4.5 atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } ::sumAvg: 4.585 atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } atom: 1243 106H-H N 8.93 ambi=1 { N:116.7 } ::sumAvg: 4.45 atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } :: atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } ::sumAvg: 4.89 atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } :: atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } ::sumAvg: 4.89 atom: 1196 102A-HB B 1.12 ambi=1 { CB:18.6 } atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } ::sumAvg: 4.64 atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } atom: 1201 103K-H N 8.36 ambi=1 { N:116.5 } :: atom: 1221 104E-HB3 B 1.85 ambi=2 { CB:29.1 } atom: 1201 103K-H N 8.36 ambi=1 { N:116.5 } ::sumAvg: 4.76 atom: 1202 103K-HA A 3.73 ambi=1 { CA:60 } atom: 1207 103K-QD D 1.63 ambi=2 { CD:29.4 } ::sumAvg: 3.95 atom: 1202 103K-HA A 3.73 ambi=1 { CA:60 } atom: 1209 103K-HE2 E 2.95 ambi=2 { CE:42.2 } :: atom: 1202 103K-HA A 3.73 ambi=1 { CA:60 } atom: 1210 103K-HE3 E 2.93 ambi=2 { CE:42.2 } ::sumAvg: 4.975 atom: 1209 103K-HE2 E 2.95 ambi=2 { CE:42.2 } atom: 1202 103K-HA A 3.73 ambi=1 { CA:60 } :: atom: 1210 103K-HE3 E 2.93 ambi=2 { CE:42.2 } atom: 1202 103K-HA A 3.73 ambi=1 { CA:60 } ::sumAvg: 4.975 atom: 1202 103K-HA A 3.73 ambi=1 { CA:60 } atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } ::sumAvg: 4.49 atom: 1203 103K-HB2 B 1.8 ambi=2 { CB:31.9 } atom: 1206 103K-HG3 G 1.34 ambi=2 { CG:25.4 } ::sumAvg: 2.455 atom: 1206 103K-HG3 G 1.34 ambi=2 { CG:25.4 } atom: 1203 103K-HB2 B 1.8 ambi=2 { CB:31.9 } ::sumAvg: 2.455 atom: 1209 103K-HE2 E 2.95 ambi=2 { CE:42.2 } atom: 1203 103K-HB2 B 1.8 ambi=2 { CB:31.9 } :: atom: 1210 103K-HE3 E 2.93 ambi=2 { CE:42.2 } atom: 1203 103K-HB2 B 1.8 ambi=2 { CB:31.9 } :: atom: 1209 103K-HE2 E 2.95 ambi=2 { CE:42.2 } atom: 1204 103K-HB3 B 1.72 ambi=2 { CB:31.9 } :: atom: 1210 103K-HE3 E 2.93 ambi=2 { CE:42.2 } atom: 1204 103K-HB3 B 1.72 ambi=2 { CB:31.9 } ::sumAvg: 4.3 atom: 1203 103K-HB2 B 1.8 ambi=2 { CB:31.9 } atom: 1219 104E-HA A 4.08 ambi=1 { CA:59.5 } :: atom: 1204 103K-HB3 B 1.72 ambi=2 { CB:31.9 } atom: 1219 104E-HA A 4.08 ambi=1 { CA:59.5 } ::sumAvg: 4.36 atom: 1204 103K-HB3 B 1.72 ambi=2 { CB:31.9 } atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } ::sumAvg: 4.94 atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } atom: 1204 103K-HB3 B 1.72 ambi=2 { CB:31.9 } ::sumAvg: 4.94 atom: 1203 103K-HB2 B 1.8 ambi=2 { CB:31.9 } atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } :: atom: 1203 103K-HB2 B 1.8 ambi=2 { CB:31.9 } atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } :: atom: 1204 103K-HB3 B 1.72 ambi=2 { CB:31.9 } atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } :: atom: 1204 103K-HB3 B 1.72 ambi=2 { CB:31.9 } atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } ::sumAvg: 4.43 atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } atom: 1203 103K-HB2 B 1.8 ambi=2 { CB:31.9 } :: atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } atom: 1203 103K-HB2 B 1.8 ambi=2 { CB:31.9 } :: atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } atom: 1204 103K-HB3 B 1.72 ambi=2 { CB:31.9 } :: atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } atom: 1204 103K-HB3 B 1.72 ambi=2 { CB:31.9 } ::sumAvg: 4.43 atom: 1203 103K-HB2 B 1.8 ambi=2 { CB:31.9 } atom: 1253 107S-H N 8.06 ambi=1 { N:117 } :: atom: 1204 103K-HB3 B 1.72 ambi=2 { CB:31.9 } atom: 1253 107S-H N 8.06 ambi=1 { N:117 } ::sumAvg: 4.96 atom: 1205 103K-HG2 G 1.47 ambi=2 { CG:25.4 } atom: 1218 104E-H N 7.89 ambi=1 { N:120 } :: atom: 1206 103K-HG3 G 1.34 ambi=2 { CG:25.4 } atom: 1218 104E-H N 7.89 ambi=1 { N:120 } ::sumAvg: 4.47 atom: 1205 103K-HG2 G 1.47 ambi=2 { CG:25.4 } atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } :: atom: 1205 103K-HG2 G 1.47 ambi=2 { CG:25.4 } atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } :: atom: 1206 103K-HG3 G 1.34 ambi=2 { CG:25.4 } atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } :: atom: 1206 103K-HG3 G 1.34 ambi=2 { CG:25.4 } atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } ::sumAvg: 4.605 atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } atom: 1205 103K-HG2 G 1.47 ambi=2 { CG:25.4 } :: atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } atom: 1205 103K-HG2 G 1.47 ambi=2 { CG:25.4 } :: atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } atom: 1206 103K-HG3 G 1.34 ambi=2 { CG:25.4 } :: atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } atom: 1206 103K-HG3 G 1.34 ambi=2 { CG:25.4 } ::sumAvg: 4.605 atom: 1207 103K-QD D 1.63 ambi=2 { CD:29.4 } atom: 1218 104E-H N 7.89 ambi=1 { N:120 } ::sumAvg: 4.78 atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } atom: 1218 104E-H N 7.89 ambi=1 { N:120 } ::sumAvg: 4.81 atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } atom: 1218 104E-H N 7.89 ambi=1 { N:120 } :: atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } atom: 1218 104E-H N 7.89 ambi=1 { N:120 } ::sumAvg: 4.625 atom: 1219 104E-HA A 4.08 ambi=1 { CA:59.5 } atom: 1222 104E-HG2 G 2.33 ambi=2 { CG:36.5 } :: atom: 1219 104E-HA A 4.08 ambi=1 { CA:59.5 } atom: 1223 104E-HG3 G 2.26 ambi=2 { CG:36.5 } ::sumAvg: 2.67 atom: 1219 104E-HA A 4.08 ambi=1 { CA:59.5 } atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } ::sumAvg: 3.55 atom: 1219 104E-HA A 4.08 ambi=1 { CA:59.5 } atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } ::sumAvg: 4.805 atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } atom: 1219 104E-HA A 4.08 ambi=1 { CA:59.5 } ::sumAvg: 4.805 atom: 1219 104E-HA A 4.08 ambi=1 { CA:59.5 } atom: 1243 106H-H N 8.93 ambi=1 { N:116.7 } ::sumAvg: 4.41 atom: 1219 104E-HA A 4.08 ambi=1 { CA:59.5 } atom: 1261 108L-H N 7.95 ambi=1 { N:121.8 } ::sumAvg: 4.305 atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } atom: 1219 104E-HA A 4.08 ambi=1 { CA:59.5 } ::sumAvg: 4.395 atom: 1219 104E-HA A 4.08 ambi=1 { CA:59.5 } atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } :: atom: 1219 104E-HA A 4.08 ambi=1 { CA:59.5 } atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } ::sumAvg: 4.66 atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } atom: 1219 104E-HA A 4.08 ambi=1 { CA:59.5 } :: atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } atom: 1219 104E-HA A 4.08 ambi=1 { CA:59.5 } ::sumAvg: 4.66 atom: 1221 104E-HB3 B 1.85 ambi=2 { CB:29.1 } atom: 1222 104E-HG2 G 2.33 ambi=2 { CG:36.5 } :: atom: 1221 104E-HB3 B 1.85 ambi=2 { CB:29.1 } atom: 1223 104E-HG3 G 2.26 ambi=2 { CG:36.5 } ::sumAvg: 2.39 atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } :: atom: 1221 104E-HB3 B 1.85 ambi=2 { CB:29.1 } atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } ::sumAvg: 4.375 atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } ::sumAvg: 4.915 atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } ::sumAvg: 4.915 atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } :: atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } :: atom: 1221 104E-HB3 B 1.85 ambi=2 { CB:29.1 } atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } ::sumAvg: 3.58 atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } :: atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } :: atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } atom: 1221 104E-HB3 B 1.85 ambi=2 { CB:29.1 } ::sumAvg: 3.58 atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } :: atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } atom: 1221 104E-HB3 B 1.85 ambi=2 { CB:29.1 } ::sumAvg: 4.83 atom: 1220 104E-HB2 B 2.16 ambi=2 { CB:29.1 } atom: 1243 106H-H N 8.93 ambi=1 { N:116.7 } :: atom: 1221 104E-HB3 B 1.85 ambi=2 { CB:29.1 } atom: 1243 106H-H N 8.93 ambi=1 { N:116.7 } ::sumAvg: 4.995 atom: 1222 104E-HG2 G 2.33 ambi=2 { CG:36.5 } atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } :: atom: 1223 104E-HG3 G 2.26 ambi=2 { CG:36.5 } atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } ::sumAvg: 4.585 atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } :: atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } ::sumAvg: 4.795 atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } :: atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } atom: 1229 105I-H N 8.17 ambi=1 { N:119.5 } ::sumAvg: 4.44 atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } ::sumAvg: 3.01 atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 2.435 atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } atom: 1244 106H-HA A 4.23 ambi=1 { CA:57.6 } ::sumAvg: 4.815 atom: 1244 106H-HA A 4.23 ambi=1 { CA:57.6 } atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } ::sumAvg: 4.815 atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } atom: 1253 107S-H N 8.06 ambi=1 { N:117 } ::sumAvg: 4.36 atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } ::sumAvg: 3.575 atom: 1278 109I-HG12 G1 1.06 ambi=2 { CG1:29.5 } atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } :: atom: 1279 109I-HG13 G1 2.19 ambi=2 { CG1:29.5 } atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } ::sumAvg: 4.095 atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 1230 105I-HA A 3.52 ambi=1 { CA:66.7 } ::sumAvg: 4.355 atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } ::sumAvg: 2.475 atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } ::sumAvg: 2.475 atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } ::sumAvg: 2.335 atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } ::sumAvg: 2.335 atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } atom: 1244 106H-HA A 4.23 ambi=1 { CA:57.6 } ::sumAvg: 4.425 atom: 1244 106H-HA A 4.23 ambi=1 { CA:57.6 } atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } ::sumAvg: 4.425 atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } ::sumAvg: 3.845 atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } ::sumAvg: 3.95 atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 1231 105I-HB B 1.64 ambi=1 { CB:37.7 } ::sumAvg: 3.95 atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 2.305 atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } ::sumAvg: 2.305 atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } ::sumAvg: 2.14 atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } :: atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } ::sumAvg: 4.765 atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } :: atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } atom: 1233 105I-HG13 G1 0.68 ambi=2 { CG1:30.6 } ::sumAvg: 4.765 atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } :: atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } ::sumAvg: 3.83 atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } :: atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } ::sumAvg: 3.83 atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 1232 105I-HG12 G1 1.76 ambi=2 { CG1:30.6 } ::sumAvg: 4.86 atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } atom: 1244 106H-HA A 4.23 ambi=1 { CA:57.6 } ::sumAvg: 3.285 atom: 1244 106H-HA A 4.23 ambi=1 { CA:57.6 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 3.285 atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } atom: 1261 108L-H N 7.95 ambi=1 { N:121.8 } ::sumAvg: 4.5 atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } :: atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 3.655 atom: 1276 109I-HA A 3.83 ambi=1 { CA:65.8 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 4.845 atom: 1277 109I-HB B 2.2 ambi=1 { CB:38.6 } atom: 1234 105I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 