# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } ::sumAvg: 3.39 atom: 25 8E-H N 7.91 ambi=1 { N:119 } atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } ::sumAvg: 4.465 atom: 35 9M-H N 8.52 ambi=1 { N:117.5 } atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } ::sumAvg: 3.505 atom: 47 10T-H N 8.47 ambi=1 { N:116.6 } atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } ::sumAvg: 4.285 atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } atom: 2 6L-HB2 B 1.44 ambi=2 { CB:40.9 } :: atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } atom: 3 6L-HB3 B 1.79 ambi=2 { CB:40.9 } ::sumAvg: 2.89 atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } ::sumAvg: 3.97 atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } :: atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } ::sumAvg: 4.325 atom: 35 9M-H N 8.52 ambi=1 { N:117.5 } atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } :: atom: 35 9M-H N 8.52 ambi=1 { N:117.5 } atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } ::sumAvg: 4.745 atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } atom: 50 10T-HG1 G1 5.21 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.83 atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } atom: 14 7L-HB2 B 1.64 ambi=2 { CB:41 } :: atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } atom: 15 7L-HB3 B 1.91 ambi=2 { CB:41 } ::sumAvg: 2.28 atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } atom: 16 7L-HG G 1.62 ambi=1 { CG:26.8 } ::sumAvg: 3.435 atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } atom: 17 7L-HD1 D1 0.96 ambi=2 { CD1:25.5 } :: atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } atom: 18 7L-HD2 D2 0.94 ambi=2 { CD2:23 } ::sumAvg: 3.83 atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } atom: 25 8E-H N 7.91 ambi=1 { N:119 } ::sumAvg: 2.57 atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } atom: 27 8E-HB2 B 2.05 ambi=2 { CB:29.2 } :: atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } atom: 28 8E-HB3 B 2.31 ambi=2 { CB:29.2 } ::sumAvg: 4.735 atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } atom: 35 9M-H N 8.52 ambi=1 { N:117.5 } ::sumAvg: 4.145 atom: 35 9M-H N 8.52 ambi=1 { N:117.5 } atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } ::sumAvg: 4.145 atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } atom: 47 10T-H N 8.47 ambi=1 { N:116.6 } ::sumAvg: 4.775 atom: 47 10T-H N 8.47 ambi=1 { N:116.6 } atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } ::sumAvg: 4.775 atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } atom: 1096 117I-HG2 G2 0.95 ambi=1 { CG2:17.6 } ::sumAvg: 3.635 atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } ::sumAvg: 3.535 atom: 25 8E-H N 7.91 ambi=1 { N:119 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } ::sumAvg: 4.685 atom: 35 9M-H N 8.52 ambi=1 { N:117.5 } atom: 50 10T-HG1 G1 5.21 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.875 atom: 35 9M-H N 8.52 ambi=1 { N:117.5 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } ::sumAvg: 4.735 atom: 35 9M-H N 8.52 ambi=1 { N:117.5 } atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } ::sumAvg: 4.57 atom: 79 13M-H N 8.12 ambi=1 { N:118.5 } atom: 36 9M-HA A 4.03 ambi=1 { CA:59.9 } ::sumAvg: 4.09 atom: 56 11E-H N 8.5 ambi=1 { N:119.4 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } ::sumAvg: 4.785 atom: 79 13M-H N 8.12 ambi=1 { N:118.5 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } ::sumAvg: 4.775 atom: 418 54W-H N 9.27 ambi=1 { N:124 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } ::sumAvg: 4.065 atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } ::sumAvg: 4.62 atom: 418 54W-H N 9.27 ambi=1 { N:124 } atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } :: atom: 418 54W-H N 9.27 ambi=1 { N:124 } atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } ::sumAvg: 4.83 atom: 418 54W-H N 9.27 ambi=1 { N:124 } atom: 41 9M-HE E 2 ambi=1 { CE:17.6 } ::sumAvg: 4.295 atom: 47 10T-H N 8.47 ambi=1 { N:116.6 } atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } ::sumAvg: 3.15 atom: 47 10T-H N 8.47 ambi=1 { N:116.6 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } ::sumAvg: 4.57 atom: 66 12Q-H N 8.14 ambi=1 { N:120.4 } atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } ::sumAvg: 4.4 atom: 66 12Q-H N 8.14 ambi=1 { N:120.4 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } ::sumAvg: 4.91 atom: 56 11E-H N 8.5 ambi=1 { N:119.4 } atom: 91 14I-H N 8.04 ambi=1 { N:119.4 } ::sumAvg: 4.66 atom: 91 14I-H N 8.04 ambi=1 { N:119.4 } atom: 56 11E-H N 8.5 ambi=1 { N:119.4 } ::sumAvg: 4.66 atom: 56 11E-H N 8.5 ambi=1 { N:119.4 } atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } ::sumAvg: 4.945 atom: 56 11E-H N 8.5 ambi=1 { N:119.4 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } ::sumAvg: 3.95 atom: 66 12Q-H N 8.14 ambi=1 { N:120.4 } atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } :: atom: 66 12Q-H N 8.14 ambi=1 { N:120.4 } atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } ::sumAvg: 4.685 atom: 66 12Q-H N 8.14 ambi=1 { N:120.4 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } ::sumAvg: 4.545 atom: 66 12Q-H N 8.14 ambi=1 { N:120.4 } atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } ::sumAvg: 4.905 atom: 66 12Q-H N 8.14 ambi=1 { N:120.4 } atom: 104 15E-H N 7.7 ambi=1 { N:119 } ::sumAvg: 4.705 atom: 79 13M-H N 8.12 ambi=1 { N:118.5 } atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } ::sumAvg: 4.33 atom: 79 13M-H N 8.12 ambi=1 { N:118.5 } atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } ::sumAvg: 4.64 atom: 104 15E-H N 7.7 ambi=1 { N:119 } atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } ::sumAvg: 4.37 atom: 1020 110L-H N 8.51 ambi=1 { N:121 } atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } ::sumAvg: 4.705 atom: 1033 111H-H N 8.44 ambi=1 { N:116.3 } atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } ::sumAvg: 4.205 atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } ::sumAvg: 4.415 atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } ::sumAvg: 4.385 atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } ::sumAvg: 4.97 atom: 683 79K-H N 8.57 ambi=1 { N:119.5 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } ::sumAvg: 4.62 atom: 716 82F-H N 9.62 ambi=1 { N:121.4 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } ::sumAvg: 4.585 atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } atom: 91 14I-H N 8.04 ambi=1 { N:119.4 } ::sumAvg: 4.685 atom: 91 14I-H N 8.04 ambi=1 { N:119.4 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } ::sumAvg: 4.655 atom: 1058 114K-H N 8.22 ambi=1 { N:120.6 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } ::sumAvg: 4.605 atom: 380 50L-H N 7.59 ambi=1 { N:119.5 } atom: 365 48D-HB2 B 2.88 ambi=2 { CB:41.7 } :: atom: 380 50L-H N 7.59 ambi=1 { N:119.5 } atom: 366 48D-HB3 B 2.96 ambi=2 { CB:41.7 } ::sumAvg: 4.71 atom: 104 15E-H N 7.7 ambi=1 { N:119 } atom: 116 16V-HB B 2.29 ambi=1 { CB:31.9 } ::sumAvg: 4.865 atom: 104 15E-H N 7.7 ambi=1 { N:119 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } ::sumAvg: 4.85 atom: 104 15E-H N 7.7 ambi=1 { N:119 } atom: 130 18E-H N 8.85 ambi=1 { N:117.9 } ::sumAvg: 4.75 atom: 130 18E-H N 8.85 ambi=1 { N:117.9 } atom: 104 15E-H N 7.7 ambi=1 { N:119 } ::sumAvg: 4.75 atom: 114 16V-H N 8.41 ambi=1 { N:119.5 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 4.14 atom: 130 18E-H N 8.85 ambi=1 { N:117.9 } atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } ::sumAvg: 4.46 atom: 140 19K-H N 8.75 ambi=1 { N:119.2 } atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } :: atom: 140 19K-H N 8.75 ambi=1 { N:119.2 } atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } ::sumAvg: 4.76 atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } atom: 132 18E-HB2 B 2.23 ambi=2 { CB:29.7 } :: atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } atom: 133 18E-HB3 B 1.96 ambi=2 { CB:29.7 } ::sumAvg: 4.775 atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } ::sumAvg: 4.495 atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } ::sumAvg: 4.415 atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } :: atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } ::sumAvg: 4.745 atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 4.265 atom: 140 19K-H N 8.75 ambi=1 { N:119.2 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } ::sumAvg: 4.61 atom: 161 21A-H N 8.55 ambi=1 { N:125.3 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } ::sumAvg: 4.82 atom: 156 20G-H N 8.64 ambi=1 { N:110.3 } atom: 131 18E-HA A 3.99 ambi=1 { CA:59.5 } ::sumAvg: 4.345 atom: 140 19K-H N 8.75 ambi=1 { N:119.2 } atom: 148 19K-QE E 2.96 ambi=2 { CE:42.1 } ::sumAvg: 4.57 atom: 140 19K-H N 8.75 ambi=1 { N:119.2 } atom: 167 22D-H N 7.66 ambi=1 { N:119 } ::sumAvg: 4.795 atom: 167 22D-H N 7.66 ambi=1 { N:119 } atom: 140 19K-H N 8.75 ambi=1 { N:119.2 } ::sumAvg: 4.795 atom: 161 21A-H N 8.55 ambi=1 { N:125.3 } atom: 141 19K-HA A 4.15 ambi=1 { CA:58.7 } ::sumAvg: 4.185 atom: 156 20G-H N 8.64 ambi=1 { N:110.3 } atom: 167 22D-H N 7.66 ambi=1 { N:119 } ::sumAvg: 4.01 atom: 156 20G-H N 8.64 ambi=1 { N:110.3 } atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } ::sumAvg: 4.935 atom: 156 20G-H N 8.64 ambi=1 { N:110.3 } atom: 174 23R-H N 8.11 ambi=1 { N:121.8 } ::sumAvg: 4.62 atom: 174 23R-H N 8.11 ambi=1 { N:121.8 } atom: 156 20G-H N 8.64 ambi=1 { N:110.3 } ::sumAvg: 4.62 atom: 156 20G-H N 8.64 ambi=1 { N:110.3 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 156 20G-H N 8.64 ambi=1 { N:110.3 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 4.99 atom: 161 21A-H N 8.55 ambi=1 { N:125.3 } atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } ::sumAvg: 4.65 atom: 161 21A-H N 8.55 ambi=1 { N:125.3 } atom: 174 23R-H N 8.11 ambi=1 { N:121.8 } ::sumAvg: 4.05 atom: 161 21A-H N 8.55 ambi=1 { N:125.3 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } ::sumAvg: 4.195 atom: 161 21A-H N 8.55 ambi=1 { N:125.3 } atom: 907 99F-HZ Z 6.67 ambi=1 { CZ:128.2 } ::sumAvg: 4.305 atom: 187 24Y-H N 8.46 ambi=1 { N:120.4 } atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } ::sumAvg: 4.615 atom: 200 25Q-H N 7.54 ambi=1 { N:117.5 } atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } ::sumAvg: 4.74 atom: 210 26E-H N 7.98 ambi=1 { N:117.9 } atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } ::sumAvg: 4.895 atom: 174 23R-H N 8.11 ambi=1 { N:121.8 } atom: 180 23R-QD D 3.16 ambi=2 { CD:43.1 } ::sumAvg: 4.1 atom: 174 23R-H N 8.11 ambi=1 { N:121.8 } atom: 200 25Q-H N 7.54 ambi=1 { N:117.5 } ::sumAvg: 4.065 atom: 200 25Q-H N 7.54 ambi=1 { N:117.5 } atom: 174 23R-H N 8.11 ambi=1 { N:121.8 } ::sumAvg: 4.065 atom: 187 24Y-H N 8.46 ambi=1 { N:120.4 } atom: 180 23R-QD D 3.16 ambi=2 { CD:43.1 } ::sumAvg: 4.97 atom: 187 24Y-H N 8.46 ambi=1 { N:120.4 } atom: 202 25Q-HB2 B 2.16 ambi=2 { CB:28.4 } :: atom: 187 24Y-H N 8.46 ambi=1 { N:120.4 } atom: 203 25Q-HB3 B 2.19 ambi=2 { CB:28.4 } ::sumAvg: 4.765 atom: 187 24Y-H N 8.46 ambi=1 { N:120.4 } atom: 210 26E-H N 7.98 ambi=1 { N:117.9 } ::sumAvg: 4.015 atom: 187 24Y-H N 8.46 ambi=1 { N:120.4 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } ::sumAvg: 4.715 atom: 187 24Y-H N 8.46 ambi=1 { N:120.4 } atom: 907 99F-HZ Z 6.67 ambi=1 { CZ:128.2 } ::sumAvg: 4.66 atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } ::sumAvg: 4.32 atom: 200 25Q-H N 7.54 ambi=1 { N:117.5 } atom: 212 26E-QB B 2.03 ambi=2 { CB:29.7 } ::sumAvg: 4.51 atom: 268 38E-H N 9 ambi=1 { N:116 } atom: 240 36F-HA A 3.91 ambi=1 { CA:62 } ::sumAvg: 4.97 atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } atom: 243 36F-QD D 6.4 ambi=3 { CD1:130.8 } ::sumAvg: 3.66 atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } atom: 270 38E-HB2 B 1.96 ambi=2 { CB:30.6 } :: atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } atom: 271 38E-HB3 B 2.06 ambi=2 { CB:30.6 } ::sumAvg: 4.98 atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } ::sumAvg: 4.17 atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } ::sumAvg: 4.17 atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } ::sumAvg: 3.885 atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } ::sumAvg: 3.885 atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } ::sumAvg: 3.675 atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } ::sumAvg: 4.85 atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } ::sumAvg: 4.2 atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } atom: 254 37F-HA A 3.98 ambi=1 { CA:61.6 } ::sumAvg: 4.655 atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } atom: 254 37F-HA A 3.98 ambi=1 { CA:61.6 } ::sumAvg: 4.19 atom: 268 38E-H N 9 ambi=1 { N:116 } atom: 279 39T-HA A 4.28 ambi=1 { CA:64.1 } ::sumAvg: 4.915 atom: 268 38E-H N 9 ambi=1 { N:116 } atom: 281 39T-HG2 G2 0.94 ambi=1 { CG2:22.5 } ::sumAvg: 4.855 atom: 268 38E-H N 9 ambi=1 { N:116 } atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } ::sumAvg: 3.425 atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } atom: 268 38E-H N 9 ambi=1 { N:116 } ::sumAvg: 3.425 atom: 268 38E-H N 9 ambi=1 { N:116 } atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } ::sumAvg: 4.725 atom: 268 38E-H N 9 ambi=1 { N:116 } atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } ::sumAvg: 4.33 atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } atom: 270 38E-HB2 B 1.96 ambi=2 { CB:30.6 } :: atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } atom: 271 38E-HB3 B 2.06 ambi=2 { CB:30.6 } ::sumAvg: 4.435 atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } ::sumAvg: 4.735 atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } ::sumAvg: 4.39 atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } :: atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } ::sumAvg: 4.005 atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } ::sumAvg: 4.85 atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } atom: 299 41K-H N 8.4 ambi=1 { N:118.8 } ::sumAvg: 4.835 atom: 299 41K-H N 8.4 ambi=1 { N:118.8 } atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } ::sumAvg: 4.835 atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } ::sumAvg: 4.975 atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } atom: 311 42P-HD2 D 2.95 ambi=2 { CD:49.4 } :: atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } atom: 312 42P-HD3 D 3.32 ambi=2 { CD:49.4 } ::sumAvg: 4.675 atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } ::sumAvg: 4.21 atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } atom: 311 42P-HD2 D 2.95 ambi=2 { CD:49.4 } :: atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } atom: 312 42P-HD3 D 3.32 ambi=2 { CD:49.4 } ::sumAvg: 3.93 atom: 323 44V-H N 8.38 ambi=1 { N:120.5 } atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } ::sumAvg: 4.725 atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } :: atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } ::sumAvg: 4.885 atom: 317 43A-H N 6.79 ambi=1 { N:119.5 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } ::sumAvg: 4.64 atom: 323 44V-H N 8.38 ambi=1 { N:120.5 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } ::sumAvg: 3.975 atom: 777 87L-H N 8.45 ambi=1 { N:120.2 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } ::sumAvg: 4.6 atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } ::sumAvg: 4.505 atom: 810 90Y-H N 7.33 ambi=1 { N:116 } atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } ::sumAvg: 3.545 atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } ::sumAvg: 4.085 atom: 299 41K-H N 8.4 ambi=1 { N:118.8 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } ::sumAvg: 4.155 atom: 317 43A-H N 6.79 ambi=1 { N:119.5 } atom: 300 41K-HA A 3.65 ambi=1 { CA:59 } ::sumAvg: 4.315 atom: 323 44V-H N 8.38 ambi=1 { N:120.5 } atom: 306 42P-HA A 4.28 ambi=1 { CA:65.3 } ::sumAvg: 4.565 atom: 323 44V-H N 8.38 ambi=1 { N:120.5 } atom: 311 42P-HD2 D 2.95 ambi=2 { CD:49.4 } :: atom: 323 44V-H N 8.38 ambi=1 { N:120.5 } atom: 312 42P-HD3 D 3.32 ambi=2 { CD:49.4 } ::sumAvg: 4.67 atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } atom: 318 43A-HA A 4.19 ambi=1 { CA:54.9 } :: atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } atom: 318 43A-HA A 4.19 ambi=1 { CA:54.9 } ::sumAvg: 3.8 atom: 333 45E-H N 8.41 ambi=1 { N:118.4 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } ::sumAvg: 4.595 atom: 323 44V-H N 8.38 ambi=1 { N:120.5 } atom: 353 47N-H N 7.7 ambi=1 { N:118 } ::sumAvg: 4.48 atom: 323 44V-H N 8.38 ambi=1 { N:120.5 } atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } :: atom: 323 44V-H N 8.38 ambi=1 { N:120.5 } atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } ::sumAvg: 4.895 atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } atom: 323 44V-H N 8.38 ambi=1 { N:120.5 } :: atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } atom: 323 44V-H N 8.38 ambi=1 { N:120.5 } ::sumAvg: 4.895 atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } atom: 324 44V-HA A 3.46 ambi=1 { CA:67.2 } :: atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } atom: 324 44V-HA A 3.46 ambi=1 { CA:67.2 } ::sumAvg: 4.565 atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } atom: 326 44V-HG1 G1 0.94 ambi=2 { CG1:22.8 } :: atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } atom: 326 44V-HG1 G1 0.94 ambi=2 { CG1:22.8 } :: atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } atom: 327 44V-HG2 G2 0.91 ambi=2 { CG2:21.1 } :: atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } atom: 327 44V-HG2 G2 0.91 ambi=2 { CG2:21.1 } ::sumAvg: 4.975 atom: 343 46E-H N 8.39 ambi=1 { N:118.8 } atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } :: atom: 343 46E-H N 8.39 ambi=1 { N:118.8 } atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } ::sumAvg: 4.88 atom: 353 47N-H N 7.7 ambi=1 { N:118 } atom: 365 48D-HB2 B 2.88 ambi=2 { CB:41.7 } :: atom: 353 47N-H N 7.7 ambi=1 { N:118 } atom: 366 48D-HB3 B 2.96 ambi=2 { CB:41.7 } ::sumAvg: 4.695 atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } :: atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } ::sumAvg: 4.31 atom: 380 50L-H N 7.59 ambi=1 { N:119.5 } atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } :: atom: 380 50L-H N 7.59 ambi=1 { N:119.5 } atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } ::sumAvg: 4.485 atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } :: atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } ::sumAvg: 4.21 atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } :: atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } :: atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } :: atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } ::sumAvg: 4.525 atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } ::sumAvg: 4.405 atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } :: atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } :: atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } :: atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } ::sumAvg: 4.63 atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } atom: 769 86V-HB B 1.87 ambi=1 { CB:31.5 } :: atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } atom: 769 86V-HB B 1.87 ambi=1 { CB:31.5 } ::sumAvg: 3.915 atom: 370 49E-H N 7.31 ambi=1 { N:117.6 } atom: 399 52A-H N 8.41 ambi=1 { N:119.4 } ::sumAvg: 4.655 atom: 399 52A-H N 8.41 ambi=1 { N:119.4 } atom: 370 49E-H N 7.31 ambi=1 { N:117.6 } ::sumAvg: 4.655 atom: 370 49E-H N 7.31 ambi=1 { N:117.6 } atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } :: atom: 370 49E-H N 7.31 ambi=1 { N:117.6 } atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } ::sumAvg: 4.93 atom: 380 50L-H N 7.59 ambi=1 { N:119.5 } atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } ::sumAvg: 4.475 atom: 380 50L-H N 7.59 ambi=1 { N:119.5 } atom: 405 53R-H N 8.07 ambi=1 { N:119.5 } ::sumAvg: 4.815 atom: 405 53R-H N 8.07 ambi=1 { N:119.5 } atom: 380 50L-H N 7.59 ambi=1 { N:119.5 } ::sumAvg: 4.815 atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } atom: 405 53R-H N 8.07 ambi=1 { N:119.5 } ::sumAvg: 4.385 atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } atom: 418 54W-H N 9.27 ambi=1 { N:124 } ::sumAvg: 4.725 atom: 418 54W-H N 9.27 ambi=1 { N:124 } atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } ::sumAvg: 4.725 atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } :: atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } ::sumAvg: 4.93 atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } ::sumAvg: 4.21 atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 3.935 atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } ::sumAvg: 4.41 atom: 683 79K-H N 8.57 ambi=1 { N:119.5 } atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } ::sumAvg: 4.775 atom: 399 52A-H N 8.41 ambi=1 { N:119.4 } atom: 439 55A-HB B 1.52 ambi=1 { CB:17.5 } ::sumAvg: 4.825 atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } atom: 399 52A-H N 8.41 ambi=1 { N:119.4 } ::sumAvg: 4.67 atom: 399 52A-H N 8.41 ambi=1 { N:119.4 } atom: 691 79K-QE E 2.99 ambi=2 { CE:41.9 } ::sumAvg: 4.31 atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } ::sumAvg: 4.715 atom: 443 56E-H N 7.46 ambi=1 { N:114.8 } atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } ::sumAvg: 4.8 atom: 405 53R-H N 8.07 ambi=1 { N:119.5 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } :: atom: 405 53R-H N 8.07 ambi=1 { N:119.5 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } ::sumAvg: 4.69 atom: 405 53R-H N 8.07 ambi=1 { N:119.5 } atom: 443 56E-H N 7.46 ambi=1 { N:114.8 } ::sumAvg: 4.74 atom: 443 56E-H N 7.46 ambi=1 { N:114.8 } atom: 405 53R-H N 8.07 ambi=1 { N:119.5 } ::sumAvg: 4.74 atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } atom: 406 53R-HA A 4.13 ambi=1 { CA:59.1 } ::sumAvg: 4.475 atom: 418 54W-H N 9.27 ambi=1 { N:124 } atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } ::sumAvg: 4.95 atom: 418 54W-H N 9.27 ambi=1 { N:124 } atom: 453 57G-H N 7.65 ambi=1 { N:106 } ::sumAvg: 4.855 atom: 453 57G-H N 7.65 ambi=1 { N:106 } atom: 418 54W-H N 9.27 ambi=1 { N:124 } ::sumAvg: 4.855 atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } :: atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } ::sumAvg: 4.79 atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } ::sumAvg: 3.885 atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } atom: 1021 110L-HA A 3.9 ambi=1 { CA:58.5 } ::sumAvg: 4.12 atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } atom: 1050 113V-HB B 2.52 ambi=1 { CB:31 } ::sumAvg: 3.975 atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } ::sumAvg: 4.08 atom: 683 79K-H N 8.57 ambi=1 { N:119.5 } atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } ::sumAvg: 4.72 atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } ::sumAvg: 4.845 atom: 683 79K-H N 8.57 ambi=1 { N:119.5 } atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } ::sumAvg: 3.285 atom: 673 78V-H N 7.62 ambi=1 { N:116.8 } atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } ::sumAvg: 4.735 atom: 683 79K-H N 8.57 ambi=1 { N:119.5 } atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } ::sumAvg: 4.93 atom: 453 57G-H N 7.65 ambi=1 { N:106 } atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } ::sumAvg: 4.305 atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } ::sumAvg: 4.405 atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } ::sumAvg: 4.565 atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } atom: 689 79K-HD2 D 1.68 ambi=2 { CD:29.3 } :: atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } atom: 690 79K-HD3 D 1.72 ambi=2 { CD:29.3 } ::sumAvg: 4.85 atom: 458 58A-H N 8.95 ambi=1 { N:127.4 } atom: 445 56E-HB2 B 2.04 ambi=2 { CB:29.5 } :: atom: 458 58A-H N 8.95 ambi=1 { N:127.4 } atom: 446 56E-HB3 B 2.1 ambi=2 { CB:29.5 } ::sumAvg: 4.805 atom: 458 58A-H N 8.95 ambi=1 { N:127.4 } atom: 443 56E-H N 7.46 ambi=1 { N:114.8 } ::sumAvg: 4.025 atom: 453 57G-H N 7.65 ambi=1 { N:106 } atom: 464 59L-H N 8.37 ambi=1 { N:116.8 } ::sumAvg: 4.12 atom: 477 60E-H N 7.31 ambi=1 { N:119 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } ::sumAvg: 4.5 atom: 487 61L-H N 7.7 ambi=1 { N:120.8 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } ::sumAvg: 4.56 atom: 458 58A-H N 8.95 ambi=1 { N:127.4 } atom: 477 60E-H N 7.31 ambi=1 { N:119 } ::sumAvg: 4.005 atom: 487 61L-H N 7.7 ambi=1 { N:120.8 } atom: 458 58A-H N 8.95 ambi=1 { N:127.4 } ::sumAvg: 4.77 atom: 458 58A-H N 8.95 ambi=1 { N:127.4 } atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } ::sumAvg: 4.225 atom: 487 61L-H N 7.7 ambi=1 { N:120.8 } atom: 464 59L-H N 8.37 ambi=1 { N:116.8 } ::sumAvg: 3.945 atom: 500 62I-H N 7.51 ambi=1 { N:110.7 } atom: 464 59L-H N 8.37 ambi=1 { N:116.8 } ::sumAvg: 4.99 atom: 487 61L-H N 7.7 ambi=1 { N:120.8 } atom: 465 59L-HA A 3.92 ambi=1 { CA:57.3 } ::sumAvg: 4.22 atom: 487 61L-H N 7.7 ambi=1 { N:120.8 } atom: 466 59L-HB2 B 1.86 ambi=2 { CB:40.8 } :: atom: 487 61L-H N 7.7 ambi=1 { N:120.8 } atom: 467 59L-HB3 B 1.31 ambi=2 { CB:40.8 } ::sumAvg: 4.97 atom: 477 60E-H N 7.31 ambi=1 { N:119 } atom: 515 63K-QB B 1.95 ambi=2 { CB:32.8 } ::sumAvg: 4.81 atom: 528 64V-H N 7.63 ambi=1 { N:115.2 } atom: 479 60E-HB2 B 2.04 ambi=2 { CB:28.9 } :: atom: 528 64V-H N 7.63 ambi=1 { N:115.2 } atom: 480 60E-HB3 B 2.08 ambi=2 { CB:28.9 } ::sumAvg: 4.895 atom: 487 61L-H N 7.7 ambi=1 { N:120.8 } atom: 515 63K-QB B 1.95 ambi=2 { CB:32.8 } ::sumAvg: 4.825 atom: 538 65R-H N 7.98 ambi=1 { N:118.3 } atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } :: atom: 538 65R-H N 7.98 ambi=1 { N:118.3 } atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } ::sumAvg: 4.44 atom: 500 62I-H N 7.51 ambi=1 { N:110.7 } atom: 538 65R-H N 7.98 ambi=1 { N:118.3 } ::sumAvg: 4.67 atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } atom: 506 62I-HD1 D1 0.7 ambi=1 { CD1:14 } ::sumAvg: 4.85 atom: 513 63K-H N 7.52 ambi=1 { N:121.1 } atom: 538 65R-H N 7.98 ambi=1 { N:118.3 } ::sumAvg: 3.955 atom: 538 65R-H N 7.98 ambi=1 { N:118.3 } atom: 515 63K-QB B 1.95 ambi=2 { CB:32.8 } ::sumAvg: 4.805 atom: 528 64V-H N 7.63 ambi=1 { N:115.2 } atom: 540 65R-QB B 1.85 ambi=2 { CB:31.5 } ::sumAvg: 4.61 atom: 538 65R-H N 7.98 ambi=1 { N:118.3 } atom: 551 66R-HA A 4.34 ambi=1 { CA:54.9 } ::sumAvg: 4.955 atom: 637 74Q-HE21 E2 7.57 ambi=2 { NE2:110 } atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } :: atom: 638 74Q-HE22 E2 6.94 ambi=2 { NE2:110 } atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } ::sumAvg: 4.78 atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } atom: 590 70V-HG1 G1 0.78 ambi=2 { CG1:20.4 } :: atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } atom: 591 70V-HG2 G2 0.96 ambi=2 { CG2:21 } ::sumAvg: 4.915 atom: 597 71H-H N 7.87 ambi=1 { N:120.6 } atom: 606 72K-H N 8.4 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.465 atom: 597 71H-H N 7.87 ambi=1 { N:120.6 } atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } ::sumAvg: 4.805 atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } atom: 597 71H-H N 7.87 ambi=1 { N:120.6 } ::sumAvg: 4.805 atom: 597 71H-H N 7.87 ambi=1 { N:120.6 } atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } ::sumAvg: 3.525 atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } atom: 597 71H-H N 7.87 ambi=1 { N:120.6 } ::sumAvg: 3.525 atom: 638 74Q-HE22 E2 6.94 ambi=2 { NE2:110 } atom: 597 71H-H N 7.87 ambi=1 { N:120.6 } ::sumAvg: 4.175 atom: 597 71H-H N 7.87 ambi=1 { N:120.6 } atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } :: atom: 597 71H-H N 7.87 ambi=1 { N:120.6 } atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } ::sumAvg: 3.995 atom: 597 71H-H N 7.87 ambi=1 { N:120.6 } atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } ::sumAvg: 4.575 atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } ::sumAvg: 4.33 atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } :: atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } ::sumAvg: 3.015 atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } :: atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } ::sumAvg: 2.825 atom: 637 74Q-HE21 E2 7.57 ambi=2 { NE2:110 } atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } :: atom: 638 74Q-HE22 E2 6.94 ambi=2 { NE2:110 } atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } :: atom: 637 74Q-HE21 E2 7.57 ambi=2 { NE2:110 } atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } :: atom: 638 74Q-HE22 E2 6.94 ambi=2 { NE2:110 } atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } ::sumAvg: 4.91 atom: 644 75I-H N 7.53 ambi=1 { N:120.6 } atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } :: atom: 644 75I-H N 7.53 ambi=1 { N:120.6 } atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } ::sumAvg: 4.74 atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } atom: 606 72K-H N 8.4 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.155 atom: 644 75I-H N 7.53 ambi=1 { N:120.6 } atom: 606 72K-H N 8.4 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.875 atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } ::sumAvg: 3.495 atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } ::sumAvg: 4.23 atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } atom: 612 72K-QD D 1.65 ambi=2 { CD:29.7 } ::sumAvg: 4.83 atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } :: atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } ::sumAvg: 4.655 atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } atom: 644 75I-H N 7.53 ambi=1 { N:120.6 } ::sumAvg: 4.09 atom: 644 75I-H N 7.53 ambi=1 { N:120.6 } atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } ::sumAvg: 4.09 atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } atom: 657 76E-H N 8.34 ambi=1 { N:117.5 } ::sumAvg: 4.895 atom: 657 76E-H N 8.34 ambi=1 { N:117.5 } atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } ::sumAvg: 4.895 atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } :: atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } ::sumAvg: 4.36 atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } atom: 657 76E-H N 8.34 ambi=1 { N:117.5 } ::sumAvg: 4.135 atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } ::sumAvg: 4.58 atom: 637 74Q-HE21 E2 7.57 ambi=2 { NE2:110 } atom: 632 74Q-HA A 4.18 ambi=1 { CA:58.3 } :: atom: 638 74Q-HE22 E2 6.94 ambi=2 { NE2:110 } atom: 632 74Q-HA A 4.18 ambi=1 { CA:58.3 } ::sumAvg: 4.415 atom: 637 74Q-HE21 E2 7.57 ambi=2 { NE2:110 } atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } :: atom: 638 74Q-HE22 E2 6.94 ambi=2 { NE2:110 } atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } ::sumAvg: 4.695 atom: 644 75I-H N 7.53 ambi=1 { N:120.6 } atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } ::sumAvg: 4.6 atom: 683 79K-H N 8.57 ambi=1 { N:119.5 } atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } ::sumAvg: 4.21 atom: 744 84E-H N 7.66 ambi=1 { N:121.5 } atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } ::sumAvg: 4.52 atom: 744 84E-H N 7.66 ambi=1 { N:121.5 } atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } :: atom: 744 84E-H N 7.66 ambi=1 { N:121.5 } atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } ::sumAvg: 4.99 atom: 699 80D-H N 8.35 ambi=1 { N:115.5 } atom: 658 76E-HA A 3.97 ambi=1 { CA:59.2 } ::sumAvg: 4.63 atom: 667 77A-H N 7.39 ambi=1 { N:118.6 } atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } ::sumAvg: 4.8 atom: 667 77A-H N 7.39 ambi=1 { N:118.6 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 667 77A-H N 7.39 ambi=1 { N:118.6 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } ::sumAvg: 4.25 atom: 706 81N-H N 7.69 ambi=1 { N:118.3 } atom: 668 77A-HA A 4.37 ambi=1 { CA:53.4 } ::sumAvg: 4.05 atom: 710 81N-HD21 D2 8.02 ambi=2 { ND2:111.9 } atom: 668 77A-HA A 4.37 ambi=1 { CA:53.4 } :: atom: 711 81N-HD22 D2 6.98 ambi=2 { ND2:111.9 } atom: 668 77A-HA A 4.37 ambi=1 { CA:53.4 } ::sumAvg: 4.535 atom: 699 80D-H N 8.35 ambi=1 { N:115.5 } atom: 674 78V-HA A 3.72 ambi=1 { CA:66.7 } ::sumAvg: 4.175 atom: 699 80D-H N 8.35 ambi=1 { N:115.5 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 699 80D-H N 8.35 ambi=1 { N:115.5 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } ::sumAvg: 4.77 atom: 976 106V-H N 8.29 ambi=1 { N:122.1 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 976 106V-H N 8.29 ambi=1 { N:122.1 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } ::sumAvg: 4.275 atom: 683 79K-H N 8.57 ambi=1 { N:119.5 } atom: 716 82F-H N 9.62 ambi=1 { N:121.4 } ::sumAvg: 4.76 atom: 716 82F-H N 9.62 ambi=1 { N:121.4 } atom: 683 79K-H N 8.57 ambi=1 { N:119.5 } ::sumAvg: 4.76 atom: 706 81N-H N 7.69 ambi=1 { N:118.3 } atom: 684 79K-HA A 3.78 ambi=1 { CA:61.8 } ::sumAvg: 4.925 atom: 699 80D-H N 8.35 ambi=1 { N:115.5 } atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } :: atom: 699 80D-H N 8.35 ambi=1 { N:115.5 } atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } ::sumAvg: 4.745 atom: 716 82F-H N 9.62 ambi=1 { N:121.4 } atom: 700 80D-HA A 4.49 ambi=1 { CA:57.3 } ::sumAvg: 4.4 atom: 706 81N-H N 7.69 ambi=1 { N:118.3 } atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } :: atom: 706 81N-H N 7.69 ambi=1 { N:118.3 } atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } ::sumAvg: 4.765 atom: 706 81N-H N 7.69 ambi=1 { N:118.3 } atom: 711 81N-HD22 D2 6.98 ambi=2 { ND2:111.9 } ::sumAvg: 4.205 atom: 711 81N-HD22 D2 6.98 ambi=2 { ND2:111.9 } atom: 706 81N-H N 7.69 ambi=1 { N:118.3 } ::sumAvg: 4.205 atom: 706 81N-H N 7.69 ambi=1 { N:118.3 } atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } ::sumAvg: 4.74 atom: 744 84E-H N 7.66 ambi=1 { N:121.5 } atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } :: atom: 744 84E-H N 7.66 ambi=1 { N:121.5 } atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } ::sumAvg: 4.855 atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } :: atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } ::sumAvg: 4.325 atom: 710 81N-HD21 D2 8.02 ambi=2 { ND2:111.9 } atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } :: atom: 711 81N-HD22 D2 6.98 ambi=2 { ND2:111.9 } atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } ::sumAvg: 3.77 atom: 716 82F-H N 9.62 ambi=1 { N:121.4 } atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } ::sumAvg: 4.565 atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } atom: 716 82F-H N 9.62 ambi=1 { N:121.4 } ::sumAvg: 4.565 atom: 716 82F-H N 9.62 ambi=1 { N:121.4 } atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } ::sumAvg: 4.7 atom: 777 87L-H N 8.45 ambi=1 { N:120.2 } atom: 732 83L-HA A 3.9 ambi=1 { CA:57 } ::sumAvg: 4.225 atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } atom: 804 89S-HA A 4.08 ambi=1 { CA:61.9 } ::sumAvg: 4.715 atom: 833 92H-H N 8.6 ambi=1 { N:114.5 } atom: 804 89S-HA A 4.08 ambi=1 { CA:61.9 } ::sumAvg: 4.155 atom: 744 84E-H N 7.66 ambi=1 { N:121.5 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 744 84E-H N 7.66 ambi=1 { N:121.5 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 4.95 atom: 744 84E-H N 7.66 ambi=1 { N:121.5 } atom: 777 87L-H N 8.45 ambi=1 { N:120.2 } ::sumAvg: 4.72 atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } ::sumAvg: 4.52 atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } ::sumAvg: 4.745 atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } ::sumAvg: 4.745 atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } :: atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } ::sumAvg: 4.48 atom: 777 87L-H N 8.45 ambi=1 { N:120.2 } atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } ::sumAvg: 4.595 atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } :: atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } ::sumAvg: 4.84 atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } :: atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } ::sumAvg: 4.31 atom: 986 107L-H N 8.56 ambi=1 { N:117.5 } atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } :: atom: 986 107L-H N 8.56 ambi=1 { N:117.5 } atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } ::sumAvg: 4.705 atom: 767 86V-H N 8.22 ambi=1 { N:118.4 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } ::sumAvg: 4.15 atom: 767 86V-H N 8.22 ambi=1 { N:118.4 } atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } ::sumAvg: 4.88 atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } atom: 767 86V-H N 8.22 ambi=1 { N:118.4 } ::sumAvg: 4.88 atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } ::sumAvg: 4.495 atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 4.78 atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 4.755 atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } atom: 779 87L-HB2 B 1.62 ambi=2 { CB:42.3 } :: atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } atom: 780 87L-HB3 B 2.01 ambi=2 { CB:42.3 } ::sumAvg: 4.775 atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } :: atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } :: atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } :: atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } ::sumAvg: 4.735 atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } atom: 804 89S-HA A 4.08 ambi=1 { CA:61.9 } ::sumAvg: 4.88 atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } :: atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } ::sumAvg: 4.8 atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } :: atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } ::sumAvg: 4.8 atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } atom: 810 90Y-H N 7.33 ambi=1 { N:116 } ::sumAvg: 4.23 atom: 810 90Y-H N 7.33 ambi=1 { N:116 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } ::sumAvg: 4.23 atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } ::sumAvg: 4.895 atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } ::sumAvg: 4.895 atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } atom: 791 88Q-HA A 4.18 ambi=1 { CA:57.3 } :: atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } atom: 791 88Q-HA A 4.18 ambi=1 { CA:57.3 } ::sumAvg: 4.405 atom: 833 92H-H N 8.6 ambi=1 { N:114.5 } atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } :: atom: 833 92H-H N 8.6 ambi=1 { N:114.5 } atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } ::sumAvg: 4.05 atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } :: atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } ::sumAvg: 3.295 atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } :: atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } ::sumAvg: 4.17 atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } ::sumAvg: 3.905 atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } ::sumAvg: 4.53 atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } :: atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } :: atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } :: atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } ::sumAvg: 4.245 atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } :: atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } ::sumAvg: 3.46 atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } :: atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } ::sumAvg: 4.43 atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } :: atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } ::sumAvg: 4.9 atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } :: atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } ::sumAvg: 4.71 atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } ::sumAvg: 4 atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } :: atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } ::sumAvg: 4.75 atom: 833 92H-H N 8.6 ambi=1 { N:114.5 } atom: 810 90Y-H N 7.33 ambi=1 { N:116 } ::sumAvg: 3.5 atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } ::sumAvg: 4.01 atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } ::sumAvg: 4.95 atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } ::sumAvg: 4.95 atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } atom: 825 91V-HB B 1.93 ambi=1 { CB:32.7 } ::sumAvg: 4.105 atom: 833 92H-H N 8.6 ambi=1 { N:114.5 } atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } ::sumAvg: 4.845 atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } atom: 833 92H-H N 8.6 ambi=1 { N:114.5 } ::sumAvg: 4.845 atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } ::sumAvg: 3.525 atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } atom: 846 93H-HD2 D2 6.89 ambi=1 { CD2:118.6 } ::sumAvg: 4.47 atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } :: atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } ::sumAvg: 4.895 atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } atom: 846 93H-HD2 D2 6.89 ambi=1 { CD2:118.6 } ::sumAvg: 4.98 atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } atom: 864 95H-H N 6.99 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.295 atom: 899 99F-H N 8.26 ambi=1 { N:119.1 } atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } ::sumAvg: 4.67 atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } ::sumAvg: 4.955 atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } ::sumAvg: 4.375 atom: 914 100K-H N 8.5 ambi=1 { N:121.7 } atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } ::sumAvg: 4.87 atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } atom: 865 96K-HA A 4.04 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.755 atom: 899 99F-H N 8.26 ambi=1 { N:119.1 } atom: 866 96K-QG G 1.49 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.81 atom: 899 99F-H N 8.26 ambi=1 { N:119.1 } atom: 873 97K-QB B 1.96 ambi=2 { CB:32 } ::sumAvg: 4.615 atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } ::sumAvg: 4.155 atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } :: atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } ::sumAvg: 4.96 atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } atom: 914 100K-H N 8.5 ambi=1 { N:121.7 } ::sumAvg: 4.165 atom: 914 100K-H N 8.5 