3.835 atom: 1235 105I-HD1 D1 0.76 ambi=1 { CD1:13.7 } atom: 1243 106H-H N 8.93 ambi=1 { N:116.7 } ::sumAvg: 4.625 atom: 1255 107S-HB2 B 4.17 ambi=2 { CB:62.5 } atom: 1243 106H-H N 8.93 ambi=1 { N:116.7 } :: atom: 1256 107S-HB3 B 4.04 ambi=2 { CB:62.5 } atom: 1243 106H-H N 8.93 ambi=1 { N:116.7 } ::sumAvg: 4.885 atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 1243 106H-H N 8.93 ambi=1 { N:116.7 } ::sumAvg: 4.215 atom: 1244 106H-HA A 4.23 ambi=1 { CA:57.6 } atom: 1261 108L-H N 7.95 ambi=1 { N:121.8 } ::sumAvg: 4.43 atom: 1278 109I-HG12 G1 1.06 ambi=2 { CG1:29.5 } atom: 1244 106H-HA A 4.23 ambi=1 { CA:57.6 } :: atom: 1279 109I-HG13 G1 2.19 ambi=2 { CG1:29.5 } atom: 1244 106H-HA A 4.23 ambi=1 { CA:57.6 } ::sumAvg: 3.8 atom: 1244 106H-HA A 4.23 ambi=1 { CA:57.6 } atom: 1289 110E-H N 7.96 ambi=1 { N:120.8 } ::sumAvg: 3.935 atom: 1291 110E-QB B 2.2 ambi=2 { CB:28.2 } atom: 1244 106H-HA A 4.23 ambi=1 { CA:57.6 } ::sumAvg: 4.71 atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } :: atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } ::sumAvg: 3.64 atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } atom: 1254 107S-HA A 4.31 ambi=1 { CA:62.2 } :: atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } atom: 1254 107S-HA A 4.31 ambi=1 { CA:62.2 } ::sumAvg: 4.425 atom: 1254 107S-HA A 4.31 ambi=1 { CA:62.2 } atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } :: atom: 1254 107S-HA A 4.31 ambi=1 { CA:62.2 } atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } ::sumAvg: 4.425 atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } atom: 1255 107S-HB2 B 4.17 ambi=2 { CB:62.5 } :: atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } atom: 1256 107S-HB3 B 4.04 ambi=2 { CB:62.5 } :: atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } atom: 1255 107S-HB2 B 4.17 ambi=2 { CB:62.5 } :: atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } atom: 1256 107S-HB3 B 4.04 ambi=2 { CB:62.5 } ::sumAvg: 4.82 atom: 1255 107S-HB2 B 4.17 ambi=2 { CB:62.5 } atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } :: atom: 1256 107S-HB3 B 4.04 ambi=2 { CB:62.5 } atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } :: atom: 1255 107S-HB2 B 4.17 ambi=2 { CB:62.5 } atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } :: atom: 1256 107S-HB3 B 4.04 ambi=2 { CB:62.5 } atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } ::sumAvg: 4.82 atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } atom: 1277 109I-HB B 2.2 ambi=1 { CB:38.6 } :: atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } atom: 1277 109I-HB B 2.2 ambi=1 { CB:38.6 } ::sumAvg: 4.535 atom: 1277 109I-HB B 2.2 ambi=1 { CB:38.6 } atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } :: atom: 1277 109I-HB B 2.2 ambi=1 { CB:38.6 } atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } ::sumAvg: 4.535 atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } :: atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } ::sumAvg: 4.685 atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } :: atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } ::sumAvg: 4.685 atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } atom: 1289 110E-H N 7.96 ambi=1 { N:120.8 } :: atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } atom: 1289 110E-H N 7.96 ambi=1 { N:120.8 } ::sumAvg: 4.835 atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } atom: 1291 110E-QB B 2.2 ambi=2 { CB:28.2 } :: atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } atom: 1291 110E-QB B 2.2 ambi=2 { CB:28.2 } ::sumAvg: 4.435 atom: 1291 110E-QB B 2.2 ambi=2 { CB:28.2 } atom: 1245 106H-HB2 B 3.43 ambi=2 { CB:28.4 } :: atom: 1291 110E-QB B 2.2 ambi=2 { CB:28.2 } atom: 1246 106H-HB3 B 3.26 ambi=2 { CB:28.4 } ::sumAvg: 4.435 atom: 1277 109I-HB B 2.2 ambi=1 { CB:38.6 } atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } ::sumAvg: 4.18 atom: 1278 109I-HG12 G1 1.06 ambi=2 { CG1:29.5 } atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } :: atom: 1279 109I-HG13 G1 2.19 ambi=2 { CG1:29.5 } atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } ::sumAvg: 4.785 atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } atom: 1247 106H-HD2 D2 5.67 ambi=1 { CD2:115.1 } ::sumAvg: 4.63 atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } atom: 1253 107S-H N 8.06 ambi=1 { N:117 } :: atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } atom: 1253 107S-H N 8.06 ambi=1 { N:117 } ::sumAvg: 4.775 atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } atom: 1253 107S-H N 8.06 ambi=1 { N:117 } ::sumAvg: 4.44 atom: 1254 107S-HA A 4.31 ambi=1 { CA:62.2 } atom: 1275 109I-H N 8.73 ambi=1 { N:120.2 } ::sumAvg: 4.445 atom: 1254 107S-HA A 4.31 ambi=1 { CA:62.2 } atom: 1293 110E-HG2 G 2.5 ambi=2 { CG:34.5 } :: atom: 1254 107S-HA A 4.31 ambi=1 { CA:62.2 } atom: 1294 110E-HG3 G 2.35 ambi=2 { CG:34.5 } ::sumAvg: 4.925 atom: 1255 107S-HB2 B 4.17 ambi=2 { CB:62.5 } atom: 1261 108L-H N 7.95 ambi=1 { N:121.8 } :: atom: 1256 107S-HB3 B 4.04 ambi=2 { CB:62.5 } atom: 1261 108L-H N 7.95 ambi=1 { N:121.8 } ::sumAvg: 2.61 atom: 1291 110E-QB B 2.2 ambi=2 { CB:28.2 } atom: 1255 107S-HB2 B 4.17 ambi=2 { CB:62.5 } :: atom: 1291 110E-QB B 2.2 ambi=2 { CB:28.2 } atom: 1256 107S-HB3 B 4.04 ambi=2 { CB:62.5 } ::sumAvg: 4.59 atom: 1278 109I-HG12 G1 1.06 ambi=2 { CG1:29.5 } atom: 1261 108L-H N 7.95 ambi=1 { N:121.8 } :: atom: 1279 109I-HG13 G1 2.19 ambi=2 { CG1:29.5 } atom: 1261 108L-H N 7.95 ambi=1 { N:121.8 } ::sumAvg: 4.515 atom: 1262 108L-HA A 4.18 ambi=1 { CA:57.9 } atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } :: atom: 1262 108L-HA A 4.18 ambi=1 { CA:57.9 } atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } ::sumAvg: 2.52 atom: 1262 108L-HA A 4.18 ambi=1 { CA:57.9 } atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } ::sumAvg: 2.935 atom: 1262 108L-HA A 4.18 ambi=1 { CA:57.9 } atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } :: atom: 1262 108L-HA A 4.18 ambi=1 { CA:57.9 } atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } ::sumAvg: 2.11 atom: 1262 108L-HA A 4.18 ambi=1 { CA:57.9 } atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } ::sumAvg: 4.2 atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } atom: 1276 109I-HA A 3.83 ambi=1 { CA:65.8 } :: atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } atom: 1276 109I-HA A 3.83 ambi=1 { CA:65.8 } ::sumAvg: 4.425 atom: 1276 109I-HA A 3.83 ambi=1 { CA:65.8 } atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } :: atom: 1276 109I-HA A 3.83 ambi=1 { CA:65.8 } atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } ::sumAvg: 4.425 atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } :: atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } ::sumAvg: 4.77 atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } :: atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } ::sumAvg: 4.77 atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } :: atom: 1263 108L-HB2 B 1.88 ambi=2 { CB:42.5 } atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } :: atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } :: atom: 1264 108L-HB3 B 1.95 ambi=2 { CB:42.5 } atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } ::sumAvg: 4.62 atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } atom: 1266 108L-HD1 D1 0.69 ambi=2 { CD1:26.6 } :: atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } atom: 1267 108L-HD2 D2 0.83 ambi=2 { CD2:22.8 } ::sumAvg: 2.135 atom: 1265 108L-HG G 1.87 ambi=1 { CG:26.6 } atom: 1275 109I-H N 8.73 ambi=1 { N:120.2 } ::sumAvg: 4.335 atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 1275 109I-H N 8.73 ambi=1 { N:120.2 } ::sumAvg: 3.515 atom: 1291 110E-QB B 2.2 ambi=2 { CB:28.2 } atom: 1275 109I-H N 8.73 ambi=1 { N:120.2 } ::sumAvg: 4.445 atom: 1281 109I-HD1 D1 1.03 ambi=1 { CD1:16.6 } atom: 1276 109I-HA A 3.83 ambi=1 { CA:65.8 } ::sumAvg: 3.81 atom: 1290 110E-HA A 4.28 ambi=1 { CA:58.8 } atom: 1276 109I-HA A 3.83 ambi=1 { CA:65.8 } ::sumAvg: 4.815 atom: 1276 109I-HA A 3.83 ambi=1 { CA:65.8 } atom: 1300 111D-H N 8.29 ambi=1 { N:119.2 } ::sumAvg: 4.385 atom: 1276 109I-HA A 3.83 ambi=1 { CA:65.8 } atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } ::sumAvg: 3.945 atom: 1278 109I-HG12 G1 1.06 ambi=2 { CG1:29.5 } atom: 1289 110E-H N 7.96 ambi=1 { N:120.8 } :: atom: 1279 109I-HG13 G1 2.19 ambi=2 { CG1:29.5 } atom: 1289 110E-H N 7.96 ambi=1 { N:120.8 } ::sumAvg: 4.365 atom: 1278 109I-HG12 G1 1.06 ambi=2 { CG1:29.5 } atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } :: atom: 1278 109I-HG12 G1 1.06 ambi=2 { CG1:29.5 } atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } :: atom: 1279 109I-HG13 G1 2.19 ambi=2 { CG1:29.5 } atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } :: atom: 1279 109I-HG13 G1 2.19 ambi=2 { CG1:29.5 } atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } ::sumAvg: 4.905 atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } atom: 1278 109I-HG12 G1 1.06 ambi=2 { CG1:29.5 } :: atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } atom: 1278 109I-HG12 G1 1.06 ambi=2 { CG1:29.5 } :: atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } atom: 1279 109I-HG13 G1 2.19 ambi=2 { CG1:29.5 } :: atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } atom: 1279 109I-HG13 G1 2.19 ambi=2 { CG1:29.5 } ::sumAvg: 4.905 atom: 1291 110E-QB B 2.2 ambi=2 { CB:28.2 } atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } ::sumAvg: 4.065 atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } ::sumAvg: 4.415 atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } :: atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } ::sumAvg: 4.015 atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } ::sumAvg: 3.73 atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } ::sumAvg: 4.715 atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } ::sumAvg: 4.715 atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } atom: 1318 113F-HB2 B 2.02 ambi=2 { CB:39.1 } :: atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } atom: 1319 113F-HB3 B 3.1 ambi=2 { CB:39.1 } ::sumAvg: 3.53 atom: 1318 113F-HB2 B 2.02 ambi=2 { CB:39.1 } atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } :: atom: 1319 113F-HB3 B 3.1 ambi=2 { CB:39.1 } atom: 1280 109I-HG2 G2 1.24 ambi=1 { CG2:18.7 } ::sumAvg: 3.53 atom: 1293 110E-HG2 G 2.5 ambi=2 { CG:34.5 } atom: 1289 110E-H N 7.96 ambi=1 { N:120.8 } :: atom: 1294 110E-HG3 G 2.35 ambi=2 { CG:34.5 } atom: 1289 110E-H N 7.96 ambi=1 { N:120.8 } ::sumAvg: 4.415 atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } atom: 1289 110E-H N 7.96 ambi=1 { N:120.8 } :: atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } atom: 1289 110E-H N 7.96 ambi=1 { N:120.8 } ::sumAvg: 4.84 atom: 1293 110E-HG2 G 2.5 ambi=2 { CG:34.5 } atom: 1290 110E-HA A 4.28 ambi=1 { CA:58.8 } :: atom: 1294 110E-HG3 G 2.35 ambi=2 { CG:34.5 } atom: 1290 110E-HA A 4.28 ambi=1 { CA:58.8 } ::sumAvg: 2.66 atom: 1290 110E-HA A 4.28 ambi=1 { CA:58.8 } atom: 1300 111D-H N 8.29 ambi=1 { N:119.2 } ::sumAvg: 3.545 atom: 1290 110E-HA A 4.28 ambi=1 { CA:58.8 } atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } ::sumAvg: 4.445 atom: 1290 110E-HA A 4.28 ambi=1 { CA:58.8 } atom: 1328 114Q-HG2 G 2.72 ambi=2 { CG:32.9 } :: atom: 1290 110E-HA A 4.28 ambi=1 { CA:58.8 } atom: 1329 114Q-HG3 G 2.87 ambi=2 { CG:32.9 } ::sumAvg: 4.54 atom: 1328 114Q-HG2 G 2.72 ambi=2 { CG:32.9 } atom: 1290 110E-HA A 4.28 ambi=1 { CA:58.8 } :: atom: 1329 114Q-HG3 G 2.87 ambi=2 { CG:32.9 } atom: 1290 110E-HA A 4.28 ambi=1 { CA:58.8 } ::sumAvg: 