ambi=1 { N:121.7 } atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } ::sumAvg: 4.165 atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } atom: 930 101D-H N 8.15 ambi=1 { N:119.8 } ::sumAvg: 4.87 atom: 930 101D-H N 8.15 ambi=1 { N:119.8 } atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } ::sumAvg: 4.87 atom: 930 101D-H N 8.15 ambi=1 { N:119.8 } atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } ::sumAvg: 4.375 atom: 914 100K-H N 8.5 ambi=1 { N:121.7 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } ::sumAvg: 3.575 atom: 950 103T-H N 7.93 ambi=1 { N:117.9 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } ::sumAvg: 4.69 atom: 914 100K-H N 8.5 ambi=1 { N:121.7 } atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } :: atom: 914 100K-H N 8.5 ambi=1 { N:121.7 } atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } ::sumAvg: 4.865 atom: 914 100K-H N 8.5 ambi=1 { N:121.7 } atom: 950 103T-H N 7.93 ambi=1 { N:117.9 } ::sumAvg: 4.795 atom: 930 101D-H N 8.15 ambi=1 { N:119.8 } atom: 940 102I-HG12 G1 1.06 ambi=2 { CG1:27.4 } :: atom: 930 101D-H N 8.15 ambi=1 { N:119.8 } atom: 941 102I-HG13 G1 1.37 ambi=2 { CG1:27.4 } ::sumAvg: 4.54 atom: 969 105S-H N 7.84 ambi=1 { N:114.2 } atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } :: atom: 969 105S-H N 7.84 ambi=1 { N:114.2 } atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } ::sumAvg: 4.925 atom: 959 104E-H N 8.47 ambi=1 { N:118.9 } atom: 938 102I-HA A 3.69 ambi=1 { CA:65 } ::sumAvg: 4.405 atom: 969 105S-H N 7.84 ambi=1 { N:114.2 } atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } ::sumAvg: 4.675 atom: 986 107L-H N 8.56 ambi=1 { N:117.5 } atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } ::sumAvg: 4.92 atom: 976 106V-H N 8.29 ambi=1 { N:122.1 } atom: 961 104E-HB2 B 1.98 ambi=2 { CB:29.2 } :: atom: 976 106V-H N 8.29 ambi=1 { N:122.1 } atom: 962 104E-HB3 B 2.08 ambi=2 { CB:29.2 } ::sumAvg: 4.96 atom: 969 105S-H N 7.84 ambi=1 { N:114.2 } atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } ::sumAvg: 4.725 atom: 969 105S-H N 7.84 ambi=1 { N:114.2 } atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } :: atom: 969 105S-H N 7.84 ambi=1 { N:114.2 } atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } ::sumAvg: 4.075 atom: 986 107L-H N 8.56 ambi=1 { N:117.5 } atom: 969 105S-H N 7.84 ambi=1 { N:114.2 } ::sumAvg: 4.35 atom: 976 106V-H N 8.29 ambi=1 { N:122.1 } atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } :: atom: 976 106V-H N 8.29 ambi=1 { N:122.1 } atom: 989 107L-HB3 B 1.44 ambi=2 { CB:41.2 } ::sumAvg: 4.5 atom: 976 106V-H N 8.29 ambi=1 { N:122.1 } atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } :: atom: 976 106V-H N 8.29 ambi=1 { N:122.1 } atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } ::sumAvg: 4.915 atom: 1012 109T-H N 7.8 ambi=1 { N:116.5 } atom: 976 106V-H N 8.29 ambi=1 { N:122.1 } ::sumAvg: 4.65 atom: 986 107L-H N 8.56 ambi=1 { N:117.5 } atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } :: atom: 986 107L-H N 8.56 ambi=1 { N:117.5 } atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } ::sumAvg: 4.82 atom: 986 107L-H N 8.56 ambi=1 { N:117.5 } atom: 1012 109T-H N 7.8 ambi=1 { N:116.5 } ::sumAvg: 4.31 atom: 986 107L-H N 8.56 ambi=1 { N:117.5 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 986 107L-H N 8.56 ambi=1 { N:117.5 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 4.07 atom: 1020 110L-H N 8.51 ambi=1 { N:121 } atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } :: atom: 1020 110L-H N 8.51 ambi=1 { N:121 } atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } ::sumAvg: 4.96 atom: 1033 111H-H N 8.44 ambi=1 { N:116.3 } atom: 1012 109T-H N 7.8 ambi=1 { N:116.5 } ::sumAvg: 4.09 atom: 1012 109T-H N 7.8 ambi=1 { N:116.5 } atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } ::sumAvg: 4.79 atom: 1020 110L-H N 8.51 ambi=1 { N:121 } atom: 1035 111H-HB2 B 2.98 ambi=2 { CB:29.7 } :: atom: 1020 110L-H N 8.51 ambi=1 { N:121 } atom: 1036 111H-HB3 B 3 ambi=2 { CB:29.7 } ::sumAvg: 4.865 atom: 1020 110L-H N 8.51 ambi=1 { N:121 } atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } ::sumAvg: 4.75 atom: 1048 113V-H N 8.3 ambi=1 { N:119 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 1048 113V-H N 8.3 ambi=1 { N:119 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 4.78 atom: 1042 112A-H N 7.92 ambi=1 { N:122.9 } atom: 1037 111H-HD2 D2 6.95 ambi=1 { CD2:119.7 } ::sumAvg: 4.93 atom: 1058 114K-H N 8.22 ambi=1 { N:120.6 } atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } ::sumAvg: 4.48 atom: 1081 116E-H N 7.99 ambi=1 { N:120.8 } atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } ::sumAvg: 4.845 atom: 1074 115D-H N 8.18 ambi=1 { N:118.8 } atom: 1051 113V-HG1 G1 0.98 ambi=2 { CG1:20.7 } :: atom: 1074 115D-H N 8.18 ambi=1 { N:118.8 } atom: 1052 113V-HG2 G2 1.2 ambi=2 { CG2:24.7 } ::sumAvg: 4.675 atom: 1058 114K-H N 8.22 ambi=1 { N:120.6 } atom: 1076 115D-HB2 B 2.14 ambi=2 { CB:39.6 } :: atom: 1058 114K-H N 8.22 ambi=1 { N:120.6 } atom: 1077 115D-HB3 B 2.63 ambi=2 { CB:39.6 } ::sumAvg: 4.965 atom: 1058 114K-H N 8.22 ambi=1 { N:120.6 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } ::sumAvg: 4.24 atom: 1081 116E-H N 7.99 ambi=1 { N:120.8 } atom: 1059 114K-HA A 3.81 ambi=1 { CA:60.8 } ::sumAvg: 4.57 atom: 1074 115D-H N 8.18 ambi=1 { N:118.8 } atom: 1104 118A-H N 7.72 ambi=1 { N:119.9 } ::sumAvg: 4.815 atom: 1104 118A-H N 7.72 ambi=1 { N:119.9 } atom: 1074 115D-H N 8.18 ambi=1 { N:118.8 } ::sumAvg: 4.815 atom: 1081 116E-H N 7.99 ambi=1 { N:120.8 } atom: 1110 119R-H N 7.45 ambi=1 { N:118.4 } ::sumAvg: 4.72 atom: 1110 119R-H N 7.45 ambi=1 { N:118.4 } atom: 1081 116E-H N 7.99 ambi=1 { N:120.8 } ::sumAvg: 4.72 atom: 1104 118A-H N 7.72 ambi=1 { N:119.9 } atom: 1082 116E-HA A 4.06 ambi=1 { CA:58.4 } ::sumAvg: 4.645 atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } atom: 1082 116E-HA A 4.06 ambi=1 { CA:58.4 } ::sumAvg: 4.11 atom: 1091 117I-H N 8.37 ambi=1 { N:119.7 } atom: 1106 118A-HB B 1.5 ambi=1 { CB:18.7 } ::sumAvg: 4.22 atom: 1091 117I-H N 8.37 ambi=1 { N:119.7 } atom: 1110 119R-H N 7.45 ambi=1 { N:118.4 } ::sumAvg: 3.78 atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } atom: 1091 117I-H N 8.37 ambi=1 { N:119.7 } ::sumAvg: 4.845 atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } ::sumAvg: 3.585 atom: 1110 119R-H N 7.45 ambi=1 { N:118.4 } atom: 1093 117I-HB B 1.94 ambi=1 { CB:38.6 } ::sumAvg: 4.86 atom: 1110 119R-H N 7.45 ambi=1 { N:118.4 } atom: 1096 117I-HG2 G2 0.95 ambi=1 { CG2:17.6 } ::sumAvg: 4.735 atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } atom: 1096 117I-HG2 G2 0.95 ambi=1 { CG2:17.6 } ::sumAvg: 4.825 atom: 1104 118A-H N 7.72 ambi=1 { N:119.9 } atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } ::sumAvg: 4.16 atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } atom: 1104 118A-H N 7.72 ambi=1 { N:119.9 } ::sumAvg: 4.16 atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } atom: 1105 118A-HA A 4.25 ambi=1 { CA:52.9 } ::sumAvg: 4.415 atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } atom: 1106 118A-HB B 1.5 ambi=1 { CB:18.7 } ::sumAvg: 4.58 atom: 1110 119R-H N 7.45 ambi=1 { N:118.4 } atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } ::sumAvg: 2.55 atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } atom: 1110 119R-H N 7.45 ambi=1 { N:118.4 } ::sumAvg: 2.55 atom: 1110 119R-H N 7.45 ambi=1 { N:118.4 } atom: 1125 120E-HB2 B 1.97 ambi=2 { CB:30.1 } :: atom: 1110 119R-H N 7.45 ambi=1 { N:118.4 } atom: 1126 120E-HB3 B 2.11 ambi=2 { CB:30.1 } ::sumAvg: 4.68 atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } atom: 1111 119R-HA A 4.11 ambi=1 { CA:57.6 } ::sumAvg: 3.365 atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } atom: 1112 119R-HB2 B 2.03 ambi=2 { CB:31 } :: atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } atom: 1113 119R-HB3 B 1.88 ambi=2 { CB:31 } ::sumAvg: 3.065 atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } atom: 1114 119R-HG2 G 1.73 ambi=2 { CG:27.3 } :: atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } atom: 1115 119R-HG3 G 1.82 ambi=2 { CG:27.3 } ::sumAvg: 4.085 atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } atom: 1116 119R-QD D 3.26 ambi=2 { CD:43.7 } ::sumAvg: 4.835 atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } atom: 1124 120E-HA A 4.28 ambi=1 { CA:57.6 } ::sumAvg: 2.865 atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } atom: 1127 120E-HG2 G 2.28 ambi=2 { CG:36 } :: atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } atom: 1128 120E-HG3 G 2.31 ambi=2 { CG:36 } ::sumAvg: 3.425 # Missing interactons for c_aro.peaks atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } ::sumAvg: 4.6 atom: 425 54W-HZ2 Z2 6.99 ambi=1 { CZ2:112.5 } atom: 50 10T-HG1 G1 5.21 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.97 atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } atom: 51 10T-HG2 G2 1.21 ambi=1 { CG2:22.6 } ::sumAvg: 4.245 atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } atom: 35 9M-H N 8.52 ambi=1 { N:117.5 } ::sumAvg: 4.57 atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } atom: 36 9M-HA A 4.03 ambi=1 { CA:59.9 } ::sumAvg: 4.5 atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } :: atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } ::sumAvg: 4.785 atom: 425 54W-HZ2 Z2 6.99 ambi=1 { CZ2:112.5 } atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } ::sumAvg: 4.93 atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } ::sumAvg: 4.57 atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } :: atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } ::sumAvg: 4.975 atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } ::sumAvg: 4.53 atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } ::sumAvg: 2.82 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } ::sumAvg: 2.865 atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } ::sumAvg: 4.5 atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } ::sumAvg: 3.87 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } ::sumAvg: 3.175 atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } ::sumAvg: 3.64 atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } ::sumAvg: 4.245 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } ::sumAvg: 4.97 atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } ::sumAvg: 4.66 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } ::sumAvg: 4.91 atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } atom: 114 16V-H N 8.41 ambi=1 { N:119.5 } ::sumAvg: 4.545 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 114 16V-H N 8.41 ambi=1 { N:119.5 } ::sumAvg: 4.14 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } ::sumAvg: 4.91 atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 116 16V-HB B 2.29 ambi=1 { CB:31.9 } ::sumAvg: 4.735 atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } atom: 116 16V-HB B 2.29 ambi=1 { CB:31.9 } ::sumAvg: 2.265 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 116 16V-HB B 2.29 ambi=1 { CB:31.9 } ::sumAvg: 2.435 atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } ::sumAvg: 4.495 atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } ::sumAvg: 4.415 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } ::sumAvg: 2.65 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } ::sumAvg: 3.61 atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } ::sumAvg: 2.65 atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } ::sumAvg: 4.875 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } ::sumAvg: 2.705 atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } :: atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } ::sumAvg: 4.95 atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } atom: 161 21A-H N 8.55 ambi=1 { N:125.3 } ::sumAvg: 4.195 atom: 907 99F-HZ Z 6.67 ambi=1 { CZ:128.2 } atom: 161 21A-H N 8.55 ambi=1 { N:125.3 } ::sumAvg: 4.305 atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } atom: 162 21A-HA A 4.49 ambi=1 { CA:55.1 } ::sumAvg: 4.165 atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } ::sumAvg: 4.33 atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } atom: 176 23R-HB2 B 1.69 ambi=2 { CB:30.7 } :: atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } atom: 177 23R-HB3 B 1.82 ambi=2 { CB:30.7 } ::sumAvg: 4.84 atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } atom: 180 23R-QD D 3.16 ambi=2 { CD:43.1 } ::sumAvg: 4.555 atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } atom: 187 24Y-H N 8.46 ambi=1 { N:120.4 } ::sumAvg: 4.715 atom: 907 99F-HZ Z 6.67 ambi=1 { CZ:128.2 } atom: 187 24Y-H N 8.46 ambi=1 { N:120.4 } ::sumAvg: 4.66 atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } atom: 188 24Y-HA A 3.78 ambi=1 { CA:60.9 } ::sumAvg: 4.68 atom: 907 99F-HZ Z 6.67 ambi=1 { CZ:128.2 } atom: 189 24Y-HB2 B 2.11 ambi=2 { CB:39.4 } :: atom: 907 99F-HZ Z 6.67 ambi=1 { CZ:128.2 } atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } ::sumAvg: 3.085 atom: 191 24Y-QD D 6.42 ambi=3 { CD1:132.7 } atom: 200 25Q-H N 7.54 ambi=1 { N:117.5 } ::sumAvg: 3.305 atom: 191 24Y-QD D 6.42 ambi=3 { CD1:132.7 } atom: 202 25Q-HB2 B 2.16 ambi=2 { CB:28.4 } :: atom: 191 24Y-QD D 6.42 ambi=3 { CD1:132.7 } atom: 203 25Q-HB3 B 2.19 ambi=2 { CB:28.4 } ::sumAvg: 4.61 atom: 191 24Y-QD D 6.42 ambi=3 { CD1:132.7 } atom: 204 25Q-QG G 2.46 ambi=2 { CG:33.5 } ::sumAvg: 3.57 atom: 191 24Y-QD D 6.42 ambi=3 { CD1:132.7 } atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } ::sumAvg: 4.785 atom: 191 24Y-QD D 6.42 ambi=3 { CD1:132.7 } atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } :: atom: 191 24Y-QD D 6.42 ambi=3 { CD1:132.7 } atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } ::sumAvg: 4.735 atom: 191 24Y-QD D 6.42 ambi=3 { CD1:132.7 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } ::sumAvg: 3.38 atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } atom: 201 25Q-HA A 3.75 ambi=1 { CA:57.8 } ::sumAvg: 4.4 atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } ::sumAvg: 4.32 atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } ::sumAvg: 3.915 atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } ::sumAvg: 4.35 atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } atom: 865 96K-HA A 4.04 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.49 atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } ::sumAvg: 4.32 atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } ::sumAvg: 4.32 atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } atom: 204 25Q-QG G 2.46 ambi=2 { CG:33.5 } ::sumAvg: 4.535 atom: 232 34Y-QD D 7.43 ambi=3 { CD1:133.5 } atom: 221 32H-QB B 3.75 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.68 atom: 232 34Y-QD D 7.43 ambi=3 { CD1:133.5 } atom: 225 33S-QB B 3.73 ambi=2 { CB:64 } ::sumAvg: 4.42 atom: 234 34Y-QE E 6.99 ambi=3 { CE1:117.5 } atom: 229 34Y-HA A 4.63 ambi=1 { CA:56.9 } ::sumAvg: 4.925 atom: 245 36F-QE E 7.04 ambi=3 { CE1:130.5 } atom: 240 36F-HA A 3.91 ambi=1 { CA:62 } ::sumAvg: 4.995 atom: 243 36F-QD D 6.4 ambi=3 { CD1:130.8 } atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } ::sumAvg: 3.66 atom: 243 36F-QD D 6.4 ambi=3 { CD1:130.8 } atom: 254 37F-HA A 3.98 ambi=1 { CA:61.6 } ::sumAvg: 4.565 atom: 243 36F-QD D 6.4 ambi=3 { CD1:130.8 } atom: 257 37F-QD D 7.45 ambi=3 { CD1:131.2 } ::sumAvg: 4.455 atom: 257 37F-QD D 7.45 ambi=3 { CD1:131.2 } atom: 243 36F-QD D 6.4 ambi=3 { CD1:130.8 } ::sumAvg: 4.455 atom: 257 37F-QD D 7.45 ambi=3 { CD1:131.2 } atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } ::sumAvg: 3.43 atom: 259 37F-QE E 7.47 ambi=3 { CE1:130.6 } atom: 254 37F-HA A 3.98 ambi=1 { CA:61.6 } ::sumAvg: 4.93 atom: 259 37F-QE E 7.47 ambi=3 { CE1:130.6 } atom: 255 37F-QB B 3.13 ambi=2 { CB:38.6 } ::sumAvg: 3.935 atom: 257 37F-QD D 7.45 ambi=3 { CD1:131.2 } atom: 268 38E-H N 9 ambi=1 { N:116 } ::sumAvg: 3.655 atom: 257 37F-QD D 7.45 ambi=3 { CD1:131.2 } atom: 269 38E-HA A 4.13 ambi=1 { CA:57.7 } ::sumAvg: 4.595 atom: 257 37F-QD D 7.45 ambi=3 { CD1:131.2 } atom: 270 38E-HB2 B 1.96 ambi=2 { CB:30.6 } :: atom: 257 37F-QD D 7.45 ambi=3 { CD1:131.2 } atom: 271 38E-HB3 B 2.06 ambi=2 { CB:30.6 } ::sumAvg: 4.42 atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } ::sumAvg: 4.17 atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } ::sumAvg: 4.96 atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } :: atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } ::sumAvg: 4.615 atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } :: atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } ::sumAvg: 3.16 atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } ::sumAvg: 4.945 atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } ::sumAvg: 3.49 atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } ::sumAvg: 3.13 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } ::sumAvg: 3.98 atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } :: atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } ::sumAvg: 3.685 atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } ::sumAvg: 4.405 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } ::sumAvg: 4.08 atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } atom: 382 50L-HB2 B 2.12 ambi=2 { CB:41.8 } :: atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } ::sumAvg: 4.825 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 382 50L-HB2 B 2.12 ambi=2 { CB:41.8 } :: atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } ::sumAvg: 3.5 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 384 50L-HG G 1.56 ambi=1 { CG:26.8 } ::sumAvg: 4.46 atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } :: atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } ::sumAvg: 4.76 atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } :: atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } ::sumAvg: 2.895 atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } ::sumAvg: 4.21 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } ::sumAvg: 3.935 atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } atom: 394 51A-HA A 4.21 ambi=1 { CA:54.9 } ::sumAvg: 3.515 atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 394 51A-HA A 4.21 ambi=1 { CA:54.9 } ::sumAvg: 4.35 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 394 51A-HA A 4.21 ambi=1 { CA:54.9 } ::sumAvg: 4.86 atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } ::sumAvg: 3.855 atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } ::sumAvg: 4.955 atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } ::sumAvg: 4.905 atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } atom: 418 54W-H N 9.27 ambi=1 { N:124 } ::sumAvg: 4.95 atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } atom: 418 54W-H N 9.27 ambi=1 { N:124 } ::sumAvg: 4.565 atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } ::sumAvg: 4.68 atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } ::sumAvg: 4.505 atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 4.105 atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } ::sumAvg: 4.76 atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } ::sumAvg: 4.98 atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } ::sumAvg: 4.56 atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } atom: 683 79K-H N 8.57 ambi=1 { N:119.5 } ::sumAvg: 4.72 atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } atom: 684 79K-HA A 3.78 ambi=1 { CA:61.8 } ::sumAvg: 4.015 atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } atom: 685 79K-HB2 B 1.92 ambi=2 { CB:31.5 } :: atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } atom: 686 79K-HB3 B 2.06 ambi=2 { CB:31.5 } ::sumAvg: 3.855 atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 4.685 atom: 425 54W-HZ2 Z2 6.99 ambi=1 { CZ2:112.5 } atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } ::sumAvg: 4.99 atom: 425 54W-HZ2 Z2 6.99 ambi=1 { CZ2:112.5 } atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } :: atom: 425 54W-HZ2 Z2 6.99 ambi=1 { CZ2:112.5 } atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } ::sumAvg: 4.935 atom: 425 54W-HZ2 Z2 6.99 ambi=1 { CZ2:112.5 } atom: 1024 110L-HG G 1.63 ambi=1 { CG:26.5 } ::sumAvg: 4.345 atom: 425 54W-HZ2 Z2 6.99 ambi=1 { CZ2:112.5 } atom: 1048 113V-H N 8.3 ambi=1 { N:119 } ::sumAvg: 4.9 atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } ::sumAvg: 4.845 atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } ::sumAvg: 4.17 atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } atom: 658 76E-HA A 3.97 ambi=1 { CA:59.2 } ::sumAvg: 4.955 atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } atom: 673 78V-H N 7.62 ambi=1 { N:116.8 } ::sumAvg: 4.25 atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } atom: 683 79K-H N 8.57 ambi=1 { N:119.5 } ::sumAvg: 3.285 atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } ::sumAvg: 4.89 atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 4.545 atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } atom: 1051 113V-HG1 G1 0.98 ambi=2 { CG1:20.7 } :: atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } atom: 1052 113V-HG2 G2 1.2 ambi=2 { CG2:24.7 } ::sumAvg: 4.95 atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } ::sumAvg: 4.26 atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } ::sumAvg: 4.26 atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } atom: 673 78V-H N 7.62 ambi=1 { N:116.8 } ::sumAvg: 4.735 atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } atom: 683 79K-H N 8.57 ambi=1 { N:119.5 } ::sumAvg: 4.93 atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } ::sumAvg: 4.62 atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } atom: 1021 110L-HA A 3.9 ambi=1 { CA:58.5 } ::sumAvg: 4.79 atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } atom: 1024 110L-HG G 1.63 ambi=1 { CG:26.5 } ::sumAvg: 4.845 atom: 581 69Y-QE E 6.74 ambi=3 { CE1:117.6 } atom: 576 69Y-HA A 4.76 ambi=1 { CA:57.8 } ::sumAvg: 4.62 atom: 601 71H-HD2 D2 7.01 ambi=1 { CD2:119.9 } atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } ::sumAvg: 4.02 atom: 601 71H-HD2 D2 7.01 ambi=1 { CD2:119.9 } atom: 606 72K-H N 8.4 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.925 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } ::sumAvg: 4.635 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } :: atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } ::sumAvg: 4.36 atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } ::sumAvg: 3.83 atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 684 79K-HA A 3.78 ambi=1 { CA:61.8 } ::sumAvg: 4.56 atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 716 82F-H N 9.62 ambi=1 { N:121.4 } ::sumAvg: 4.165 atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 732 83L-HA A 3.9 ambi=1 { CA:57 } ::sumAvg: 3.59 atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 731 83L-H N 8.21 ambi=1 { N:117.4 } ::sumAvg: 3.345 atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 735 83L-HG G 2.06 ambi=1 { CG:27 } ::sumAvg: 4.24 atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } :: atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 757 85L-HB3 B 1.79 ambi=2 { CB:41.8 } ::sumAvg: 4.11 atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } ::sumAvg: 4.405 atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 3.415 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 732 83L-HA A 3.9 ambi=1 { CA:57 } ::sumAvg: 4.56 atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 3.835 atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } ::sumAvg: 4.325 atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } ::sumAvg: 4.335 atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } :: atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } ::sumAvg: 3.47 atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 4.46 atom: 846 93H-HD2 D2 6.89 ambi=1 { CD2:118.6 } atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } ::sumAvg: 4.995 atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } :: atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } ::sumAvg: 4.455 atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } atom: 810 90Y-H N 7.33 ambi=1 { N:116 } ::sumAvg: 3.345 atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } atom: 811 90Y-HA A 4.32 ambi=1 { CA:59.7 } ::sumAvg: 4.415 atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } ::sumAvg: 4.01 atom: 846 93H-HD2 D2 6.89 ambi=1 { CD2:118.6 } atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } ::sumAvg: 4.47 atom: 846 93H-HD2 D2 6.89 ambi=1 { CD2:118.6 } atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } ::sumAvg: 4.98 atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } ::sumAvg: 4.025 atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } ::sumAvg: 3.545 atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } atom: 899 99F-H N 8.26 ambi=1 { N:119.1 } ::sumAvg: 4.18 atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } ::sumAvg: 4.57 atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } :: atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } ::sumAvg: 4.37 atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } atom: 914 100K-H N 8.5 ambi=1 { N:121.7 } ::sumAvg: 3.575 atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } atom: 915 100K-HA A 3.98 ambi=1 { CA:59.3 } ::sumAvg: 3.45 atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } atom: 916 100K-HB2 B 1.97 ambi=2 { CB:31.9 } :: atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } atom: 917 100K-HB3 B 2.02 ambi=2 { CB:31.9 } ::sumAvg: 4.395 atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } atom: 939 102I-HB B 1.55 ambi=1 { CB:37.7 } ::sumAvg: 4.325 atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } ::sumAvg: 4.55 atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } ::sumAvg: 4.455 atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } atom: 950 103T-H N 7.93 ambi=1 { N:117.9 } ::sumAvg: 4.69 atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } atom: 952 103T-HB B 4.09 ambi=1 { CB:67.7 } ::sumAvg: 4.745 atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } atom: 953 103T-HG1 G1 3.26 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.49 atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } atom: 954 103T-HG2 G2 1 ambi=1 { CG2:21.1 } ::sumAvg: 4.99 atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } atom: 915 100K-HA A 3.98 ambi=1 { CA:59.3 } ::sumAvg: 4.9 atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } atom: 953 103T-HG1 G1 3.26 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.155 atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } atom: 954 103T-HG2 G2 1 ambi=1 { CG2:21.1 } ::sumAvg: 4.305 atom: 907 99F-HZ Z 6.67 ambi=1 { CZ:128.2 } atom: 953 103T-HG1 G1 3.26 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.11 atom: 1003 108Y-QD D 7.13 ambi=3 { CD1:132.7 } atom: 960 104E-HA A 3.92 ambi=1 { CA:59.5 } ::sumAvg: 4.47 atom: 1037 111H-HD2 D2 6.95 ambi=1 { CD2:119.7 } atom: 1000 108Y-HA A 4.17 ambi=1 { CA:61.8 } ::sumAvg: 4.105 atom: 1003 108Y-QD D 7.13 ambi=3 { CD1:132.7 } atom: 1035 111H-HB2 B 2.98 ambi=2 { CB:29.7 } :: atom: 1003 108Y-QD D 7.13 ambi=3 { CD1:132.7 } atom: 1036 111H-HB3 B 3 ambi=2 { CB:29.7 } ::sumAvg: 4.625 atom: 1037 111H-HD2 D2 6.95 ambi=1 { CD2:119.7 } atom: 1042 112A-H N 7.92 ambi=1 { N:122.9 } ::sumAvg: 4.93 # Missing interactons for c_ali.peaks atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } atom: 50 10T-HG1 G1 5.21 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.64 atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } ::sumAvg: 3.11 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } ::sumAvg: 2.04 atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } ::sumAvg: 3.39 atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } atom: 25 8E-H N 7.91 ambi=1 { N:119 } ::sumAvg: 4.465 atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } atom: 35 9M-H N 8.52 ambi=1 { N:117.5 } ::sumAvg: 3.505 atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } ::sumAvg: 3.03 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } ::sumAvg: 3.03 atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } :: atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } ::sumAvg: 3.62 atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } atom: 47 10T-H N 8.47 ambi=1 { N:116.6 } ::sumAvg: 4.285 atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } ::sumAvg: 4.73 atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } ::sumAvg: 4.73 atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } ::sumAvg: 4.6 atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } atom: 454 57G-HA2 A 3.49 ambi=2 { CA:47.1 } ::sumAvg: 4.68 atom: 454 57G-HA2 A 3.49 ambi=2 { CA:47.1 } atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } ::sumAvg: 4.68 atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } ::sumAvg: 3.995 atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } atom: 1 6L-HA A 4.23 ambi=1 { CA:58 } ::sumAvg: 3.995 atom: 2 6L-HB2 B 1.44 ambi=2 { CB:40.9 } atom: 50 10T-HG1 G1 5.21 ambi=1 {attached_atom is not_assigned} :: atom: 3 6L-HB3 B 1.79 ambi=2 { CB:40.9 } atom: 50 10T-HG1 G1 5.21 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.47 atom: 3 6L-HB3 B 1.79 ambi=2 { CB:40.9 } atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } ::sumAvg: 2.485 atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } atom: 3 6L-HB3 B 1.79 ambi=2 { CB:40.9 } ::sumAvg: 2.485 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 2 6L-HB2 B 1.44 ambi=2 { CB:40.9 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 2 6L-HB2 B 1.44 ambi=2 { CB:40.9 } :: atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 3 6L-HB3 B 1.79 ambi=2 { CB:40.9 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 3 6L-HB3 B 1.79 ambi=2 { CB:40.9 } ::sumAvg: 2.315 atom: 2 6L-HB2 B 1.44 ambi=2 { CB:40.9 } atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } :: atom: 3 6L-HB3 B 1.79 ambi=2 { CB:40.9 } atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } ::sumAvg: 2.89 atom: 2 6L-HB2 B 1.44 ambi=2 { CB:40.9 } atom: 13 7L-HA A 3.97 ambi=1 { CA:58.5 } :: atom: 3 6L-HB3 B 1.79 ambi=2 { CB:40.9 } atom: 13 7L-HA A 3.97 ambi=1 { CA:58.5 } ::sumAvg: 4.345 atom: 15 7L-HB3 B 1.91 ambi=2 { CB:41 } atom: 2 6L-HB2 B 1.44 ambi=2 { CB:40.9 } ::sumAvg: 4.545 atom: 2 6L-HB2 B 1.44 ambi=2 { CB:40.9 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } :: atom: 3 6L-HB3 B 1.79 ambi=2 { CB:40.9 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } ::sumAvg: 4.805 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 2 6L-HB2 B 1.44 ambi=2 { CB:40.9 } :: atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 3 6L-HB3 B 1.79 ambi=2 { CB:40.9 } ::sumAvg: 4.805 atom: 1094 117I-HG12 G1 0.96 ambi=2 { CG1:29.3 } atom: 2 6L-HB2 B 1.44 ambi=2 { CB:40.9 } :: atom: 1095 117I-HG13 G1 1.93 ambi=2 { CG1:29.3 } atom: 2 6L-HB2 B 1.44 ambi=2 { CB:40.9 } :: atom: 1094 117I-HG12 G1 0.96 ambi=2 { CG1:29.3 } atom: 3 6L-HB3 B 1.79 ambi=2 { CB:40.9 } ::sumAvg: 3.985 atom: 1096 117I-HG2 G2 0.95 ambi=1 { CG2:17.6 } atom: 2 6L-HB2 B 1.44 ambi=2 { CB:40.9 } :: atom: 1096 117I-HG2 G2 0.95 ambi=1 { CG2:17.6 } atom: 3 6L-HB3 B 1.79 ambi=2 { CB:40.9 } ::sumAvg: 3.27 atom: 2 6L-HB2 B 1.44 ambi=2 { CB:40.9 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } :: atom: 3 6L-HB3 B 1.79 ambi=2 { CB:40.9 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } ::sumAvg: 2.94 atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } atom: 50 10T-HG1 G1 5.21 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.98 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 50 10T-HG1 G1 5.21 ambi=1 {attached_atom is not_assigned} :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 50 10T-HG1 G1 5.21 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.415 atom: 1050 113V-HB B 2.52 ambi=1 { CB:31 } atom: 50 10T-HG1 G1 5.21 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.975 atom: 1059 114K-HA A 3.81 ambi=1 { CA:60.8 } atom: 50 10T-HG1 G1 5.21 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.875 atom: 1060 114K-HB2 B 1.8 ambi=2 { CB:31.5 } atom: 50 10T-HG1 G1 5.21 ambi=1 {attached_atom is not_assigned} :: atom: 1061 114K-HB3 B 2.05 ambi=2 { CB:31.5 } atom: 50 10T-HG1 G1 5.21 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.905 atom: 58 11E-HB2 B 2.08 ambi=2 { CB:29.2 } atom: 51 10T-HG2 G2 1.21 ambi=1 { CG2:22.6 } :: atom: 59 11E-HB3 B 1.97 ambi=2 { CB:29.2 } atom: 51 10T-HG2 G2 1.21 ambi=1 { CG2:22.6 } ::sumAvg: 4.555 atom: 57 11E-HA A 3.91 ambi=1 { CA:59.4 } atom: 51 10T-HG2 G2 1.21 ambi=1 { CG2:22.6 } ::sumAvg: 3.295 atom: 60 11E-HG2 G 2.06 ambi=2 { CG:36.8 } atom: 51 10T-HG2 G2 1.21 ambi=1 { CG2:22.6 } :: atom: 61 11E-HG3 G 2.46 ambi=2 { CG:36.8 } atom: 51 10T-HG2 G2 1.21 ambi=1 { CG2:22.6 } ::sumAvg: 4.755 atom: 51 10T-HG2 G2 1.21 ambi=1 { CG2:22.6 } atom: 91 14I-H N 8.04 ambi=1 { N:119.4 } ::sumAvg: 4.08 atom: 51 10T-HG2 G2 1.21 ambi=1 { CG2:22.6 } atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } ::sumAvg: 4.24 atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } atom: 51 10T-HG2 G2 1.21 ambi=1 { CG2:22.6 } ::sumAvg: 4.24 atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } atom: 51 10T-HG2 G2 1.21 ambi=1 { CG2:22.6 } ::sumAvg: 2.495 atom: 1024 110L-HG G 1.63 ambi=1 { CG:26.5 } atom: 51 10T-HG2 G2 1.21 ambi=1 { CG2:22.6 } ::sumAvg: 4.295 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 51 10T-HG2 G2 1.21 ambi=1 { CG2:22.6 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 51 10T-HG2 G2 1.21 ambi=1 { CG2:22.6 } ::sumAvg: 2.165 atom: 1034 111H-HA A 4 ambi=1 { CA:60.9 } atom: 51 10T-HG2 G2 1.21 ambi=1 { CG2:22.6 } ::sumAvg: 4.02 atom: 51 10T-HG2 G2 1.21 ambi=1 { CG2:22.6 } atom: 1048 113V-H N 8.3 ambi=1 { N:119 } ::sumAvg: 4.38 atom: 51 10T-HG2 G2 1.21 ambi=1 { CG2:22.6 } atom: 1066 114K-QE E 2.88 ambi=2 { CE:41.3 } ::sumAvg: 4.98 atom: 1066 114K-QE E 2.88 ambi=2 { CE:41.3 } atom: 51 10T-HG2 G2 1.21 ambi=1 { CG2:22.6 } ::sumAvg: 4.98 atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } atom: 50 10T-HG1 G1 5.21 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.295 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } ::sumAvg: 2.125 atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } ::sumAvg: 3.97 atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } atom: 13 7L-HA A 3.97 ambi=1 { CA:58.5 } ::sumAvg: 4.915 atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } ::sumAvg: 4.955 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } ::sumAvg: 4.955 atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } atom: 454 57G-HA2 A 3.49 ambi=2 { CA:47.1 } :: atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } atom: 455 57G-HA3 A 3.85 ambi=2 { CA:47.1 } ::sumAvg: 4.815 atom: 454 57G-HA2 A 3.49 ambi=2 { CA:47.1 } atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } :: atom: 455 57G-HA3 A 3.85 ambi=2 { CA:47.1 } atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } ::sumAvg: 4.815 atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } :: atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } ::sumAvg: 4.24 atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } :: atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } ::sumAvg: 4.24 atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } atom: 1094 117I-HG12 G1 0.96 ambi=2 { CG1:29.3 } :: atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } atom: 1095 117I-HG13 G1 1.93 ambi=2 { CG1:29.3 } ::sumAvg: 4.285 atom: 1094 117I-HG12 G1 0.96 ambi=2 { CG1:29.3 } atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } :: atom: 1095 117I-HG13 G1 1.93 ambi=2 { CG1:29.3 } atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } ::sumAvg: 4.285 atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } atom: 1096 117I-HG2 G2 0.95 ambi=1 { CG2:17.6 } ::sumAvg: 4.045 atom: 4 6L-HG G 1.37 ambi=1 { CG:26.5 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } ::sumAvg: 3.29 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 50 10T-HG1 G1 5.21 ambi=1 {attached_atom is not_assigned} :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 50 10T-HG1 G1 5.21 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.925 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } ::sumAvg: 4.325 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 35 9M-H N 8.52 ambi=1 { N:117.5 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 35 9M-H N 8.52 ambi=1 { N:117.5 } ::sumAvg: 4.745 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } ::sumAvg: 3.39 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } :: atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } ::sumAvg: 3.39 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } :: atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } ::sumAvg: 4.315 atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } :: atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } :: atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } :: atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } ::sumAvg: 4.315 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 41 9M-HE E 2 ambi=1 { CE:17.6 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 41 9M-HE E 2 ambi=1 { CE:17.6 } ::sumAvg: 4.15 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 47 10T-H N 8.47 ambi=1 { N:116.6 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 47 10T-H N 8.47 ambi=1 { N:116.6 } ::sumAvg: 4.715 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } ::sumAvg: 3.39 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } :: atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } ::sumAvg: 4.98 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } :: atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } ::sumAvg: 4.98 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } ::sumAvg: 3.86 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } ::sumAvg: 4.61 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 453 57G-H N 7.65 ambi=1 { N:106 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 453 57G-H N 7.65 ambi=1 { N:106 } ::sumAvg: 3.505 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 454 57G-HA2 A 3.49 ambi=2 { CA:47.1 } :: atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 455 57G-HA3 A 3.85 ambi=2 { CA:47.1 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 454 57G-HA2 A 3.49 ambi=2 { CA:47.1 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 455 57G-HA3 A 3.85 ambi=2 { CA:47.1 } ::sumAvg: 2.305 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 459 58A-HA A 3.64 ambi=1 { CA:54.5 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 459 58A-HA A 3.64 ambi=1 { CA:54.5 } ::sumAvg: 2.645 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 458 58A-H N 8.95 ambi=1 { N:127.4 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 458 58A-H N 8.95 ambi=1 { N:127.4 } ::sumAvg: 3.19 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 464 59L-H N 8.37 ambi=1 { N:116.8 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 464 59L-H N 8.37 ambi=1 { N:116.8 } ::sumAvg: 4.92 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 479 60E-HB2 B 2.04 ambi=2 { CB:28.9 } :: atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 480 60E-HB3 B 2.08 ambi=2 { CB:28.9 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 479 60E-HB2 B 2.04 ambi=2 { CB:28.9 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 480 60E-HB3 B 2.08 ambi=2 { CB:28.9 } ::sumAvg: 4.385 atom: 479 60E-HB2 B 2.04 ambi=2 { CB:28.9 } atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } :: atom: 480 60E-HB3 B 2.08 ambi=2 { CB:28.9 } atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } :: atom: 479 60E-HB2 B 2.04 ambi=2 { CB:28.9 } atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } :: atom: 480 60E-HB3 B 2.08 ambi=2 { CB:28.9 } atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } ::sumAvg: 4.385 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 487 61L-H N 7.7 ambi=1 { N:120.8 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 487 61L-H N 7.7 ambi=1 { N:120.8 } ::sumAvg: 3.935 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 488 61L-HA A 4 ambi=1 { CA:58.1 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 488 61L-HA A 4 ambi=1 { CA:58.1 } ::sumAvg: 4.505 atom: 488 61L-HA A 4 ambi=1 { CA:58.1 } atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } :: atom: 488 61L-HA A 4 ambi=1 { CA:58.1 } atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } ::sumAvg: 4.505 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 489 61L-HB2 B 2.04 ambi=2 { CB:41.4 } :: atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 490 61L-HB3 B 1.38 ambi=2 { CB:41.4 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 489 61L-HB2 B 2.04 ambi=2 { CB:41.4 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 490 61L-HB3 B 1.38 ambi=2 { CB:41.4 } ::sumAvg: 3.245 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 491 61L-HG G 1.44 ambi=1 { CG:26.6 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 491 61L-HG G 1.44 ambi=1 { CG:26.6 } ::sumAvg: 4.025 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 1052 113V-HG2 G2 1.2 ambi=2 { CG2:24.7 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 1051 113V-HG1 G1 0.98 ambi=2 { CG1:20.7 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 1052 113V-HG2 G2 1.2 ambi=2 { CG2:24.7 } ::sumAvg: 3.28 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } ::sumAvg: 4.795 atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } :: atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } ::sumAvg: 4.795 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 1093 117I-HB B 1.94 ambi=1 { CB:38.6 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 1093 117I-HB B 1.94 ambi=1 { CB:38.6 } ::sumAvg: 4.875 atom: 1093 117I-HB B 1.94 ambi=1 { CB:38.6 } atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } :: atom: 1093 117I-HB B 1.94 ambi=1 { CB:38.6 } atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } ::sumAvg: 4.875 atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } atom: 1095 117I-HG13 G1 1.93 ambi=2 { CG1:29.3 } :: atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } atom: 1095 117I-HG13 G1 1.93 ambi=2 { CG1:29.3 } ::sumAvg: 3.085 atom: 1095 117I-HG13 G1 1.93 ambi=2 { CG1:29.3 } atom: 5 6L-HD1 D1 0.66 ambi=2 { CD1:26.5 } :: atom: 1095 117I-HG13 G1 1.93 ambi=2 { CG1:29.3 } atom: 6 6L-HD2 D2 0.58 ambi=2 { CD2:23.9 } ::sumAvg: 3.085 atom: 14 7L-HB2 B 1.64 ambi=2 { CB:41 } atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } :: atom: 15 7L-HB3 B 1.91 ambi=2 { CB:41 } atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } ::sumAvg: 2.28 atom: 16 7L-HG G 1.62 ambi=1 { CG:26.8 } atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } ::sumAvg: 3.435 atom: 27 8E-HB2 B 2.05 ambi=2 { CB:29.2 } atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } :: atom: 28 8E-HB3 B 2.31 ambi=2 { CB:29.2 } atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } ::sumAvg: 4.735 atom: 1096 117I-HG2 G2 0.95 ambi=1 { CG2:17.6 } atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } ::sumAvg: 3.635 atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } atom: 12 7L-H N 8.97 ambi=1 { N:124.3 } ::sumAvg: 3.535 atom: 13 7L-HA A 3.97 ambi=1 { CA:58.5 } atom: 51 10T-HG2 G2 1.21 ambi=1 { CG2:22.6 } ::sumAvg: 3.91 atom: 13 7L-HA A 3.97 ambi=1 { CA:58.5 } atom: 25 8E-H N 7.91 ambi=1 { N:119 } ::sumAvg: 3.5 atom: 13 7L-HA A 3.97 ambi=1 { CA:58.5 } atom: 35 9M-H N 8.52 ambi=1 { N:117.5 } ::sumAvg: 4.3 atom: 13 7L-HA A 3.97 ambi=1 { CA:58.5 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } ::sumAvg: 4.98 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 13 7L-HA A 3.97 ambi=1 { CA:58.5 } ::sumAvg: 4.98 atom: 14 7L-HB2 B 1.64 ambi=2 { CB:41 } atom: 26 8E-HA A 4.04 ambi=1 { CA:59.5 } :: atom: 15 7L-HB3 B 1.91 ambi=2 { CB:41 } atom: 26 8E-HA A 4.04 ambi=1 { CA:59.5 } ::sumAvg: 4.37 atom: 14 7L-HB2 B 1.64 ambi=2 { CB:41 } atom: 27 8E-HB2 B 2.05 ambi=2 { CB:29.2 } :: atom: 14 7L-HB2 B 1.64 ambi=2 { CB:41 } atom: 28 8E-HB3 B 2.31 ambi=2 { CB:29.2 } :: atom: 15 7L-HB3 B 1.91 ambi=2 { CB:41 } atom: 28 8E-HB3 B 2.31 ambi=2 { CB:29.2 } ::sumAvg: 4.695 atom: 27 8E-HB2 B 2.05 ambi=2 { CB:29.2 } atom: 14 7L-HB2 B 1.64 ambi=2 { CB:41 } :: atom: 28 8E-HB3 B 2.31 ambi=2 { CB:29.2 } atom: 14 7L-HB2 B 1.64 ambi=2 { CB:41 } :: atom: 28 8E-HB3 B 2.31 ambi=2 { CB:29.2 } atom: 15 7L-HB3 B 1.91 ambi=2 { CB:41 } ::sumAvg: 4.695 atom: 14 7L-HB2 B 1.64 ambi=2 { CB:41 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } :: atom: 15 7L-HB3 B 1.91 ambi=2 { CB:41 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } ::sumAvg: 4.63 atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 14 7L-HB2 B 1.64 ambi=2 { CB:41 } :: atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 15 7L-HB3 B 1.91 ambi=2 { CB:41 } ::sumAvg: 4.63 atom: 14 7L-HB2 B 1.64 ambi=2 { CB:41 } atom: 56 11E-H N 8.5 ambi=1 { N:119.4 } :: atom: 15 7L-HB3 B 1.91 ambi=2 { CB:41 } atom: 56 11E-H N 8.5 ambi=1 { N:119.4 } ::sumAvg: 4.875 atom: 14 7L-HB2 B 1.64 ambi=2 { CB:41 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } :: atom: 15 7L-HB3 B 1.91 ambi=2 { CB:41 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } ::sumAvg: 3.7 atom: 16 7L-HG G 1.62 ambi=1 { CG:26.8 } atom: 50 10T-HG1 G1 5.21 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.885 atom: 16 7L-HG G 1.62 ambi=1 { CG:26.8 } atom: 51 10T-HG2 G2 1.21 ambi=1 { CG2:22.6 } ::sumAvg: 4.875 atom: 16 7L-HG G 1.62 ambi=1 { CG:26.8 } atom: 25 8E-H N 7.91 ambi=1 { N:119 } ::sumAvg: 4.375 atom: 16 7L-HG G 1.62 ambi=1 { CG:26.8 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } ::sumAvg: 4.465 atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 16 7L-HG G 1.62 ambi=1 { CG:26.8 } ::sumAvg: 4.465 atom: 1059 114K-HA A 3.81 ambi=1 { CA:60.8 } atom: 16 7L-HG G 1.62 ambi=1 { CG:26.8 } ::sumAvg: 4.33 atom: 16 7L-HG G 1.62 ambi=1 { CG:26.8 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } ::sumAvg: 3.55 atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 17 7L-HD1 D1 0.96 ambi=2 { CD1:25.5 } :: atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 18 7L-HD2 D2 0.94 ambi=2 { CD2:23 } ::sumAvg: 2.915 atom: 17 7L-HD1 D1 0.96 ambi=2 { CD1:25.5 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } :: atom: 18 7L-HD2 D2 0.94 ambi=2 { CD2:23 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } ::sumAvg: 4.505 atom: 17 7L-HD1 D1 0.96 ambi=2 { CD1:25.5 } atom: 1058 114K-H N 8.22 ambi=1 { N:120.6 } :: atom: 18 7L-HD2 D2 0.94 ambi=2 { CD2:23 } atom: 1058 114K-H N 8.22 ambi=1 { N:120.6 } ::sumAvg: 4.56 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 25 8E-H N 7.91 ambi=1 { N:119 } ::sumAvg: 4.685 atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } atom: 25 8E-H N 7.91 ambi=1 { N:119 } :: atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } atom: 25 8E-H N 7.91 ambi=1 { N:119 } ::sumAvg: 4.72 atom: 27 8E-HB2 B 2.05 ambi=2 { CB:29.2 } atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } :: atom: 28 8E-HB3 B 2.31 ambi=2 { CB:29.2 } atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } ::sumAvg: 3.42 atom: 29 8E-HG2 G 2.29 ambi=2 { CG:36.8 } atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } ::sumAvg: 4.935 atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } atom: 29 8E-HG2 G 2.29 ambi=2 { CG:36.8 } ::sumAvg: 4.935 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 35 9M-H N 8.52 ambi=1 { N:117.5 } ::sumAvg: 2.345 atom: 36 9M-HA A 4.03 ambi=1 { CA:59.9 } atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } ::sumAvg: 4.8 atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } atom: 36 9M-HA A 4.03 ambi=1 { CA:59.9 } ::sumAvg: 4.8 atom: 36 9M-HA A 4.03 ambi=1 { CA:59.9 } atom: 66 12Q-H N 8.14 ambi=1 { N:120.4 } ::sumAvg: 3.475 atom: 36 9M-HA A 4.03 ambi=1 { CA:59.9 } atom: 79 13M-H N 8.12 ambi=1 { N:118.5 } ::sumAvg: 4.09 atom: 36 9M-HA A 4.03 ambi=1 { CA:59.9 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } ::sumAvg: 4.14 atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 36 9M-HA A 4.03 ambi=1 { CA:59.9 } ::sumAvg: 4.14 atom: 36 9M-HA A 4.03 ambi=1 { CA:59.9 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } :: atom: 36 9M-HA A 4.03 ambi=1 { CA:59.9 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } ::sumAvg: 4.775 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 36 9M-HA A 4.03 ambi=1 { CA:59.9 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 36 9M-HA A 4.03 ambi=1 { CA:59.9 } ::sumAvg: 4.775 atom: 36 9M-HA A 4.03 ambi=1 { CA:59.9 } atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } ::sumAvg: 4.5 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 50 10T-HG1 G1 5.21 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.165 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 47 10T-H N 8.47 ambi=1 { N:116.6 } ::sumAvg: 2.545 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } ::sumAvg: 3.855 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } ::sumAvg: 4.76 atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } ::sumAvg: 4.76 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 56 11E-H N 8.5 ambi=1 { N:119.4 } ::sumAvg: 4.785 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 68 12Q-HB2 B 2.09 ambi=2 { CB:27.8 } ::sumAvg: 4.37 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 66 12Q-H N 8.14 ambi=1 { N:120.4 } ::sumAvg: 4.87 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 79 13M-H N 8.12 ambi=1 { N:118.5 } ::sumAvg: 4.775 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } ::sumAvg: 3.83 atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } ::sumAvg: 3.83 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 381 50L-HA A 4.16 ambi=1 { CA:58 } ::sumAvg: 4.56 atom: 381 50L-HA A 4.16 ambi=1 { CA:58 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } ::sumAvg: 4.56 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 384 50L-HG G 1.56 ambi=1 { CG:26.8 } ::sumAvg: 4.9 atom: 384 50L-HG G 1.56 ambi=1 { CG:26.8 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } ::sumAvg: 4.9 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } :: atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } ::sumAvg: 3.095 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 407 53R-HB2 B 2.11 ambi=2 { CB:30.9 } :: atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 408 53R-HB3 B 1.9 ambi=2 { CB:30.9 } ::sumAvg: 4.62 atom: 407 53R-HB2 B 2.11 ambi=2 { CB:30.9 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } :: atom: 408 53R-HB3 B 1.9 ambi=2 { CB:30.9 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } ::sumAvg: 4.62 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 418 54W-H N 9.27 ambi=1 { N:124 } ::sumAvg: 4.065 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } ::sumAvg: 3.07 atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } ::sumAvg: 3.07 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } :: atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } ::sumAvg: 2.515 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } ::sumAvg: 2.515 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } ::sumAvg: 2.39 atom: 37 9M-QB B 2.52 ambi=2 { CB:36 } atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } ::sumAvg: 4.62 atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } atom: 381 50L-HA A 4.16 ambi=1 { CA:58 } :: atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } atom: 381 50L-HA A 4.16 ambi=1 { CA:58 } ::sumAvg: 4.51 atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } :: atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } :: atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } :: atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } ::sumAvg: 3.255 atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } atom: 408 53R-HB3 B 1.9 ambi=2 { CB:30.9 } :: atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } atom: 407 53R-HB2 B 2.11 ambi=2 { CB:30.9 } :: atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } atom: 408 53R-HB3 B 1.9 ambi=2 { CB:30.9 } ::sumAvg: 4.095 atom: 408 53R-HB3 B 1.9 ambi=2 { CB:30.9 } atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } :: atom: 407 53R-HB2 B 2.11 ambi=2 { CB:30.9 } atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } :: atom: 408 53R-HB3 B 1.9 ambi=2 { CB:30.9 } atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } ::sumAvg: 4.095 atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } atom: 418 54W-H N 9.27 ambi=1 { N:124 } :: atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } atom: 418 54W-H N 9.27 ambi=1 { N:124 } ::sumAvg: 4.83 atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } :: atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } ::sumAvg: 4.16 atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } :: atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } ::sumAvg: 4.16 atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } :: atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } :: atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } ::sumAvg: 4.405 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 39 9M-HG2 G 2.42 ambi=2 { CG:32.9 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 40 9M-HG3 G 2.78 ambi=2 { CG:32.9 } ::sumAvg: 4.405 atom: 41 9M-HE E 2 ambi=1 { CE:17.6 } atom: 381 50L-HA A 4.16 ambi=1 { CA:58 } ::sumAvg: 4.91 atom: 41 9M-HE E 2 ambi=1 { CE:17.6 } atom: 411 53R-QD D 3.27 ambi=2 { CD:43.5 } ::sumAvg: 4.34 atom: 41 9M-HE E 2 ambi=1 { CE:17.6 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } :: atom: 41 9M-HE E 2 ambi=1 { CE:17.6 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } ::sumAvg: 3.9 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 41 9M-HE E 2 ambi=1 { CE:17.6 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 41 9M-HE E 2 ambi=1 { CE:17.6 } ::sumAvg: 3.9 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 47 10T-H N 8.47 ambi=1 { N:116.6 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 47 10T-H N 8.47 ambi=1 { N:116.6 } ::sumAvg: 4.875 atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } atom: 50 10T-HG1 G1 5.21 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.22 atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } ::sumAvg: 3.03 atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } :: atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } ::sumAvg: 2.905 atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } ::sumAvg: 4.065 atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } ::sumAvg: 4.065 atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } ::sumAvg: 3.93 atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } ::sumAvg: 4.635 atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } ::sumAvg: 4.635 atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } atom: 91 14I-H N 8.04 ambi=1 { N:119.4 } ::sumAvg: 4.24 atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } ::sumAvg: 4.395 atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } ::sumAvg: 4.395 atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } ::sumAvg: 4.55 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } ::sumAvg: 4.55 atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } ::sumAvg: 2.94 atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } atom: 425 54W-HZ2 Z2 6.99 ambi=1 { CZ2:112.5 } ::sumAvg: 4.93 atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } :: atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } ::sumAvg: 4.3 atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 2.515 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 48 10T-HA A 3.55 ambi=1 { CA:67.2 } ::sumAvg: 2.515 atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 58 11E-HB2 B 2.08 ambi=2 { CB:29.2 } :: atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 59 11E-HB3 B 1.97 ambi=2 { CB:29.2 } ::sumAvg: 4.31 atom: 58 11E-HB2 B 2.08 ambi=2 { CB:29.2 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } :: atom: 59 11E-HB3 B 1.97 ambi=2 { CB:29.2 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } ::sumAvg: 4.31 atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 57 11E-HA A 3.91 ambi=1 { CA:59.4 } ::sumAvg: 4.265 atom: 57 11E-HA A 3.91 ambi=1 { CA:59.4 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } ::sumAvg: 4.265 atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 60 11E-HG2 G 2.06 ambi=2 { CG:36.8 } :: atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 61 11E-HG3 G 2.46 ambi=2 { CG:36.8 } ::sumAvg: 4.94 atom: 60 11E-HG2 G 2.06 ambi=2 { CG:36.8 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } :: atom: 61 11E-HG3 G 2.46 ambi=2 { CG:36.8 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } ::sumAvg: 4.94 atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } ::sumAvg: 4.965 atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } ::sumAvg: 4.965 atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } ::sumAvg: 4.03 atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } ::sumAvg: 4.03 atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } ::sumAvg: 4.57 atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } ::sumAvg: 3.945 atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 4.445 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } ::sumAvg: 4.445 atom: 1051 113V-HG1 G1 0.98 ambi=2 { CG1:20.7 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } :: atom: 1052 113V-HG2 G2 1.2 ambi=2 { CG2:24.7 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } ::sumAvg: 4.475 atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 1059 114K-HA A 3.81 ambi=1 { CA:60.8 } ::sumAvg: 4.59 atom: 1059 114K-HA A 3.81 ambi=1 { CA:60.8 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } ::sumAvg: 4.59 atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 1060 114K-HB2 B 1.8 ambi=2 { CB:31.5 } :: atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 1061 114K-HB3 B 2.05 ambi=2 { CB:31.5 } ::sumAvg: 4.12 atom: 1060 114K-HB2 B 1.8 ambi=2 { CB:31.5 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } :: atom: 1061 114K-HB3 B 2.05 ambi=2 { CB:31.5 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } ::sumAvg: 4.12 atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 1064 114K-QD D 1.49 ambi=2 { CD:29.5 } ::sumAvg: 4.835 atom: 1064 114K-QD D 1.49 ambi=2 { CD:29.5 } atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } ::sumAvg: 4.835 atom: 49 10T-HB B 4.49 ambi=1 { CB:68.5 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } ::sumAvg: 3.735 atom: 58 11E-HB2 B 2.08 ambi=2 { CB:29.2 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } :: atom: 59 11E-HB3 B 1.97 ambi=2 { CB:29.2 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } ::sumAvg: 4.08 atom: 68 12Q-HB2 B 2.09 ambi=2 { CB:27.8 } atom: 56 11E-H N 8.5 ambi=1 { N:119.4 } :: atom: 69 12Q-HB3 B 2.26 ambi=2 { CB:27.8 } atom: 56 11E-H N 8.5 ambi=1 { N:119.4 } ::sumAvg: 4.875 atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } atom: 56 11E-H N 8.5 ambi=1 { N:119.4 } ::sumAvg: 4.84 atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } atom: 56 11E-H N 8.5 ambi=1 { N:119.4 } ::sumAvg: 4.945 atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } atom: 57 11E-HA A 3.91 ambi=1 { CA:59.4 } ::sumAvg: 3.41 atom: 1064 114K-QD D 1.49 ambi=2 { CD:29.5 } atom: 57 11E-HA A 3.91 ambi=1 { CA:59.4 } ::sumAvg: 4.73 atom: 68 12Q-HB2 B 2.09 ambi=2 { CB:27.8 } atom: 72 12Q-HE21 E2 7.34 ambi=2 { NE2:110.1 } :: atom: 68 12Q-HB2 B 2.09 ambi=2 { CB:27.8 } atom: 73 12Q-HE22 E2 6.7 ambi=2 { NE2:110.1 } :: atom: 69 12Q-HB3 B 2.26 ambi=2 { CB:27.8 } atom: 72 12Q-HE21 E2 7.34 ambi=2 { NE2:110.1 } :: atom: 69 12Q-HB3 B 2.26 ambi=2 { CB:27.8 } atom: 73 12Q-HE22 E2 6.7 ambi=2 { NE2:110.1 } ::sumAvg: 4.43 atom: 68 12Q-HB2 B 2.09 ambi=2 { CB:27.8 } atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } :: atom: 68 12Q-HB2 B 2.09 ambi=2 { CB:27.8 } atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } :: atom: 69 12Q-HB3 B 2.26 ambi=2 { CB:27.8 } atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } :: atom: 69 12Q-HB3 B 2.26 ambi=2 { CB:27.8 } atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } ::sumAvg: 4.67 atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } atom: 68 12Q-HB2 B 2.09 ambi=2 { CB:27.8 } :: atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 68 12Q-HB2 B 2.09 ambi=2 { CB:27.8 } :: atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } atom: 69 12Q-HB3 B 2.26 ambi=2 { CB:27.8 } :: atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 69 12Q-HB3 B 2.26 ambi=2 { CB:27.8 } ::sumAvg: 4.67 atom: 68 12Q-HB2 B 2.09 ambi=2 { CB:27.8 } atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } :: atom: 69 12Q-HB3 B 2.26 ambi=2 { CB:27.8 } atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } ::sumAvg: 4.225 atom: 68 12Q-HB2 B 2.09 ambi=2 { CB:27.8 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } :: atom: 69 12Q-HB3 B 2.26 ambi=2 { CB:27.8 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } ::sumAvg: 3.345 atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 68 12Q-HB2 B 2.09 ambi=2 { CB:27.8 } :: atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 69 12Q-HB3 B 2.26 ambi=2 { CB:27.8 } ::sumAvg: 3.345 atom: 68 12Q-HB2 B 2.09 ambi=2 { CB:27.8 } atom: 91 14I-H N 8.04 ambi=1 { N:119.4 } :: atom: 69 12Q-HB3 B 2.26 ambi=2 { CB:27.8 } atom: 91 14I-H N 8.04 ambi=1 { N:119.4 } ::sumAvg: 4.875 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 68 12Q-HB2 B 2.09 ambi=2 { CB:27.8 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 68 12Q-HB2 B 2.09 ambi=2 { CB:27.8 } :: atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 69 12Q-HB3 B 2.26 ambi=2 { CB:27.8 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 69 12Q-HB3 B 2.26 ambi=2 { CB:27.8 } ::sumAvg: 4.195 atom: 68 12Q-HB2 B 2.09 ambi=2 { CB:27.8 } atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } :: atom: 69 12Q-HB3 B 2.26 ambi=2 { CB:27.8 } atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } ::sumAvg: 4.85 atom: 68 12Q-HB2 B 2.09 ambi=2 { CB:27.8 } atom: 384 50L-HG G 1.56 ambi=1 { CG:26.8 } :: atom: 69 12Q-HB3 B 2.26 ambi=2 { CB:27.8 } atom: 384 50L-HG G 1.56 ambi=1 { CG:26.8 } ::sumAvg: 4.485 atom: 61 11E-HG3 G 2.46 ambi=2 { CG:36.8 } atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } ::sumAvg: 4.65 atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } atom: 61 11E-HG3 G 2.46 ambi=2 { CG:36.8 } ::sumAvg: 4.65 atom: 60 11E-HG2 G 2.06 ambi=2 { CG:36.8 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } :: atom: 61 11E-HG3 G 2.46 ambi=2 { CG:36.8 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } ::sumAvg: 3.745 atom: 60 11E-HG2 G 2.06 ambi=2 { CG:36.8 } atom: 1066 114K-QE E 2.88 ambi=2 { CE:41.3 } :: atom: 61 11E-HG3 G 2.46 ambi=2 { CG:36.8 } atom: 1066 114K-QE E 2.88 ambi=2 { CE:41.3 } ::sumAvg: 4.975 atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } atom: 66 12Q-H N 8.14 ambi=1 { N:120.4 } ::sumAvg: 4.905 atom: 67 12Q-HA A 4.1 ambi=1 { CA:59 } atom: 72 12Q-HE21 E2 7.34 ambi=2 { NE2:110.1 } :: atom: 67 12Q-HA A 4.1 