4.54 atom: 1291 110E-QB B 2.2 ambi=2 { CB:28.2 } atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } :: atom: 1291 110E-QB B 2.2 ambi=2 { CB:28.2 } atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } ::sumAvg: 4.765 atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } atom: 1291 110E-QB B 2.2 ambi=2 { CB:28.2 } :: atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } atom: 1291 110E-QB B 2.2 ambi=2 { CB:28.2 } ::sumAvg: 4.765 atom: 1291 110E-QB B 2.2 ambi=2 { CB:28.2 } atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } ::sumAvg: 4.775 atom: 1291 110E-QB B 2.2 ambi=2 { CB:28.2 } atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } ::sumAvg: 4.81 atom: 1319 113F-HB3 B 3.1 ambi=2 { CB:39.1 } atom: 1291 110E-QB B 2.2 ambi=2 { CB:28.2 } ::sumAvg: 4.485 atom: 1293 110E-HG2 G 2.5 ambi=2 { CG:34.5 } atom: 1300 111D-H N 8.29 ambi=1 { N:119.2 } :: atom: 1294 110E-HG3 G 2.35 ambi=2 { CG:34.5 } atom: 1300 111D-H N 8.29 ambi=1 { N:119.2 } ::sumAvg: 3.945 atom: 1293 110E-HG2 G 2.5 ambi=2 { CG:34.5 } atom: 1301 111D-HA A 4.47 ambi=1 { CA:57.1 } :: atom: 1294 110E-HG3 G 2.35 ambi=2 { CG:34.5 } atom: 1301 111D-HA A 4.47 ambi=1 { CA:57.1 } ::sumAvg: 3.925 atom: 1301 111D-HA A 4.47 ambi=1 { CA:57.1 } atom: 1293 110E-HG2 G 2.5 ambi=2 { CG:34.5 } :: atom: 1301 111D-HA A 4.47 ambi=1 { CA:57.1 } atom: 1294 110E-HG3 G 2.35 ambi=2 { CG:34.5 } ::sumAvg: 3.925 atom: 1293 110E-HG2 G 2.5 ambi=2 { CG:34.5 } atom: 1318 113F-HB2 B 2.02 ambi=2 { CB:39.1 } :: atom: 1293 110E-HG2 G 2.5 ambi=2 { CG:34.5 } atom: 1319 113F-HB3 B 3.1 ambi=2 { CB:39.1 } :: atom: 1294 110E-HG3 G 2.35 ambi=2 { CG:34.5 } atom: 1319 113F-HB3 B 3.1 ambi=2 { CB:39.1 } ::sumAvg: 3.8 atom: 1318 113F-HB2 B 2.02 ambi=2 { CB:39.1 } atom: 1293 110E-HG2 G 2.5 ambi=2 { CG:34.5 } :: atom: 1319 113F-HB3 B 3.1 ambi=2 { CB:39.1 } atom: 1293 110E-HG2 G 2.5 ambi=2 { CG:34.5 } :: atom: 1319 113F-HB3 B 3.1 ambi=2 { CB:39.1 } atom: 1294 110E-HG3 G 2.35 ambi=2 { CG:34.5 } ::sumAvg: 3.8 atom: 1293 110E-HG2 G 2.5 ambi=2 { CG:34.5 } atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } :: atom: 1294 110E-HG3 G 2.35 ambi=2 { CG:34.5 } atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } ::sumAvg: 4.405 atom: 1294 110E-HG3 G 2.35 ambi=2 { CG:34.5 } atom: 1329 114Q-HG3 G 2.87 ambi=2 { CG:32.9 } ::sumAvg: 3.255 atom: 1329 114Q-HG3 G 2.87 ambi=2 { CG:32.9 } atom: 1294 110E-HG3 G 2.35 ambi=2 { CG:34.5 } ::sumAvg: 3.255 atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } atom: 1300 111D-H N 8.29 ambi=1 { N:119.2 } :: atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } atom: 1300 111D-H N 8.29 ambi=1 { N:119.2 } ::sumAvg: 4.955 atom: 1301 111D-HA A 4.47 ambi=1 { CA:57.1 } atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } ::sumAvg: 4.305 atom: 1328 114Q-HG2 G 2.72 ambi=2 { CG:32.9 } atom: 1301 111D-HA A 4.47 ambi=1 { CA:57.1 } :: atom: 1329 114Q-HG3 G 2.87 ambi=2 { CG:32.9 } atom: 1301 111D-HA A 4.47 ambi=1 { CA:57.1 } ::sumAvg: 3.54 atom: 1301 111D-HA A 4.47 ambi=1 { CA:57.1 } atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } :: atom: 1301 111D-HA A 4.47 ambi=1 { CA:57.1 } atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } ::sumAvg: 4.73 atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } atom: 1301 111D-HA A 4.47 ambi=1 { CA:57.1 } :: atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } atom: 1301 111D-HA A 4.47 ambi=1 { CA:57.1 } ::sumAvg: 4.73 atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } :: atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } ::sumAvg: 4.3 atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } :: atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } :: atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } :: atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } ::sumAvg: 4.675 atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } :: atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } ::sumAvg: 4.955 atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } :: atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } ::sumAvg: 4.535 atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } :: atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } ::sumAvg: 4.535 atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } atom: 1343 115L-HG G 1.77 ambi=1 { CG:26.8 } :: atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } atom: 1343 115L-HG G 1.77 ambi=1 { CG:26.8 } ::sumAvg: 4.94 atom: 1343 115L-HG G 1.77 ambi=1 { CG:26.8 } atom: 1302 111D-HB2 B 3.02 ambi=2 { CB:39.3 } :: atom: 1343 115L-HG G 1.77 ambi=1 { CG:26.8 } atom: 1303 111D-HB3 B 2.79 ambi=2 { CB:39.3 } ::sumAvg: 4.94 atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } ::sumAvg: 2.87 atom: 1318 113F-HB2 B 2.02 ambi=2 { CB:39.1 } atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } :: atom: 1319 113F-HB3 B 3.1 ambi=2 { CB:39.1 } atom: 1308 112S-H N 7.8 ambi=1 { N:114.7 } ::sumAvg: 4.9 atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } ::sumAvg: 3.52 atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } ::sumAvg: 4.84 atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } ::sumAvg: 4.84 atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } ::sumAvg: 4.38 atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } ::sumAvg: 4.94 atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } ::sumAvg: 4.94 atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } :: atom: 1342 115L-HB3 B 1.44 ambi=2 { CB:43.2 } atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } ::sumAvg: 2.6 atom: 1343 115L-HG G 1.77 ambi=1 { CG:26.8 } atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } ::sumAvg: 3.85 atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } atom: 1353 116T-H N 7.24 ambi=1 { N:104.9 } ::sumAvg: 4.41 atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } atom: 1309 112S-HA A 4.2 ambi=1 { CA:61.2 } ::sumAvg: 3.75 atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } :: atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } ::sumAvg: 4.545 atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } :: atom: 1342 115L-HB3 B 1.44 ambi=2 { CB:43.2 } atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } :: atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } :: atom: 1342 115L-HB3 B 1.44 ambi=2 { CB:43.2 } atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } ::sumAvg: 4.445 atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } :: atom: 1310 112S-HB2 B 4.52 ambi=2 { CB:64.2 } atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } :: atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } :: atom: 1311 112S-HB3 B 4.26 ambi=2 { CB:64.2 } atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } ::sumAvg: 4.065 atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } ::sumAvg: 4.68 atom: 1328 114Q-HG2 G 2.72 ambi=2 { CG:32.9 } atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } :: atom: 1329 114Q-HG3 G 2.87 ambi=2 { CG:32.9 } atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } ::sumAvg: 4.705 atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } atom: 1316 113F-H N 9.16 ambi=1 { N:121.4 } ::sumAvg: 4.71 atom: 1318 113F-HB2 B 2.02 ambi=2 { CB:39.1 } atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } ::sumAvg: 2.45 atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } ::sumAvg: 3.56 atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } atom: 1325 114Q-HA A 4 ambi=1 { CA:58.3 } ::sumAvg: 4.805 atom: 1325 114Q-HA A 4 ambi=1 { CA:58.3 } atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } ::sumAvg: 4.805 atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } atom: 1339 115L-H N 8.57 ambi=1 { N:119.8 } ::sumAvg: 4.29 atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } ::sumAvg: 4.55 atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } ::sumAvg: 3.535 atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } atom: 1317 113F-HA A 3.21 ambi=1 { CA:62.9 } ::sumAvg: 3.535 atom: 1318 113F-HB2 B 2.02 ambi=2 { CB:39.1 } atom: 1325 114Q-HA A 4 ambi=1 { CA:58.3 } :: atom: 1319 113F-HB3 B 3.1 ambi=2 { CB:39.1 } atom: 1325 114Q-HA A 4 ambi=1 { CA:58.3 } ::sumAvg: 4.425 atom: 1319 113F-HB3 B 3.1 ambi=2 { CB:39.1 } atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } ::sumAvg: 4.745 atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } atom: 1319 113F-HB3 B 3.1 ambi=2 { CB:39.1 } ::sumAvg: 4.745 atom: 1318 113F-HB2 B 2.02 ambi=2 { CB:39.1 } atom: 1328 114Q-HG2 G 2.72 ambi=2 { CG:32.9 } :: atom: 1318 113F-HB2 B 2.02 ambi=2 { CB:39.1 } atom: 1329 114Q-HG3 G 2.87 ambi=2 { CG:32.9 } ::sumAvg: 3.68 atom: 1328 114Q-HG2 G 2.72 ambi=2 { CG:32.9 } atom: 1318 113F-HB2 B 2.02 ambi=2 { CB:39.1 } :: atom: 1329 114Q-HG3 G 2.87 ambi=2 { CG:32.9 } atom: 1318 113F-HB2 B 2.02 ambi=2 { CB:39.1 } ::sumAvg: 3.68 atom: 1318 113F-HB2 B 2.02 ambi=2 { CB:39.1 } atom: 1356 116T-HG1 G1 5.35 ambi=1 {attached_atom is not_assigned} :: atom: 1319 113F-HB3 B 3.1 ambi=2 { CB:39.1 } atom: 1356 116T-HG1 G1 5.35 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.74 atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } :: atom: 1342 115L-HB3 B 1.44 ambi=2 { CB:43.2 } atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } ::sumAvg: 4.715 atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } :: atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } ::sumAvg: 4.73 atom: 1365 117R-QB B 1.5 ambi=2 { CB:31.1 } atom: 1324 114Q-H N 8.87 ambi=1 { N:116.8 } ::sumAvg: 4.795 atom: 1325 114Q-HA A 4 ambi=1 { CA:58.3 } atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } ::sumAvg: 2.375 atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } atom: 1325 114Q-HA A 4 ambi=1 { CA:58.3 } ::sumAvg: 2.375 atom: 1325 114Q-HA A 4 ambi=1 { CA:58.3 } atom: 1330 114Q-HE21 E2 8.14 ambi=1 { NE2:112.6 } :: atom: 1325 114Q-HA A 4 ambi=1 { CA:58.3 } atom: 1331 114Q-HE22 E2 6.98 ambi=1 { NE2:112.6 } ::sumAvg: 4.38 atom: 1325 114Q-HA A 4 ambi=1 { CA:58.3 } atom: 1353 116T-H N 7.24 ambi=1 { N:104.9 } ::sumAvg: 3.965 atom: 1364 117R-HA A 3.06 ambi=1 { CA:55.9 } atom: 1325 114Q-HA A 4 ambi=1 { CA:58.3 } ::sumAvg: 4.535 atom: 1367 117R-HG2 G 1.3 ambi=2 { CG:26.6 } atom: 1325 114Q-HA A 4 ambi=1 { CA:58.3 } :: atom: 1368 117R-HG3 G 1.4 ambi=2 { CG:26.6 } atom: 1325 114Q-HA A 4 ambi=1 { CA:58.3 } ::sumAvg: 3.545 atom: 1325 114Q-HA A 4 ambi=1 { CA:58.3 } atom: 1371 117R-HE E 7.36 ambi=1 { NE:84.3 } ::sumAvg: 4.85 atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } atom: 1330 114Q-HE21 E2 8.14 ambi=1 { NE2:112.6 } :: atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } atom: 1331 114Q-HE22 E2 6.98 ambi=1 { NE2:112.6 } ::sumAvg: 3.965 atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } atom: 1340 115L-HA A 4.09 ambi=1 { CA:57.3 } ::sumAvg: 3.965 atom: 1340 115L-HA A 4.09 ambi=1 { CA:57.3 } atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } ::sumAvg: 3.965 atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } :: atom: 1342 115L-HB3 B 1.44 ambi=2 { CB:43.2 } atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } ::sumAvg: 4.635 atom: 1343 115L-HG G 1.77 ambi=1 { CG:26.8 } atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } ::sumAvg: 4.3 atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } atom: 1353 116T-H N 7.24 ambi=1 { N:104.9 } ::sumAvg: 4.48 atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } atom: 1363 117R-H N 6.84 ambi=1 { N:120.9 } ::sumAvg: 4.62 atom: 1365 117R-QB B 1.5 ambi=2 { CB:31.1 } atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } ::sumAvg: 4.215 atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } atom: 1369 117R-HD2 