ambi=1 { CA:59 } atom: 73 12Q-HE22 E2 6.7 ambi=2 { NE2:110.1 } ::sumAvg: 4.3 atom: 67 12Q-HA A 4.1 ambi=1 { CA:59 } atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } :: atom: 67 12Q-HA A 4.1 ambi=1 { CA:59 } atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } ::sumAvg: 3.97 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 67 12Q-HA A 4.1 ambi=1 { CA:59 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 67 12Q-HA A 4.1 ambi=1 { CA:59 } ::sumAvg: 3.97 atom: 67 12Q-HA A 4.1 ambi=1 { CA:59 } atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } :: atom: 67 12Q-HA A 4.1 ambi=1 { CA:59 } atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } ::sumAvg: 4.405 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 72 12Q-HE21 E2 7.34 ambi=2 { NE2:110.1 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 72 12Q-HE21 E2 7.34 ambi=2 { NE2:110.1 } :: atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 73 12Q-HE22 E2 6.7 ambi=2 { NE2:110.1 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 73 12Q-HE22 E2 6.7 ambi=2 { NE2:110.1 } ::sumAvg: 4.245 atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 70 12Q-HG2 G 2.32 ambi=2 { CG:33.7 } :: atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 71 12Q-HG3 G 2.5 ambi=2 { CG:33.7 } ::sumAvg: 4.6 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 70 12Q-HG2 G 2.32 ambi=2 { CG:33.7 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 70 12Q-HG2 G 2.32 ambi=2 { CG:33.7 } :: atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 71 12Q-HG3 G 2.5 ambi=2 { CG:33.7 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 71 12Q-HG3 G 2.5 ambi=2 { CG:33.7 } ::sumAvg: 4.08 atom: 70 12Q-HG2 G 2.32 ambi=2 { CG:33.7 } atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } :: atom: 71 12Q-HG3 G 2.5 ambi=2 { CG:33.7 } atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } ::sumAvg: 4.845 atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } atom: 70 12Q-HG2 G 2.32 ambi=2 { CG:33.7 } :: atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } atom: 71 12Q-HG3 G 2.5 ambi=2 { CG:33.7 } ::sumAvg: 4.845 atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } :: atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } ::sumAvg: 4.415 atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } :: atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } ::sumAvg: 4.415 atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } :: atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } ::sumAvg: 4.91 atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } atom: 116 16V-HB B 2.29 ambi=1 { CB:31.9 } :: atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 116 16V-HB B 2.29 ambi=1 { CB:31.9 } ::sumAvg: 4.595 atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } :: atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } ::sumAvg: 4.725 atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } :: atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } ::sumAvg: 4.75 atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } :: atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } ::sumAvg: 4.975 atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } :: atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } ::sumAvg: 4.91 atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } :: atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } :: atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } :: atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } ::sumAvg: 4.585 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } :: atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } ::sumAvg: 4.585 atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } ::sumAvg: 4.26 atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } :: atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } ::sumAvg: 3.565 atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } :: atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } ::sumAvg: 4.13 atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } :: atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 3.175 atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } :: atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } ::sumAvg: 3.74 atom: 1024 110L-HG G 1.63 ambi=1 { CG:26.5 } atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } ::sumAvg: 4.52 atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } :: atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 2.3 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 81 13M-HB2 B 1.2 ambi=2 { CB:33.3 } :: atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 82 13M-HB3 B 1.61 ambi=2 { CB:33.3 } ::sumAvg: 2.3 atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } atom: 79 13M-H N 8.12 ambi=1 { N:118.5 } ::sumAvg: 4.33 atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } atom: 79 13M-H N 8.12 ambi=1 { N:118.5 } ::sumAvg: 4.64 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 79 13M-H N 8.12 ambi=1 { N:118.5 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 79 13M-H N 8.12 ambi=1 { N:118.5 } ::sumAvg: 4.745 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 79 13M-H N 8.12 ambi=1 { N:118.5 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 79 13M-H N 8.12 ambi=1 { N:118.5 } ::sumAvg: 4.1 atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } ::sumAvg: 4.02 atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } ::sumAvg: 4.805 atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } ::sumAvg: 4.805 atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } atom: 104 15E-H N 7.7 ambi=1 { N:119 } ::sumAvg: 4.37 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } ::sumAvg: 3.27 atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } ::sumAvg: 3.825 atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } ::sumAvg: 4.455 atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } ::sumAvg: 4.455 atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } ::sumAvg: 4.53 atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } ::sumAvg: 2.82 atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 4.045 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 80 13M-HA A 3.71 ambi=1 { CA:59.6 } ::sumAvg: 4.045 atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } atom: 104 15E-H N 7.7 ambi=1 { N:119 } ::sumAvg: 4.095 atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } atom: 987 107L-HA A 3.9 ambi=1 { CA:58.3 } ::sumAvg: 3.49 atom: 987 107L-HA A 3.9 ambi=1 { CA:58.3 } atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } ::sumAvg: 3.49 atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } ::sumAvg: 4.905 atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } ::sumAvg: 4.905 atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } atom: 1020 110L-H N 8.51 ambi=1 { N:121 } ::sumAvg: 4.705 atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } atom: 1021 110L-HA A 3.9 ambi=1 { CA:58.5 } ::sumAvg: 4.455 atom: 1021 110L-HA A 3.9 ambi=1 { CA:58.5 } atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } ::sumAvg: 4.455 atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } ::sumAvg: 2.19 atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 2.185 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } ::sumAvg: 2.185 atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } atom: 1033 111H-H N 8.44 ambi=1 { N:116.3 } ::sumAvg: 4.205 atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 116 16V-HB B 2.29 ambi=1 { CB:31.9 } ::sumAvg: 4.35 atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } ::sumAvg: 4.36 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } ::sumAvg: 4.36 atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } :: atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } ::sumAvg: 4.955 atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } ::sumAvg: 4.955 atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 381 50L-HA A 4.16 ambi=1 { CA:58 } ::sumAvg: 4.845 atom: 381 50L-HA A 4.16 ambi=1 { CA:58 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } ::sumAvg: 4.845 atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 382 50L-HB2 B 2.12 ambi=2 { CB:41.8 } :: atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } ::sumAvg: 3.355 atom: 382 50L-HB2 B 2.12 ambi=2 { CB:41.8 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } :: atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } ::sumAvg: 3.355 atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } ::sumAvg: 4.415 atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 394 51A-HA A 4.21 ambi=1 { CA:54.9 } ::sumAvg: 3.68 atom: 394 51A-HA A 4.21 ambi=1 { CA:54.9 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } ::sumAvg: 3.68 atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } ::sumAvg: 3.74 atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } :: atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } ::sumAvg: 3.805 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } ::sumAvg: 3.805 atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } ::sumAvg: 4.5 atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } :: atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } ::sumAvg: 4.985 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } ::sumAvg: 4.985 atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } ::sumAvg: 3.87 atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } ::sumAvg: 3.13 atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 3.175 atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 3.68 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 83 13M-QG G 1.2 ambi=2 { CG:33.4 } ::sumAvg: 3.68 atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } ::sumAvg: 4.65 atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } ::sumAvg: 4.65 atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } :: atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } ::sumAvg: 4.575 atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } :: atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } ::sumAvg: 3.545 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } ::sumAvg: 3.545 atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } ::sumAvg: 3.64 atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } ::sumAvg: 4.405 atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } ::sumAvg: 4.97 atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } ::sumAvg: 4.57 atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } ::sumAvg: 4.57 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } ::sumAvg: 2.755 atom: 674 78V-HA A 3.72 ambi=1 { CA:66.7 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } ::sumAvg: 4.77 atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } ::sumAvg: 3.995 atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } ::sumAvg: 3.995 atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } ::sumAvg: 2.105 atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } atom: 683 79K-H N 8.57 ambi=1 { N:119.5 } ::sumAvg: 4.62 atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } atom: 684 79K-HA A 3.78 ambi=1 { CA:61.8 } ::sumAvg: 3.43 atom: 684 79K-HA A 3.78 ambi=1 { CA:61.8 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } ::sumAvg: 3.43 atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } atom: 685 79K-HB2 B 1.92 ambi=2 { CB:31.5 } :: atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } atom: 686 79K-HB3 B 2.06 ambi=2 { CB:31.5 } ::sumAvg: 4.81 atom: 687 79K-HG2 G 1.48 ambi=2 { CG:24.9 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } :: atom: 688 79K-HG3 G 1.52 ambi=2 { CG:24.9 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } ::sumAvg: 4.95 atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } atom: 716 82F-H N 9.62 ambi=1 { N:121.4 } ::sumAvg: 4.585 atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } ::sumAvg: 4.245 atom: 1024 110L-HG G 1.63 ambi=1 { CG:26.5 } atom: 85 13M-HE E 0.3 ambi=1 { CE:14.2 } ::sumAvg: 3.8 atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } atom: 91 14I-H N 8.04 ambi=1 { N:119.4 } ::sumAvg: 2.285 atom: 106 15E-HB2 B 2.07 ambi=2 { CB:29.2 } atom: 91 14I-H N 8.04 ambi=1 { N:119.4 } :: atom: 107 15E-HB3 B 2.16 ambi=2 { CB:29.2 } atom: 91 14I-H N 8.04 ambi=1 { N:119.4 } ::sumAvg: 4.775 atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } atom: 91 14I-H N 8.04 ambi=1 { N:119.4 } ::sumAvg: 4.655 atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } atom: 91 14I-H N 8.04 ambi=1 { N:119.4 } :: atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } atom: 91 14I-H N 8.04 ambi=1 { N:119.4 } ::sumAvg: 4.97 atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } atom: 91 14I-H N 8.04 ambi=1 { N:119.4 } :: atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } atom: 91 14I-H N 8.04 ambi=1 { N:119.4 } ::sumAvg: 4.38 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 91 14I-H N 8.04 ambi=1 { N:119.4 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 91 14I-H N 8.04 ambi=1 { N:119.4 } ::sumAvg: 2.865 atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } ::sumAvg: 2.32 atom: 94 14I-QG1 G1 1.53 ambi=2 { CG1:29.6 } atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } ::sumAvg: 2.32 atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } ::sumAvg: 3.025 atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } atom: 105 15E-HA A 4.11 ambi=1 { CA:59.3 } ::sumAvg: 4.775 atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } atom: 114 16V-H N 8.41 ambi=1 { N:119.5 } ::sumAvg: 4.575 atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } atom: 130 18E-H N 8.85 ambi=1 { N:117.9 } ::sumAvg: 4.005 atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } atom: 132 18E-HB2 B 2.23 ambi=2 { CB:29.7 } :: atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } atom: 133 18E-HB3 B 1.96 ambi=2 { CB:29.7 } ::sumAvg: 4.975 atom: 132 18E-HB2 B 2.23 ambi=2 { CB:29.7 } atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } :: atom: 133 18E-HB3 B 1.96 ambi=2 { CB:29.7 } atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } ::sumAvg: 4.975 atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 4.97 atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } :: atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } ::sumAvg: 4.41 atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } atom: 987 107L-HA A 3.9 ambi=1 { CA:58.3 } ::sumAvg: 4 atom: 987 107L-HA A 3.9 ambi=1 { CA:58.3 } atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } ::sumAvg: 4 atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } :: atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } ::sumAvg: 2.945 atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } :: atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } ::sumAvg: 4.165 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 92 14I-HA A 3.27 ambi=1 { CA:65.7 } ::sumAvg: 2.4 atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } atom: 105 15E-HA A 4.11 ambi=1 { CA:59.3 } ::sumAvg: 4.435 atom: 105 15E-HA A 4.11 ambi=1 { CA:59.3 } atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } ::sumAvg: 4.435 atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } atom: 107 15E-HB3 B 2.16 ambi=2 { CB:29.2 } ::sumAvg: 4.54 atom: 107 15E-HB3 B 2.16 ambi=2 { CB:29.2 } atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } ::sumAvg: 4.54 atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } atom: 108 15E-HG2 G 2.21 ambi=2 { CG:36.4 } :: atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } atom: 109 15E-HG3 G 2.38 ambi=2 { CG:36.4 } ::sumAvg: 4.93 atom: 108 15E-HG2 G 2.21 ambi=2 { CG:36.4 } atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } :: atom: 109 15E-HG3 G 2.38 ambi=2 { CG:36.4 } atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } ::sumAvg: 4.93 atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } :: atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } ::sumAvg: 4.315 atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } ::sumAvg: 4.77 atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } ::sumAvg: 4.77 atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 4.045 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 93 14I-HB B 1.75 ambi=1 { CB:38 } ::sumAvg: 4.045 atom: 105 15E-HA A 4.11 ambi=1 { CA:59.3 } atom: 96 14I-HG2 G2 0.8 ambi=1 { CG2:16.7 } ::sumAvg: 3.165 atom: 96 14I-HG2 G2 0.8 ambi=1 { CG2:16.7 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } ::sumAvg: 3.835 atom: 132 18E-HB2 B 2.23 ambi=2 { CB:29.7 } atom: 96 14I-HG2 G2 0.8 ambi=1 { CG2:16.7 } :: atom: 133 18E-HB3 B 1.96 ambi=2 { CB:29.7 } atom: 96 14I-HG2 G2 0.8 ambi=1 { CG2:16.7 } ::sumAvg: 3.66 atom: 987 107L-HA A 3.9 ambi=1 { CA:58.3 } atom: 96 14I-HG2 G2 0.8 ambi=1 { CG2:16.7 } ::sumAvg: 4.32 atom: 96 14I-HG2 G2 0.8 ambi=1 { CG2:16.7 } atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } :: atom: 96 14I-HG2 G2 0.8 ambi=1 { CG2:16.7 } atom: 989 107L-HB3 B 1.44 ambi=2 { CB:41.2 } ::sumAvg: 4.645 atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } atom: 96 14I-HG2 G2 0.8 ambi=1 { CG2:16.7 } :: atom: 989 107L-HB3 B 1.44 ambi=2 { CB:41.2 } atom: 96 14I-HG2 G2 0.8 ambi=1 { CG2:16.7 } ::sumAvg: 4.645 atom: 96 14I-HG2 G2 0.8 ambi=1 { CG2:16.7 } atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } ::sumAvg: 4.45 atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } atom: 96 14I-HG2 G2 0.8 ambi=1 { CG2:16.7 } ::sumAvg: 4.45 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 96 14I-HG2 G2 0.8 ambi=1 { CG2:16.7 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 96 14I-HG2 G2 0.8 ambi=1 { CG2:16.7 } ::sumAvg: 3.8 atom: 987 107L-HA A 3.9 ambi=1 { CA:58.3 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } ::sumAvg: 4.945 atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } :: atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } ::sumAvg: 3.67 atom: 1021 110L-HA A 3.9 ambi=1 { CA:58.5 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } ::sumAvg: 4.44 atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } :: atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } ::sumAvg: 2.475 atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } atom: 1033 111H-H N 8.44 ambi=1 { N:116.3 } ::sumAvg: 3.915 atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } atom: 1035 111H-HB2 B 2.98 ambi=2 { CB:29.7 } :: atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } atom: 1036 111H-HB3 B 3 ambi=2 { CB:29.7 } ::sumAvg: 4.315 atom: 1035 111H-HB2 B 2.98 ambi=2 { CB:29.7 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } :: atom: 1036 111H-HB3 B 3 ambi=2 { CB:29.7 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } ::sumAvg: 4.315 atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } atom: 1037 111H-HD2 D2 6.95 ambi=1 { CD2:119.7 } ::sumAvg: 4.305 atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } atom: 1058 114K-H N 8.22 ambi=1 { N:120.6 } ::sumAvg: 4.605 atom: 1060 114K-HB2 B 1.8 ambi=2 { CB:31.5 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } :: atom: 1061 114K-HB3 B 2.05 ambi=2 { CB:31.5 } atom: 97 14I-HD1 D1 0.22 ambi=1 { CD1:12.6 } ::sumAvg: 3.35 atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } atom: 371 49E-HA A 4.07 ambi=1 { CA:59.5 } ::sumAvg: 4.765 atom: 371 49E-HA A 4.07 ambi=1 { CA:59.5 } atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } ::sumAvg: 4.765 atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } atom: 380 50L-H N 7.59 ambi=1 { N:119.5 } ::sumAvg: 4.375 atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } atom: 382 50L-HB2 B 2.12 ambi=2 { CB:41.8 } :: atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } ::sumAvg: 4.875 atom: 382 50L-HB2 B 2.12 ambi=2 { CB:41.8 } atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } :: atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } ::sumAvg: 4.875 atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } atom: 399 52A-H N 8.41 ambi=1 { N:119.4 } ::sumAvg: 4.065 atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } ::sumAvg: 4.66 atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 4.91 atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } atom: 735 83L-HG G 2.06 ambi=1 { CG:27 } ::sumAvg: 4.605 atom: 735 83L-HG G 2.06 ambi=1 { CG:27 } atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } ::sumAvg: 4.605 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } ::sumAvg: 2.51 atom: 365 48D-HB2 B 2.88 ambi=2 { CB:41.7 } atom: 372 49E-QB B 2.15 ambi=2 { CB:29.3 } :: atom: 366 48D-HB3 B 2.96 ambi=2 { CB:41.7 } atom: 372 49E-QB B 2.15 ambi=2 { CB:29.3 } ::sumAvg: 4.055 atom: 372 49E-QB B 2.15 ambi=2 { CB:29.3 } atom: 365 48D-HB2 B 2.88 ambi=2 { CB:41.7 } :: atom: 372 49E-QB B 2.15 ambi=2 { CB:29.3 } atom: 366 48D-HB3 B 2.96 ambi=2 { CB:41.7 } ::sumAvg: 4.055 atom: 365 48D-HB2 B 2.88 ambi=2 { CB:41.7 } atom: 375 49E-HG3 G 2.45 ambi=2 { CG:35.9 } :: atom: 365 48D-HB2 B 2.88 ambi=2 { CB:41.7 } atom: 374 49E-HG2 G 2.32 ambi=2 { CG:35.9 } :: atom: 366 48D-HB3 B 2.96 ambi=2 { CB:41.7 } atom: 375 49E-HG3 G 2.45 ambi=2 { CG:35.9 } :: atom: 366 