D 3.1 ambi=2 { CD:44.1 } :: atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } atom: 1370 117R-HD3 D 3.04 ambi=2 { CD:44.1 } ::sumAvg: 4.4 atom: 1369 117R-HD2 D 3.1 ambi=2 { CD:44.1 } atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } :: atom: 1370 117R-HD3 D 3.04 ambi=2 { CD:44.1 } atom: 1326 114Q-QB B 2.23 ambi=2 { CB:27.6 } ::sumAvg: 4.4 atom: 1328 114Q-HG2 G 2.72 ambi=2 { CG:32.9 } atom: 1339 115L-H N 8.57 ambi=1 { N:119.8 } :: atom: 1329 114Q-HG3 G 2.87 ambi=2 { CG:32.9 } atom: 1339 115L-H N 8.57 ambi=1 { N:119.8 } ::sumAvg: 4.455 atom: 1328 114Q-HG2 G 2.72 ambi=2 { CG:32.9 } atom: 1365 117R-QB B 1.5 ambi=2 { CB:31.1 } :: atom: 1329 114Q-HG3 G 2.87 ambi=2 { CG:32.9 } atom: 1365 117R-QB B 1.5 ambi=2 { CB:31.1 } ::sumAvg: 4.35 atom: 1365 117R-QB B 1.5 ambi=2 { CB:31.1 } atom: 1328 114Q-HG2 G 2.72 ambi=2 { CG:32.9 } :: atom: 1365 117R-QB B 1.5 ambi=2 { CB:31.1 } atom: 1329 114Q-HG3 G 2.87 ambi=2 { CG:32.9 } ::sumAvg: 4.35 atom: 1365 117R-QB B 1.5 ambi=2 { CB:31.1 } atom: 1339 115L-H N 8.57 ambi=1 { N:119.8 } ::sumAvg: 4.89 atom: 1340 115L-HA A 4.09 ambi=1 { CA:57.3 } atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } :: atom: 1340 115L-HA A 4.09 ambi=1 { CA:57.3 } atom: 1342 115L-HB3 B 1.44 ambi=2 { CB:43.2 } ::sumAvg: 2.585 atom: 1340 115L-HA A 4.09 ambi=1 { CA:57.3 } atom: 1343 115L-HG G 1.77 ambi=1 { CG:26.8 } ::sumAvg: 2.895 atom: 1343 115L-HG G 1.77 ambi=1 { CG:26.8 } atom: 1340 115L-HA A 4.09 ambi=1 { CA:57.3 } ::sumAvg: 2.895 atom: 1340 115L-HA A 4.09 ambi=1 { CA:57.3 } atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } :: atom: 1340 115L-HA A 4.09 ambi=1 { CA:57.3 } atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } ::sumAvg: 1.95 atom: 1340 115L-HA A 4.09 ambi=1 { CA:57.3 } atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } ::sumAvg: 4.425 atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } atom: 1340 115L-HA A 4.09 ambi=1 { CA:57.3 } ::sumAvg: 4.425 atom: 1340 115L-HA A 4.09 ambi=1 { CA:57.3 } atom: 1363 117R-H N 6.84 ambi=1 { N:120.9 } ::sumAvg: 4.03 atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } atom: 1354 116T-HA A 4.27 ambi=1 { CA:60.7 } :: atom: 1342 115L-HB3 B 1.44 ambi=2 { CB:43.2 } atom: 1354 116T-HA A 4.27 ambi=1 { CA:60.7 } ::sumAvg: 4.48 atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } atom: 1356 116T-HG1 G1 5.35 ambi=1 {attached_atom is not_assigned} :: atom: 1342 115L-HB3 B 1.44 ambi=2 { CB:43.2 } atom: 1356 116T-HG1 G1 5.35 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.95 atom: 1341 115L-HB2 B 1.8 ambi=2 { CB:43.2 } atom: 1363 117R-H N 6.84 ambi=1 { N:120.9 } :: atom: 1342 115L-HB3 B 1.44 ambi=2 { CB:43.2 } atom: 1363 117R-H N 6.84 ambi=1 { N:120.9 } ::sumAvg: 4.88 atom: 1343 115L-HG G 1.77 ambi=1 { CG:26.8 } atom: 1353 116T-H N 7.24 ambi=1 { N:104.9 } ::sumAvg: 4.82 atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } atom: 1353 116T-H N 7.24 ambi=1 { N:104.9 } :: atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } atom: 1353 116T-H N 7.24 ambi=1 { N:104.9 } ::sumAvg: 4.395 atom: 1344 115L-HD1 D1 0.67 ambi=2 { CD1:24.9 } atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } :: atom: 1345 115L-HD2 D2 0.73 ambi=2 { CD2:23.9 } atom: 1357 116T-HG2 G2 1.42 ambi=1 { CG2:22.6 } ::sumAvg: 4.09 atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } atom: 1353 116T-H N 7.24 ambi=1 { N:104.9 } ::sumAvg: 3.77 atom: 1365 117R-QB B 1.5 ambi=2 { CB:31.1 } atom: 1353 116T-H N 7.24 ambi=1 { N:104.9 } ::sumAvg: 4.045 atom: 1354 116T-HA A 4.27 ambi=1 { CA:60.7 } atom: 1364 117R-HA A 3.06 ambi=1 { CA:55.9 } ::sumAvg: 4.84 atom: 1364 117R-HA A 3.06 ambi=1 { CA:55.9 } atom: 1354 116T-HA A 4.27 ambi=1 { CA:60.7 } ::sumAvg: 4.84 atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } atom: 1363 117R-H N 6.84 ambi=1 { N:120.9 } ::sumAvg: 4.325 atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } atom: 1364 117R-HA A 3.06 ambi=1 { CA:55.9 } ::sumAvg: 4.875 atom: 1364 117R-HA A 3.06 ambi=1 { CA:55.9 } atom: 1355 116T-HB B 4.46 ambi=1 { CB:70.8 } ::sumAvg: 4.875 atom: 1364 117R-HA A 3.06 ambi=1 { CA:55.9 } atom: 1356 116T-HG1 G1 5.35 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.26 atom: 1365 117R-QB B 1.5 ambi=2 { CB:31.1 } atom: 1356 116T-HG1 G1 5.35 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.915 atom: 1369 117R-HD2 D 3.1 ambi=2 { CD:44.1 } atom: 1363 117R-H N 6.84 ambi=1 { N:120.9 } :: atom: 1370 117R-HD3 D 3.04 ambi=2 { CD:44.1 } atom: 1363 117R-H N 6.84 ambi=1 { N:120.9 } ::sumAvg: 4.655 atom: 1381 118L-HA A 4.1 ambi=1 { CA:55.3 } atom: 1364 117R-HA A 3.06 ambi=1 { CA:55.9 } ::sumAvg: 4.475 atom: 1382 118L-HB2 B 1.5 ambi=2 { CB:42.4 } atom: 1364 117R-HA A 3.06 ambi=1 { CA:55.9 } :: atom: 1383 118L-HB3 B 1.31 ambi=2 { CB:42.4 } atom: 1364 117R-HA A 3.06 ambi=1 { CA:55.9 } ::sumAvg: 4.695 atom: 1364 117R-HA A 3.06 ambi=1 { CA:55.9 } atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } :: atom: 1364 117R-HA A 3.06 ambi=1 { CA:55.9 } atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } ::sumAvg: 4.37 atom: 1396 119E-QB B 1.81 ambi=2 { CB:30.3 } atom: 1381 118L-HA A 4.1 ambi=1 { CA:55.3 } ::sumAvg: 4.665 atom: 1398 119E-HG2 G 2.17 ambi=2 { CG:35.8 } atom: 1381 118L-HA A 4.1 ambi=1 { CA:55.3 } :: atom: 1399 119E-HG3 G 2.1 ambi=2 { CG:35.8 } atom: 1381 118L-HA A 4.1 ambi=1 { CA:55.3 } ::sumAvg: 4.38 atom: 1382 118L-HB2 B 1.5 ambi=2 { CB:42.4 } atom: 1395 119E-HA A 4.16 ambi=1 { CA:56 } :: atom: 1383 118L-HB3 B 1.31 ambi=2 { CB:42.4 } atom: 1395 119E-HA A 4.16 ambi=1 { CA:56 } ::sumAvg: 4.605 atom: 1383 118L-HB3 B 1.31 ambi=2 { CB:42.4 } atom: 1396 119E-QB B 1.81 ambi=2 { CB:30.3 } ::sumAvg: 4.97 atom: 1396 119E-QB B 1.81 ambi=2 { CB:30.3 } atom: 1383 118L-HB3 B 1.31 ambi=2 { CB:42.4 } ::sumAvg: 4.97 atom: 1398 119E-HG2 G 2.17 ambi=2 { CG:35.8 } atom: 1382 118L-HB2 B 1.5 ambi=2 { CB:42.4 } :: atom: 1399 119E-HG3 G 2.1 ambi=2 { CG:35.8 } atom: 1382 118L-HB2 B 1.5 ambi=2 { CB:42.4 } :: atom: 1398 119E-HG2 G 2.17 ambi=2 { CG:35.8 } atom: 1383 118L-HB3 B 1.31 ambi=2 { CB:42.4 } :: atom: 1399 119E-HG3 G 2.1 ambi=2 { CG:35.8 } atom: 1383 118L-HB3 B 1.31 ambi=2 { CB:42.4 } ::sumAvg: 4.35 atom: 1382 118L-HB2 B 1.5 ambi=2 { CB:42.4 } atom: 1405 120H-H N 8.52 ambi=1 { N:120.1 } :: atom: 1383 118L-HB3 B 1.31 ambi=2 { CB:42.4 } atom: 1405 120H-H N 8.52 ambi=1 { N:120.1 } ::sumAvg: 4.46 atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } atom: 1395 119E-HA A 4.16 ambi=1 { CA:56 } :: atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } atom: 1395 119E-HA A 4.16 ambi=1 { CA:56 } ::sumAvg: 4.795 atom: 1395 119E-HA A 4.16 ambi=1 { CA:56 } atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } :: atom: 1395 119E-HA A 4.16 ambi=1 { CA:56 } atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } ::sumAvg: 4.795 atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } atom: 1396 119E-QB B 1.81 ambi=2 { CB:30.3 } :: atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } atom: 1396 119E-QB B 1.81 ambi=2 { CB:30.3 } ::sumAvg: 4.645 atom: 1396 119E-QB B 1.81 ambi=2 { CB:30.3 } atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } :: atom: 1396 119E-QB B 1.81 ambi=2 { CB:30.3 } atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } ::sumAvg: 4.645 atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } atom: 1398 119E-HG2 G 2.17 ambi=2 { CG:35.8 } :: atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } atom: 1399 119E-HG3 G 2.1 ambi=2 { CG:35.8 } :: atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } atom: 1398 119E-HG2 G 2.17 ambi=2 { CG:35.8 } :: atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } atom: 1399 119E-HG3 G 2.1 ambi=2 { CG:35.8 } ::sumAvg: 4.595 atom: 1398 119E-HG2 G 2.17 ambi=2 { CG:35.8 } atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } :: atom: 1399 119E-HG3 G 2.1 ambi=2 { CG:35.8 } atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } :: atom: 1398 119E-HG2 G 2.17 ambi=2 { CG:35.8 } atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } :: atom: 1399 119E-HG3 G 2.1 ambi=2 { CG:35.8 } atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } ::sumAvg: 4.595 atom: 1385 118L-HD1 D1 0.73 ambi=2 { CD1:24.6 } atom: 1405 120H-H N 8.52 ambi=1 { N:120.1 } :: atom: 1386 118L-HD2 D2 0.82 ambi=2 { CD2:24.6 } atom: 1405 120H-H N 8.52 ambi=1 { N:120.1 } ::sumAvg: 4.85 atom: 1395 119E-HA A 4.16 ambi=1 { CA:56 } atom: 1394 119E-H N 8.33 ambi=1 { N:124 } ::sumAvg: 2.655 atom: 1395 119E-HA A 4.16 ambi=1 { CA:56 } atom: 1406 120H-HA A 4.62 ambi=1 { CA:55.3 } ::sumAvg: 4.69 atom: 1406 120H-HA A 4.62 ambi=1 { CA:55.3 } atom: 1395 119E-HA A 4.16 ambi=1 { CA:56 } ::sumAvg: 4.69 atom: 1407 120H-HB2 B 3.16 ambi=2 { CB:29.3 } atom: 1395 119E-HA A 4.16 ambi=1 { CA:56 } :: atom: 1408 120H-HB3 B 3.09 ambi=2 { CB:29.3 } atom: 1395 119E-HA A 4.16 ambi=1 { CA:56 } ::sumAvg: 4.78 atom: 1395 119E-HA A 4.16 ambi=1 { CA:56 } atom: 1413 121H-H N 8.58 ambi=1 { N:120.8 } ::sumAvg: 4.98 atom: 1396 119E-QB B 1.81 ambi=2 { CB:30.3 } atom: 1406 120H-HA A 4.62 ambi=1 { CA:55.3 } ::sumAvg: 4.44 atom: 1396 119E-QB B 1.81 ambi=2 { CB:30.3 } atom: 1407 120H-HB2 B 3.16 ambi=2 { CB:29.3 } :: atom: 1396 119E-QB B 1.81 ambi=2 { CB:30.3 } atom: 1408 120H-HB3 B 3.09 ambi=2 { CB:29.3 } ::sumAvg: 4.765 atom: 1407 120H-HB2 B 3.16 ambi=2 { CB:29.3 } atom: 1396 119E-QB B 1.81 ambi=2 { CB:30.3 } :: atom: 1408 120H-HB3 B 3.09 ambi=2 { CB:29.3 } atom: 1396 119E-QB B 1.81 ambi=2 { CB:30.3 } ::sumAvg: 4.765 atom: 1406 120H-HA A 4.62 ambi=1 { CA:55.3 } atom: 1405 120H-H N 8.52 ambi=1 { N:120.1 } ::sumAvg: 2.655 atom: 1407 120H-HB2 B 3.16 ambi=2 { CB:29.3 } atom: 1405 120H-H N 8.52 ambi=1 { N:120.1 } :: atom: 1408 120H-HB3 B 3.09 ambi=2 { CB:29.3 } atom: 1405 120H-H N 8.52 ambi=1 { N:120.1 } ::sumAvg: 3.105 atom: 1406 120H-HA A 4.62 ambi=1 { CA:55.3 } atom: 1413 121H-H N 8.58 ambi=1 { N:120.8 } ::sumAvg: 2.88 atom: 1407 120H-HB2 B 3.16 ambi=2 { CB:29.3 } atom: 1421 122H-H N 8.4 ambi=1 { N:125.7 } :: atom: 1408 120H-HB3 B 3.09 ambi=2 { CB:29.3 } atom: 1421 122H-H N 8.4 ambi=1 { N:125.7 } ::sumAvg: 4.925 atom: 1414 121H-HA A 4.62 ambi=1 { CA:55.3 } atom: 1413 121H-H N 8.58 ambi=1 { N:120.8 } ::sumAvg: 2.665 atom: 1414 121H-HA A 4.62 ambi=1 { CA:55.3 } atom: 1421 122H-H N 8.4 ambi=1 { N:125.7 } ::sumAvg: 2.79 atom: 1415 121H-HB2 B 3.2 ambi=2 { CB:29.2 } atom: 1421 122H-H N 8.4 ambi=1 { N:125.7 } :: atom: 1416 121H-HB3 B 3.11 ambi=2 { CB:29.2 } atom: 1421 122H-H N 8.4 ambi=1 { N:125.7 } ::sumAvg: 2.96 atom: 1422 122H-HA A 4.62 ambi=1 { CA:55.3 } atom: 1421 122H-H N 8.4 ambi=1 { N:125.7 } ::sumAvg: 2.66 atom: 1423 122H-HB2 B 3.12 ambi=2 { CB:29.2 } atom: 1421 122H-H N 8.4 ambi=1 { N:125.7 } :: atom: 1424 122H-HB3 B 3.02 ambi=2 { CB:29.2 } atom: 1421 122H-H N 8.4 ambi=1 { N:125.7 } ::sumAvg: 3.085 atom: 1423 122H-HB2 B 3.12 ambi=2 { CB:29.2 } atom: 1436 124H-H N 8.71 ambi=1 { N:120.7 } :: atom: 1424 122H-HB3 B 3.02 ambi=2 { CB:29.2 } atom: 1436 124H-H N 8.71 ambi=1 { N:120.7 } ::sumAvg: 4.625 atom: 1429 123H-HA A 4.64 ambi=1 { CA:55.3 } atom: 1436 124H-H N 8.71 ambi=1 { N:120.7 } ::sumAvg: 2.86 atom: 1430 123H-HB2 B 3.17 ambi=2 { CB:29.3 } atom: 1436 124H-H N 8.71 ambi=1 { N:120.7 } :: atom: 1431 123H-HB3 B 3.09 ambi=2 { CB:29.3 } atom: 1436 124H-H N 8.71 ambi=1 { N:120.7 } ::sumAvg: 3.405 atom: 1437 124H-HA A 4.64 ambi=1 { CA:55.3 } atom: 1436 124H-H N 8.71 ambi=1 { N:120.7 } ::sumAvg: 2.66 atom: 1438 124H-HB2 B 3.17 ambi=2 { CB:29.3 } atom: 1436 124H-H N 8.71 ambi=1 { N:120.7 } :: atom: 1439 124H-HB3 B 3.09 ambi=2 { CB:29.3 } atom: 1436 124H-H N 8.71 ambi=1 { N:120.7 } ::sumAvg: 3.08