48D-HB3 B 2.96 ambi=2 { CB:41.7 } atom: 374 49E-HG2 G 2.32 ambi=2 { CG:35.9 } ::sumAvg: 4.845 atom: 375 49E-HG3 G 2.45 ambi=2 { CG:35.9 } atom: 365 48D-HB2 B 2.88 ambi=2 { CB:41.7 } :: atom: 374 49E-HG2 G 2.32 ambi=2 { CG:35.9 } atom: 365 48D-HB2 B 2.88 ambi=2 { CB:41.7 } :: atom: 375 49E-HG3 G 2.45 ambi=2 { CG:35.9 } atom: 366 48D-HB3 B 2.96 ambi=2 { CB:41.7 } :: atom: 374 49E-HG2 G 2.32 ambi=2 { CG:35.9 } atom: 366 48D-HB3 B 2.96 ambi=2 { CB:41.7 } ::sumAvg: 4.845 atom: 365 48D-HB2 B 2.88 ambi=2 { CB:41.7 } atom: 380 50L-H N 7.59 ambi=1 { N:119.5 } :: atom: 366 48D-HB3 B 2.96 ambi=2 { CB:41.7 } atom: 380 50L-H N 7.59 ambi=1 { N:119.5 } ::sumAvg: 4.71 atom: 365 48D-HB2 B 2.88 ambi=2 { CB:41.7 } atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } :: atom: 365 48D-HB2 B 2.88 ambi=2 { CB:41.7 } atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } :: atom: 366 48D-HB3 B 2.96 ambi=2 { CB:41.7 } atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } :: atom: 366 48D-HB3 B 2.96 ambi=2 { CB:41.7 } atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } ::sumAvg: 2.75 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 365 48D-HB2 B 2.88 ambi=2 { CB:41.7 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 365 48D-HB2 B 2.88 ambi=2 { CB:41.7 } :: atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 366 48D-HB3 B 2.96 ambi=2 { CB:41.7 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 366 48D-HB3 B 2.96 ambi=2 { CB:41.7 } ::sumAvg: 2.75 atom: 116 16V-HB B 2.29 ambi=1 { CB:31.9 } atom: 104 15E-H N 7.7 ambi=1 { N:119 } ::sumAvg: 4.865 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 104 15E-H N 7.7 ambi=1 { N:119 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 104 15E-H N 7.7 ambi=1 { N:119 } ::sumAvg: 4.34 atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } atom: 104 15E-H N 7.7 ambi=1 { N:119 } ::sumAvg: 4.85 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 104 15E-H N 7.7 ambi=1 { N:119 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 104 15E-H N 7.7 ambi=1 { N:119 } ::sumAvg: 4.75 atom: 105 15E-HA A 4.11 ambi=1 { CA:59.3 } atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } ::sumAvg: 4.745 atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } atom: 105 15E-HA A 4.11 ambi=1 { CA:59.3 } ::sumAvg: 4.745 atom: 105 15E-HA A 4.11 ambi=1 { CA:59.3 } atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } ::sumAvg: 4.555 atom: 105 15E-HA A 4.11 ambi=1 { CA:59.3 } atom: 140 19K-H N 8.75 ambi=1 { N:119.2 } ::sumAvg: 3.96 atom: 105 15E-HA A 4.11 ambi=1 { CA:59.3 } atom: 148 19K-QE E 2.96 ambi=2 { CE:42.1 } ::sumAvg: 4.25 atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } atom: 106 15E-HB2 B 2.07 ambi=2 { CB:29.2 } :: atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } atom: 107 15E-HB3 B 2.16 ambi=2 { CB:29.2 } ::sumAvg: 4.235 atom: 106 15E-HB2 B 2.07 ambi=2 { CB:29.2 } atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } :: atom: 106 15E-HB2 B 2.07 ambi=2 { CB:29.2 } atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } :: atom: 107 15E-HB3 B 2.16 ambi=2 { CB:29.2 } atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } :: atom: 107 15E-HB3 B 2.16 ambi=2 { CB:29.2 } atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } ::sumAvg: 3.235 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 106 15E-HB2 B 2.07 ambi=2 { CB:29.2 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 106 15E-HB2 B 2.07 ambi=2 { CB:29.2 } :: atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 107 15E-HB3 B 2.16 ambi=2 { CB:29.2 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 107 15E-HB3 B 2.16 ambi=2 { CB:29.2 } ::sumAvg: 3.235 atom: 106 15E-HB2 B 2.07 ambi=2 { CB:29.2 } atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } :: atom: 107 15E-HB3 B 2.16 ambi=2 { CB:29.2 } atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } ::sumAvg: 4.975 atom: 106 15E-HB2 B 2.07 ambi=2 { CB:29.2 } atom: 146 19K-QD D 1.67 ambi=2 { CD:28.8 } :: atom: 107 15E-HB3 B 2.16 ambi=2 { CB:29.2 } atom: 146 19K-QD D 1.67 ambi=2 { CD:28.8 } ::sumAvg: 3.995 atom: 106 15E-HB2 B 2.07 ambi=2 { CB:29.2 } atom: 148 19K-QE E 2.96 ambi=2 { CE:42.1 } :: atom: 107 15E-HB3 B 2.16 ambi=2 { CB:29.2 } atom: 148 19K-QE E 2.96 ambi=2 { CE:42.1 } ::sumAvg: 3.765 atom: 108 15E-HG2 G 2.21 ambi=2 { CG:36.4 } atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } :: atom: 109 15E-HG3 G 2.38 ambi=2 { CG:36.4 } atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } ::sumAvg: 4.995 atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } atom: 108 15E-HG2 G 2.21 ambi=2 { CG:36.4 } :: atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } atom: 109 15E-HG3 G 2.38 ambi=2 { CG:36.4 } ::sumAvg: 4.995 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 108 15E-HG2 G 2.21 ambi=2 { CG:36.4 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 108 15E-HG2 G 2.21 ambi=2 { CG:36.4 } :: atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 109 15E-HG3 G 2.38 ambi=2 { CG:36.4 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 109 15E-HG3 G 2.38 ambi=2 { CG:36.4 } ::sumAvg: 4.55 atom: 133 18E-HB3 B 1.96 ambi=2 { CB:29.7 } atom: 109 15E-HG3 G 2.38 ambi=2 { CG:36.4 } ::sumAvg: 4.665 atom: 144 19K-HG2 G 1.54 ambi=2 { CG:25.7 } atom: 108 15E-HG2 G 2.21 ambi=2 { CG:36.4 } :: atom: 145 19K-HG3 G 1.69 ambi=2 { CG:25.7 } atom: 108 15E-HG2 G 2.21 ambi=2 { CG:36.4 } :: atom: 144 19K-HG2 G 1.54 ambi=2 { CG:25.7 } atom: 109 15E-HG3 G 2.38 ambi=2 { CG:36.4 } :: atom: 145 19K-HG3 G 1.69 ambi=2 { CG:25.7 } atom: 109 15E-HG3 G 2.38 ambi=2 { CG:36.4 } ::sumAvg: 4.265 atom: 146 19K-QD D 1.67 ambi=2 { CD:28.8 } atom: 108 15E-HG2 G 2.21 ambi=2 { CG:36.4 } :: atom: 146 19K-QD D 1.67 ambi=2 { CD:28.8 } atom: 109 15E-HG3 G 2.38 ambi=2 { CG:36.4 } ::sumAvg: 4.055 atom: 148 19K-QE E 2.96 ambi=2 { CE:42.1 } atom: 108 15E-HG2 G 2.21 ambi=2 { CG:36.4 } :: atom: 148 19K-QE E 2.96 ambi=2 { CE:42.1 } atom: 109 15E-HG3 G 2.38 ambi=2 { CG:36.4 } ::sumAvg: 3.31 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 114 16V-H N 8.41 ambi=1 { N:119.5 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 114 16V-H N 8.41 ambi=1 { N:119.5 } ::sumAvg: 2.265 atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } atom: 114 16V-H N 8.41 ambi=1 { N:119.5 } ::sumAvg: 4.31 atom: 146 19K-QD D 1.67 ambi=2 { CD:28.8 } atom: 114 16V-H N 8.41 ambi=1 { N:119.5 } ::sumAvg: 4.925 atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } atom: 114 16V-H N 8.41 ambi=1 { N:119.5 } :: atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } atom: 114 16V-H N 8.41 ambi=1 { N:119.5 } ::sumAvg: 4.86 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } ::sumAvg: 2.31 atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } ::sumAvg: 4.78 atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } ::sumAvg: 4.78 atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } atom: 130 18E-H N 8.85 ambi=1 { N:117.9 } ::sumAvg: 4.46 atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } atom: 144 19K-HG2 G 1.54 ambi=2 { CG:25.7 } :: atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } atom: 145 19K-HG3 G 1.69 ambi=2 { CG:25.7 } ::sumAvg: 4.225 atom: 144 19K-HG2 G 1.54 ambi=2 { CG:25.7 } atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } :: atom: 145 19K-HG3 G 1.69 ambi=2 { CG:25.7 } atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } ::sumAvg: 4.225 atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } atom: 146 19K-QD D 1.67 ambi=2 { CD:28.8 } ::sumAvg: 3.365 atom: 146 19K-QD D 1.67 ambi=2 { CD:28.8 } atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } ::sumAvg: 3.365 atom: 115 16V-HA A 3.53 ambi=1 { CA:66.6 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 4.91 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 116 16V-HB B 2.29 ambi=1 { CB:31.9 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 116 16V-HB B 2.29 ambi=1 { CB:31.9 } ::sumAvg: 2.11 atom: 116 16V-HB B 2.29 ambi=1 { CB:31.9 } atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } ::sumAvg: 4.38 atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } atom: 116 16V-HB B 2.29 ambi=1 { CB:31.9 } ::sumAvg: 4.38 atom: 116 16V-HB B 2.29 ambi=1 { CB:31.9 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } ::sumAvg: 4.03 atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } atom: 116 16V-HB B 2.29 ambi=1 { CB:31.9 } ::sumAvg: 4.03 atom: 116 16V-HB B 2.29 ambi=1 { CB:31.9 } atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } :: atom: 116 16V-HB B 2.29 ambi=1 { CB:31.9 } atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } ::sumAvg: 4.015 atom: 116 16V-HB B 2.29 ambi=1 { CB:31.9 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } ::sumAvg: 4.735 atom: 116 16V-HB B 2.29 ambi=1 { CB:31.9 } atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } ::sumAvg: 2.265 atom: 116 16V-HB B 2.29 ambi=1 { CB:31.9 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 2.435 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } ::sumAvg: 1.8 atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } ::sumAvg: 1.8 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } ::sumAvg: 3.29 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } ::sumAvg: 3.205 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } ::sumAvg: 3.91 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 140 19K-H N 8.75 ambi=1 { N:119.2 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 140 19K-H N 8.75 ambi=1 { N:119.2 } ::sumAvg: 4.76 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 142 19K-HB2 B 2 ambi=2 { CB:31.9 } :: atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 143 19K-HB3 B 1.74 ambi=2 { CB:31.9 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 142 19K-HB2 B 2 ambi=2 { CB:31.9 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 143 19K-HB3 B 1.74 ambi=2 { CB:31.9 } ::sumAvg: 4.14 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 146 19K-QD D 1.67 ambi=2 { CD:28.8 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 146 19K-QD D 1.67 ambi=2 { CD:28.8 } ::sumAvg: 4.05 atom: 146 19K-QD D 1.67 ambi=2 { CD:28.8 } atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } :: atom: 146 19K-QD D 1.67 ambi=2 { CD:28.8 } atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } ::sumAvg: 4.05 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 156 20G-H N 8.64 ambi=1 { N:110.3 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 156 20G-H N 8.64 ambi=1 { N:110.3 } ::sumAvg: 3.89 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } :: atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } ::sumAvg: 4.045 atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } :: atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } :: atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } :: atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } ::sumAvg: 4.045 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } ::sumAvg: 3.9 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } ::sumAvg: 4.955 atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } :: atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } ::sumAvg: 4.955 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } :: atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } ::sumAvg: 3.945 atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } :: atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } ::sumAvg: 3.945 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } :: atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } ::sumAvg: 2.98 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } ::sumAvg: 4.23 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } ::sumAvg: 2.33 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 2.765 atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } ::sumAvg: 4.22 atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } :: atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } ::sumAvg: 4.22 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } ::sumAvg: 4.875 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 769 86V-HB B 1.87 ambi=1 { CB:31.5 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 769 86V-HB B 1.87 ambi=1 { CB:31.5 } ::sumAvg: 4.49 atom: 117 16V-HG1 G1 0.78 ambi=2 { CG1:22.9 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 118 16V-HG2 G2 1.24 ambi=2 { CG2:21.8 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 2.685 atom: 132 18E-HB2 B 2.23 ambi=2 { CB:29.7 } atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } :: atom: 133 18E-HB3 B 1.96 ambi=2 { CB:29.7 } atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } ::sumAvg: 4.775 atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } :: atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } ::sumAvg: 4.405 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 124 17A-H N 8.6 ambi=1 { N:123.1 } ::sumAvg: 4.265 atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } atom: 140 19K-H N 8.75 ambi=1 { N:119.2 } ::sumAvg: 4.625 atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } ::sumAvg: 3.695 atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } ::sumAvg: 3.695 atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } ::sumAvg: 4.88 atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } ::sumAvg: 4.88 atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } ::sumAvg: 4.27 atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 3.61 atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } :: atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } atom: 757 85L-HB3 B 1.79 ambi=2 { CB:41.8 } ::sumAvg: 4.815 atom: 758 85L-HG G 1.47 ambi=1 { CG:26.8 } atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } ::sumAvg: 4.745 atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 4.175 atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } :: atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } ::sumAvg: 4.485 atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } :: atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } ::sumAvg: 4.655 atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } :: atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } atom: 125 17A-HA A 4.08 ambi=1 { CA:54.7 } ::sumAvg: 4.655 atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } atom: 131 18E-HA A 3.99 ambi=1 { CA:59.5 } ::sumAvg: 3.84 atom: 132 18E-HB2 B 2.23 ambi=2 { CB:29.7 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } :: atom: 133 18E-HB3 B 1.96 ambi=2 { CB:29.7 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } ::sumAvg: 4.19 atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } atom: 140 19K-H N 8.75 ambi=1 { N:119.2 } ::sumAvg: 4.61 atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } ::sumAvg: 4.435 atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } :: atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } ::sumAvg: 4.73 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } ::sumAvg: 4.73 atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } ::sumAvg: 4.875 atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } ::sumAvg: 4.915 atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } ::sumAvg: 4.915 atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } atom: 951 103T-HA A 3.48 ambi=1 { CA:67.3 } ::sumAvg: 3.81 atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } ::sumAvg: 3.61 atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } atom: 987 107L-HA A 3.9 ambi=1 { CA:58.3 } ::sumAvg: 3.57 atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } ::sumAvg: 3.575 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 126 17A-HB B 1.45 ambi=1 { CB:17.7 } ::sumAvg: 2.855 atom: 142 19K-HB2 B 2 ambi=2 { CB:31.9 } atom: 130 18E-H N 8.85 ambi=1 { N:117.9 } :: atom: 143 19K-HB3 B 1.74 ambi=2 { CB:31.9 } atom: 130 18E-H N 8.85 ambi=1 { N:117.9 } ::sumAvg: 4.76 atom: 144 19K-HG2 G 1.54 ambi=2 { CG:25.7 } atom: 130 18E-H N 8.85 ambi=1 { N:117.9 } :: atom: 145 19K-HG3 G 1.69 ambi=2 { CG:25.7 } atom: 130 18E-H N 8.85 ambi=1 { N:117.9 } ::sumAvg: 4.74 atom: 131 18E-HA A 3.99 ambi=1 { CA:59.5 } atom: 140 19K-H N 8.75 ambi=1 { N:119.2 } ::sumAvg: 3.555 atom: 131 18E-HA A 3.99 ambi=1 { CA:59.5 } atom: 156 20G-H N 8.64 ambi=1 { N:110.3 } ::sumAvg: 4.345 atom: 131 18E-HA A 3.99 ambi=1 { CA:59.5 } atom: 167 22D-H N 7.66 ambi=1 { N:119 } ::sumAvg: 4.715 atom: 132 18E-HB2 B 2.23 ambi=2 { CB:29.7 } atom: 143 19K-HB3 B 1.74 ambi=2 { CB:31.9 } ::sumAvg: 4.645 atom: 143 19K-HB3 B 1.74 ambi=2 { CB:31.9 } atom: 132 18E-HB2 B 2.23 ambi=2 { CB:29.7 } ::sumAvg: 4.645 atom: 132 18E-HB2 B 2.23 ambi=2 { CB:29.7 } atom: 144 19K-HG2 G 1.54 ambi=2 { CG:25.7 } :: atom: 132 18E-HB2 B 2.23 ambi=2 { CB:29.7 } atom: 145 19K-HG3 G 1.69 ambi=2 { CG:25.7 } :: atom: 133 18E-HB3 B 1.96 ambi=2 { CB:29.7 } atom: 144 19K-HG2 G 1.54 ambi=2 { CG:25.7 } ::sumAvg: 3.41 atom: 132 18E-HB2 B 2.23 ambi=2 { CB:29.7 } atom: 148 19K-QE E 2.96 ambi=2 { CE:42.1 } :: atom: 133 18E-HB3 B 1.96 ambi=2 { CB:29.7 } atom: 148 19K-QE E 2.96 ambi=2 { CE:42.1 } ::sumAvg: 4.88 atom: 132 18E-HB2 B 2.23 ambi=2 { CB:29.7 } atom: 156 20G-H N 8.64 ambi=1 { N:110.3 } :: atom: 133 18E-HB3 B 1.96 ambi=2 { CB:29.7 } atom: 156 20G-H N 8.64 ambi=1 { N:110.3 } ::sumAvg: 4.835 atom: 132 18E-HB2 B 2.23 ambi=2 { CB:29.7 } atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } ::sumAvg: 4.875 atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } atom: 132 18E-HB2 B 2.23 ambi=2 { CB:29.7 } ::sumAvg: 4.875 atom: 134 18E-HG2 G 2.14 ambi=2 { CG:37.3 } atom: 144 19K-HG2 G 1.54 ambi=2 { CG:25.7 } :: atom: 134 18E-HG2 G 2.14 ambi=2 { CG:37.3 } atom: 145 19K-HG3 G 1.69 ambi=2 { CG:25.7 } :: atom: 135 18E-HG3 G 2.68 ambi=2 { CG:37.3 } atom: 144 19K-HG2 G 1.54 ambi=2 { CG:25.7 } :: atom: 135 18E-HG3 G 2.68 ambi=2 { CG:37.3 } atom: 145 19K-HG3 G 1.69 ambi=2 { CG:25.7 } ::sumAvg: 4.845 atom: 144 19K-HG2 G 1.54 ambi=2 { CG:25.7 } atom: 134 18E-HG2 G 2.14 ambi=2 { CG:37.3 } :: atom: 145 19K-HG3 G 1.69 ambi=2 { CG:25.7 } atom: 134 18E-HG2 G 2.14 ambi=2 { CG:37.3 } :: atom: 144 19K-HG2 G 1.54 ambi=2 { CG:25.7 } atom: 135 18E-HG3 G 2.68 ambi=2 { CG:37.3 } :: atom: 145 19K-HG3 G 1.69 ambi=2 { CG:25.7 } atom: 135 18E-HG3 G 2.68 ambi=2 { CG:37.3 } ::sumAvg: 4.845 atom: 134 18E-HG2 G 2.14 ambi=2 { CG:37.3 } atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } :: atom: 135 18E-HG3 G 2.68 ambi=2 { CG:37.3 } atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } ::sumAvg: 4.4 atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } atom: 140 19K-H N 8.75 ambi=1 { N:119.2 } :: atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } atom: 140 19K-H N 8.75 ambi=1 { N:119.2 } ::sumAvg: 4.825 atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } atom: 140 19K-H N 8.75 ambi=1 { N:119.2 } ::sumAvg: 4.905 atom: 141 19K-HA A 4.15 ambi=1 { CA:58.7 } atom: 148 19K-QE E 2.96 ambi=2 { CE:42.1 } ::sumAvg: 4.55 atom: 141 19K-HA A 4.15 ambi=1 { CA:58.7 } atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } ::sumAvg: 4.775 atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } atom: 141 19K-HA A 4.15 ambi=1 { CA:58.7 } ::sumAvg: 4.775 atom: 141 19K-HA A 4.15 ambi=1 { CA:58.7 } atom: 161 21A-H N 8.55 ambi=1 { N:125.3 } ::sumAvg: 4.185 atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } atom: 141 19K-HA A 4.15 ambi=1 { CA:58.7 } ::sumAvg: 4.6 atom: 142 19K-HB2 B 2 ambi=2 { CB:31.9 } atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } :: atom: 143 19K-HB3 B 1.74 ambi=2 { CB:31.9 } atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } ::sumAvg: 3.965 atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } atom: 142 19K-HB2 B 2 ambi=2 { CB:31.9 } :: atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } atom: 143 19K-HB3 B 1.74 ambi=2 { CB:31.9 } ::sumAvg: 3.965 atom: 144 19K-HG2 G 1.54 ambi=2 { CG:25.7 } atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } :: atom: 145 19K-HG3 G 1.69 ambi=2 { CG:25.7 } atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } ::sumAvg: 4.1 atom: 146 19K-QD D 1.67 ambi=2 { CD:28.8 } atom: 156 20G-H N 8.64 ambi=1 { N:110.3 } ::sumAvg: 4.92 atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } atom: 156 20G-H N 8.64 ambi=1 { N:110.3 } ::sumAvg: 4.3 atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } atom: 156 20G-H N 8.64 ambi=1 { N:110.3 } ::sumAvg: 4.935 atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } atom: 162 21A-HA A 4.49 ambi=1 { CA:55.1 } :: atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } atom: 162 21A-HA A 4.49 ambi=1 { CA:55.1 } ::sumAvg: 4.395 atom: 162 21A-HA A 4.49 ambi=1 { CA:55.1 } atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } :: atom: 162 21A-HA A 4.49 ambi=1 { CA:55.1 } atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } ::sumAvg: 4.395 atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } :: atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } ::sumAvg: 4.44 atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } :: atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } ::sumAvg: 4.935 atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } :: atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } ::sumAvg: 4.935 atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } atom: 174 23R-H N 8.11 ambi=1 { N:121.8 } :: atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } atom: 174 23R-H N 8.11 ambi=1 { N:121.8 } ::sumAvg: 3.305 atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } atom: 178 23R-QG G 1.53 ambi=2 { CG:27 } :: atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } atom: 178 23R-QG G 1.53 ambi=2 { CG:27 } ::sumAvg: 3.62 atom: 178 23R-QG G 1.53 ambi=2 { CG:27 } atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } :: atom: 178 23R-QG G 1.53 ambi=2 { CG:27 } atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } ::sumAvg: 3.62 atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } atom: 180 23R-QD D 3.16 ambi=2 { CD:43.1 } ::sumAvg: 3.82 atom: 180 23R-QD D 3.16 ambi=2 { CD:43.1 } atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } ::sumAvg: 3.82 atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } atom: 187 24Y-H N 8.46 ambi=1 { N:120.4 } :: atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } atom: 187 24Y-H N 8.46 ambi=1 { N:120.4 } ::sumAvg: 4.025 atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } ::sumAvg: 4.39 atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } ::sumAvg: 4.39 atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } :: atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } ::sumAvg: 4.425 atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } :: atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } ::sumAvg: 4.425 atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } :: atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 4.205 atom: 157 20G-HA2 A 3.79 ambi=2 { CA:46.4 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } :: atom: 158 20G-HA3 A 3.5 ambi=2 { CA:46.4 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } ::sumAvg: 4.95 atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } atom: 161 21A-H N 8.55 ambi=1 { N:125.3 } ::sumAvg: 4.65 atom: 162 21A-HA A 4.49 ambi=1 { CA:55.1 } atom: 174 23R-H N 8.11 ambi=1 { N:121.8 } ::sumAvg: 4.35 atom: 189 24Y-HB2 B 2.11 ambi=2 { CB:39.4 } atom: 162 21A-HA A 4.49 ambi=1 { CA:55.1 } :: atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } atom: 162 21A-HA A 4.49 ambi=1 { CA:55.1 } ::sumAvg: 2.725 atom: 162 21A-HA A 4.49 ambi=1 { CA:55.1 } atom: 191 24Y-QD D 6.42 ambi=3 { CD1:132.7 } ::sumAvg: 4.28 atom: 162 21A-HA A 4.49 ambi=1 { CA:55.1 } atom: 200 25Q-H N 7.54 ambi=1 { N:117.5 } ::sumAvg: 4.365 atom: 162 21A-HA A 4.49 ambi=1 { CA:55.1 } atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } ::sumAvg: 4.94 atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } atom: 162 21A-HA A 4.49 ambi=1 { CA:55.1 } ::sumAvg: 4.94 atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } atom: 162 21A-HA A 4.49 ambi=1 { CA:55.1 } :: atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } atom: 162 21A-HA A 4.49 ambi=1 { CA:55.1 } ::sumAvg: 4.44 atom: 162 21A-HA A 4.49 ambi=1 { CA:55.1 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } ::sumAvg: 4.165 atom: 162 21A-HA A 4.49 ambi=1 { CA:55.1 } atom: 953 103T-HG1 G1 3.26 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.94 atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } atom: 174 23R-H N 8.11 ambi=1 { N:121.8 } ::sumAvg: 4.535 atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } atom: 187 24Y-H N 8.46 ambi=1 { N:120.4 } ::sumAvg: 4.54 atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } atom: 189 24Y-HB2 B 2.11 ambi=2 { CB:39.4 } :: atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } ::sumAvg: 3.99 atom: 189 24Y-HB2 B 2.11 ambi=2 { CB:39.4 } atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } :: atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } ::sumAvg: 3.99 atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } atom: 191 24Y-QD D 6.42 ambi=3 { CD1:132.7 } ::sumAvg: 4.67 atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } atom: 200 25Q-H N 7.54 ambi=1 { N:117.5 } ::sumAvg: 4.79 atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } atom: 204 25Q-QG G 2.46 ambi=2 { CG:33.5 } ::sumAvg: 4.595 atom: 204 25Q-QG G 2.46 ambi=2 { CG:33.5 } atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } ::sumAvg: 4.595 atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } :: atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } ::sumAvg: 3.945 atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } ::sumAvg: 4.33 atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } atom: 951 103T-HA A 3.48 ambi=1 { CA:67.3 } ::sumAvg: 4.84 atom: 951 103T-HA A 3.48 ambi=1 { CA:67.3 } atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } ::sumAvg: 4.84 atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } atom: 952 103T-HB B 4.09 ambi=1 { CB:67.7 } ::sumAvg: 4.69 atom: 952 103T-HB B 4.09 ambi=1 { CB:67.7 } atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } ::sumAvg: 4.69 atom: 163 21A-HB B 1.68 ambi=1 { CB:17.3 } atom: 953 103T-HG1 G1 3.26 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.51 atom: 176 23R-HB2 B 1.69 ambi=2 { CB:30.7 } atom: 167 22D-H N 7.66 ambi=1 { N:119 } :: atom: 177 23R-HB3 B 1.82 ambi=2 { CB:30.7 } atom: 167 22D-H N 7.66 ambi=1 { N:119 } ::sumAvg: 4.735 atom: 189 24Y-HB2 B 2.11 ambi=2 { CB:39.4 } atom: 167 22D-H N 7.66 ambi=1 { N:119 } :: atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } atom: 167 22D-H N 7.66 ambi=1 { N:119 } ::sumAvg: 4.98 atom: 168 22D-HA A 4.46 ambi=1 { CA:56.9 } atom: 175 23R-HA A 4 ambi=1 { CA:59.2 } ::sumAvg: 4.785 atom: 175 23R-HA A 4 ambi=1 { CA:59.2 } atom: 168 22D-HA A 4.46 ambi=1 { CA:56.9 } ::sumAvg: 4.785 atom: 168 22D-HA A 4.46 ambi=1 { CA:56.9 } atom: 187 24Y-H N 8.46 ambi=1 { N:120.4 } ::sumAvg: 4.33 atom: 189 24Y-HB2 B 2.11 ambi=2 { CB:39.4 } atom: 168 22D-HA A 4.46 ambi=1 { CA:56.9 } :: atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } atom: 168 22D-HA A 4.46 ambi=1 { CA:56.9 } ::sumAvg: 4.965 atom: 168 22D-HA A 4.46 ambi=1 { CA:56.9 } atom: 204 25Q-QG G 2.46 ambi=2 { CG:33.5 } ::sumAvg: 3.605 atom: 204 25Q-QG G 2.46 ambi=2 { CG:33.5 } atom: 168 22D-HA A 4.46 ambi=1 { CA:56.9 } ::sumAvg: 3.605 atom: 168 22D-HA A 4.46 ambi=1 { CA:56.9 } atom: 210 26E-H N 7.98 ambi=1 { N:117.9 } ::sumAvg: 4.33 atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } atom: 175 23R-HA A 4 ambi=1 { CA:59.2 } ::sumAvg: 3.865 atom: 176 23R-HB2 B 1.69 ambi=2 { CB:30.7 } atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } :: atom: 177 23R-HB3 B 1.82 ambi=2 { CB:30.7 } atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } ::sumAvg: 4.48 atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } atom: 178 23R-QG G 1.53 ambi=2 { CG:27 } ::sumAvg: 4.36 atom: 178 23R-QG G 1.53 ambi=2 { CG:27 } atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } ::sumAvg: 4.36 atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } atom: 180 23R-QD D 3.16 ambi=2 { CD:43.1 } ::sumAvg: 4.81 atom: 180 23R-QD D 3.16 ambi=2 { CD:43.1 } atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } ::sumAvg: 4.81 atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } atom: 187 24Y-H N 8.46 ambi=1 { N:120.4 } ::sumAvg: 4.615 atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } atom: 200 25Q-H N 7.54 ambi=1 { N:117.5 } ::sumAvg: 4.74 atom: 202 25Q-HB2 B 2.16 ambi=2 { CB:28.4 } atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } :: atom: 203 25Q-HB3 B 2.19 ambi=2 { CB:28.4 } atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } ::sumAvg: 4.37 atom: 169 22D-QB B 2.72 ambi=2 { CB:40.5 } atom: 210 26E-H N 7.98 ambi=1 { N:117.9 } ::sumAvg: 4.895 atom: 178 23R-QG G 1.53 ambi=2 { CG:27 } atom: 174 23R-H N 8.11 ambi=1 { N:121.8 } ::sumAvg: 3.16 atom: 189 24Y-HB2 B 2.11 ambi=2 { CB:39.4 } atom: 174 23R-H N 8.11 ambi=1 { N:121.8 } :: atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } atom: 174 23R-H N 8.11 ambi=1 { N:121.8 } ::sumAvg: 4.635 atom: 175 23R-HA A 4 ambi=1 { CA:59.2 } atom: 180 23R-QD D 3.16 ambi=2 { CD:43.1 } ::sumAvg: 3.005 atom: 180 23R-QD D 3.16 ambi=2 { CD:43.1 } atom: 175 23R-HA A 4 ambi=1 { CA:59.2 } ::sumAvg: 3.005 atom: 176 23R-HB2 B 1.69 ambi=2 { CB:30.7 } atom: 180 23R-QD D 3.16 ambi=2 { CD:43.1 } :: atom: 177 23R-HB3 B 1.82 ambi=2 { CB:30.7 } atom: 180 23R-QD D 3.16 ambi=2 { CD:43.1 } ::sumAvg: 2.725 atom: 176 23R-HB2 B 1.69 ambi=2 { CB:30.7 } atom: 187 24Y-H N 8.46 ambi=1 { N:120.4 } :: atom: 177 23R-HB3 B 1.82 ambi=2 { CB:30.7 } atom: 187 24Y-H N 8.46 ambi=1 { N:120.4 } ::sumAvg: 2.82 atom: 176 23R-HB2 B 1.69 ambi=2 { CB:30.7 } atom: 189 24Y-HB2 B 2.11 ambi=2 { CB:39.4 } :: atom: 176 23R-HB2 B 1.69 ambi=2 { CB:30.7 } atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } :: atom: 177 23R-HB3 B 1.82 ambi=2 { CB:30.7 } atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } ::sumAvg: 4.67 atom: 189 24Y-HB2 B 2.11 ambi=2 { CB:39.4 } atom: 176 23R-HB2 B 1.69 ambi=2 { CB:30.7 } :: atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } atom: 176 23R-HB2 B 1.69 ambi=2 { CB:30.7 } :: atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } atom: 177 23R-HB3 B 1.82 ambi=2 { CB:30.7 } ::sumAvg: 4.67 atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } atom: 176 23R-HB2 B 1.69 ambi=2 { CB:30.7 } :: atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } atom: 177 23R-HB3 B 1.82 ambi=2 { CB:30.7 } ::sumAvg: 4.37 atom: 176 23R-HB2 B 1.69 ambi=2 { CB:30.7 } atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } :: atom: 177 23R-HB3 B 1.82 ambi=2 { CB:30.7 } atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } ::sumAvg: 4.84 atom: 178 23R-QG G 1.53 ambi=2 { CG:27 } atom: 187 24Y-H N 8.46 ambi=1 { N:120.4 } ::sumAvg: 3.9 atom: 178 23R-QG G 1.53 ambi=2 { CG:27 } atom: 188 24Y-HA A 3.78 ambi=1 { CA:60.9 } ::sumAvg: 4.735 atom: 180 23R-QD D 3.16 ambi=2 { CD:43.1 } atom: 212 26E-QB B 2.03 ambi=2 { CB:29.7 } ::sumAvg: 4.335 atom: 212 26E-QB B 2.03 ambi=2 { CB:29.7 } atom: 180 23R-QD D 3.16 ambi=2 { CD:43.1 } ::sumAvg: 4.335 atom: 180 23R-QD D 3.16 ambi=2 { CD:43.1 } atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } ::sumAvg: 4.825 atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } atom: 180 23R-QD D 3.16 ambi=2 { CD:43.1 } ::sumAvg: 4.825 atom: 180 23R-QD D 3.16 ambi=2 { CD:43.1 } atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } ::sumAvg: 4.555 atom: 202 25Q-HB2 B 2.16 ambi=2 { CB:28.4 } atom: 187 24Y-H N 8.46 ambi=1 { N:120.4 } :: atom: 203 25Q-HB3 B 2.19 ambi=2 { CB:28.4 } atom: 187 24Y-H N 8.46 ambi=1 { N:120.4 } ::sumAvg: 4.765 atom: 189 24Y-HB2 B 2.11 ambi=2 { CB:39.4 } atom: 188 24Y-HA A 3.78 ambi=1 { CA:60.9 } :: atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } atom: 188 24Y-HA A 3.78 ambi=1 { CA:60.9 } ::sumAvg: 2.415 atom: 188 24Y-HA A 3.78 ambi=1 { CA:60.9 } atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } ::sumAvg: 4.68 atom: 188 24Y-HA A 3.78 ambi=1 { CA:60.9 } atom: 200 25Q-H N 7.54 ambi=1 { N:117.5 } ::sumAvg: 3.55 atom: 188 24Y-HA A 3.78 ambi=1 { CA:60.9 } atom: 210 26E-H N 7.98 ambi=1 { N:117.9 } ::sumAvg: 4.115 atom: 212 26E-QB B 2.03 ambi=2 { CB:29.7 } atom: 188 24Y-HA A 3.78 ambi=1 { CA:60.9 } ::sumAvg: 4.97 atom: 189 24Y-HB2 B 2.11 ambi=2 { CB:39.4 } atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } :: atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } ::sumAvg: 4.42 atom: 189 24Y-HB2 B 2.11 ambi=2 { CB:39.4 } atom: 200 25Q-H N 7.54 ambi=1 { N:117.5 } :: atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } atom: 200 25Q-H N 7.54 ambi=1 { N:117.5 } ::sumAvg: 2.61 atom: 189 24Y-HB2 B 2.11 ambi=2 { CB:39.4 } atom: 201 25Q-HA A 3.75 ambi=1 { CA:57.8 } :: atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } atom: 201 25Q-HA A 3.75 ambi=1 { CA:57.8 } ::sumAvg: 4.295 atom: 804 89S-HA A 4.08 ambi=1 { CA:61.9 } atom: 189 24Y-HB2 B 2.11 ambi=2 { CB:39.4 } :: atom: 804 89S-HA A 4.08 ambi=1 { CA:61.9 } atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } ::sumAvg: 3.96 atom: 189 24Y-HB2 B 2.11 ambi=2 { CB:39.4 } atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } :: atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } ::sumAvg: 3.975 atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } atom: 189 24Y-HB2 B 2.11 ambi=2 { CB:39.4 } :: atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } ::sumAvg: 3.975 atom: 189 24Y-HB2 B 2.11 ambi=2 { CB:39.4 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } :: atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } ::sumAvg: 3.26 atom: 189 24Y-HB2 B 2.11 ambi=2 { CB:39.4 } atom: 907 99F-HZ Z 6.67 ambi=1 { CZ:128.2 } :: atom: 190 24Y-HB3 B 2.39 ambi=2 { CB:39.4 } atom: 907 99F-HZ Z 6.67 ambi=1 { CZ:128.2 } ::sumAvg: 3.085 atom: 202 25Q-HB2 B 2.16 ambi=2 { CB:28.4 } atom: 191 24Y-QD D 6.42 ambi=3 { CD1:132.7 } :: atom: 203 25Q-HB3 B 2.19 ambi=2 { CB:28.4 } atom: 191 24Y-QD D 6.42 ambi=3 { CD1:132.7 } ::sumAvg: 4.61 atom: 204 25Q-QG G 2.46 ambi=2 { CG:33.5 } atom: 191 24Y-QD D 6.42 ambi=3 { CD1:132.7 } ::sumAvg: 3.57 atom: 804 89S-HA A 4.08 ambi=1 { CA:61.9 } atom: 191 24Y-QD D 6.42 ambi=3 { CD1:132.7 } ::sumAvg: 3.83 atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } atom: 191 24Y-QD D 6.42 ambi=3 { CD1:132.7 } ::sumAvg: 4.48 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 191 24Y-QD D 6.42 ambi=3 { CD1:132.7 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 191 24Y-QD D 6.42 ambi=3 { CD1:132.7 } ::sumAvg: 4.815 atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } atom: 191 24Y-QD D 6.42 ambi=3 { CD1:132.7 } ::sumAvg: 4.225 atom: 201 25Q-HA A 3.75 ambi=1 { CA:57.8 } atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } ::sumAvg: 4.4 atom: 204 25Q-QG G 2.46 ambi=2 { CG:33.5 } atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } ::sumAvg: 4.65 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } ::sumAvg: 4.895 atom: 835 92H-HB2 B 2.91 ambi=2 { CB:29.2 } atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } :: atom: 836 92H-HB3 B 3.26 ambi=2 { CB:29.2 } atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } ::sumAvg: 4.795 atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } ::sumAvg: 4.695 atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } :: atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } ::sumAvg: 4.555 atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } ::sumAvg: 3.915 atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } ::sumAvg: 4.35 atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } :: atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } atom: 193 24Y-QE E 6.24 ambi=3 { CE1:115.5 } ::sumAvg: 4.015 atom: 212 26E-QB B 2.03 ambi=2 { CB:29.7 } atom: 200 25Q-H N 7.54 ambi=1 { N:117.5 } ::sumAvg: 4.51 atom: 201 25Q-HA A 3.75 ambi=1 { CA:57.8 } atom: 210 26E-H N 7.98 ambi=1 { N:117.9 } ::sumAvg: 3.425 atom: 202 25Q-HB2 B 2.16 ambi=2 { CB:28.4 } atom: 211 26E-HA A 4.01 ambi=1 { CA:57.9 } :: atom: 203 25Q-HB3 B 2.19 ambi=2 { CB:28.4 } atom: 211 26E-HA A 4.01 ambi=1 { CA:57.9 } ::sumAvg: 4.45 atom: 204 25Q-QG G 2.46 ambi=2 { CG:33.5 } atom: 210 26E-H N 7.98 ambi=1 { N:117.9 } ::sumAvg: 4.075 atom: 211 26E-HA A 4.01 ambi=1 { CA:57.9 } atom: 204 25Q-QG G 2.46 ambi=2 { CG:33.5 } ::sumAvg: 4.875 atom: 204 25Q-QG G 2.46 ambi=2 { CG:33.5 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } ::sumAvg: 4.535 atom: 225 33S-QB B 3.73 ambi=2 { CB:64 } atom: 230 34Y-QB B 2.76 ambi=2 { CB:40.7 } ::sumAvg: 4.53 atom: 230 34Y-QB B 2.76 ambi=2 { CB:40.7 } atom: 225 33S-QB B 3.73 ambi=2 { CB:64 } ::sumAvg: 4.53 atom: 225 33S-QB B 3.73 ambi=2 { CB:64 } atom: 232 34Y-QD D 7.43 ambi=3 { CD1:133.5 } ::sumAvg: 4.42 atom: 229 34Y-HA A 4.63 ambi=1 { CA:56.9 } atom: 234 34Y-QE E 6.99 ambi=3 { CE1:117.5 } ::sumAvg: 4.925 atom: 230 34Y-QB B 2.76 ambi=2 { CB:40.7 } atom: 234 34Y-QE E 6.99 ambi=3 { CE1:117.5 } ::sumAvg: 3.975 atom: 230 34Y-QB B 2.76 ambi=2 { CB:40.7 } atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } ::sumAvg: 4.885 atom: 240 36F-HA A 3.91 ambi=1 { CA:62 } atom: 245 36F-QE E 7.04 ambi=3 { CE1:130.5 } ::sumAvg: 4.995 atom: 240 36F-HA A 3.91 ambi=1 { CA:62 } atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } ::sumAvg: 2.92 atom: 255 37F-QB B 3.13 ambi=2 { CB:38.6 } atom: 240 36F-HA A 3.91 ambi=1 { CA:62 } ::sumAvg: 4.9 atom: 240 36F-HA A 3.91 ambi=1 { CA:62 } atom: 268 38E-H N 9 ambi=1 { N:116 } ::sumAvg: 4.97 atom: 240 36F-HA A 3.91 ambi=1 { CA:62 } atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } ::sumAvg: 4.535 atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } atom: 240 36F-HA A 3.91 ambi=1 { CA:62 } ::sumAvg: 3.85 atom: 240 36F-HA A 3.91 ambi=1 { CA:62 } atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } :: atom: 240 36F-HA A 3.91 ambi=1 { CA:62 } atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } ::sumAvg: 4.635 atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 240 36F-HA A 3.91 ambi=1 { CA:62 } :: atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } atom: 240 36F-HA A 3.91 ambi=1 { CA:62 } ::sumAvg: 4.635 atom: 240 36F-HA A 3.91 ambi=1 { CA:62 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } ::sumAvg: 4.31 atom: 240 36F-HA A 3.91 ambi=1 { CA:62 } atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } :: atom: 240 36F-HA A 3.91 ambi=1 { CA:62 } atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } ::sumAvg: 3.835 atom: 241 36F-HB2 B 2.63 ambi=2 { CB:39.2 } atom: 245 36F-QE E 7.04 ambi=3 { CE1:130.5 } :: atom: 242 36F-HB3 B 3.15 ambi=2 { CB:39.2 } atom: 245 36F-QE E 7.04 ambi=3 { CE1:130.5 } ::sumAvg: 4.37 atom: 241 36F-HB2 B 2.63 ambi=2 { CB:39.2 } atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } :: atom: 242 36F-HB3 B 3.15 ambi=2 { CB:39.2 } atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } ::sumAvg: 3.15 atom: 241 36F-HB2 B 2.63 ambi=2 { CB:39.2 } atom: 254 37F-HA A 3.98 ambi=1 { CA:61.6 } :: atom: 242 36F-HB3 B 3.15 ambi=2 { CB:39.2 } atom: 254 37F-HA A 3.98 ambi=1 { CA:61.6 } ::sumAvg: 4.475 atom: 255 37F-QB B 3.13 ambi=2 { CB:38.6 } atom: 241 36F-HB2 B 2.63 ambi=2 { CB:39.2 } ::sumAvg: 4.325 atom: 241 36F-HB2 B 2.63 ambi=2 { CB:39.2 } atom: 257 37F-QD D 7.45 ambi=3 { CD1:131.2 } :: atom: 242 36F-HB3 B 3.15 ambi=2 { CB:39.2 } atom: 257 37F-QD D 7.45 ambi=3 { CD1:131.2 } ::sumAvg: 4.06 atom: 241 36F-HB2 B 2.63 ambi=2 { CB:39.2 } atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } :: atom: 242 36F-HB3 B 3.15 ambi=2 { CB:39.2 } atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } ::sumAvg: 4.805 atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } atom: 241 36F-HB2 B 2.63 ambi=2 { CB:39.2 } :: atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } atom: 242 36F-HB3 B 3.15 ambi=2 { CB:39.2 } ::sumAvg: 4.805 atom: 241 36F-HB2 B 2.63 ambi=2 { CB:39.2 } atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } :: atom: 241 36F-HB2 B 2.63 ambi=2 { CB:39.2 } atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } :: atom: 242 36F-HB3 B 3.15 ambi=2 { CB:39.2 } atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } :: atom: 242 36F-HB3 B 3.15 ambi=2 { CB:39.2 } atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } ::sumAvg: 4.76 atom: 241 36F-HB2 B 2.63 ambi=2 { CB:39.2 } atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } :: atom: 241 36F-HB2 B 2.63 ambi=2 { CB:39.2 } atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } :: atom: 242 36F-HB3 B 3.15 ambi=2 { CB:39.2 } atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } :: atom: 242 36F-HB3 B 3.15 ambi=2 { CB:39.2 } atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } ::sumAvg: 4.18 atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } atom: 241 36F-HB2 B 2.63 ambi=2 { CB:39.2 } :: atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } atom: 241 36F-HB2 B 2.63 ambi=2 { CB:39.2 } :: atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } atom: 242 36F-HB3 B 3.15 ambi=2 { CB:39.2 } :: atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } atom: 242 36F-HB3 B 3.15 ambi=2 { CB:39.2 } ::sumAvg: 4.18 atom: 254 37F-HA A 3.98 ambi=1 { CA:61.6 } atom: 243 36F-QD D 6.4 ambi=3 { CD1:130.8 } ::sumAvg: 4.565 atom: 255 37F-QB B 3.13 ambi=2 { CB:38.6 } atom: 243 36F-QD D 6.4 ambi=3 { CD1:130.8 } ::sumAvg: 4.16 atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } atom: 243 36F-QD D 6.4 ambi=3 { CD1:130.8 } ::sumAvg: 4.76 atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } atom: 243 36F-QD D 6.4 ambi=3 { CD1:130.8 } :: atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } atom: 243 36F-QD D 6.4 ambi=3 { CD1:130.8 } ::sumAvg: 4 atom: 270 38E-HB2 B 1.96 ambi=2 { CB:30.6 } atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } :: atom: 271 38E-HB3 B 2.06 ambi=2 { CB:30.6 } atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } ::sumAvg: 4.98 atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } ::sumAvg: 3.675 atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } ::sumAvg: 4.85 atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } atom: 253 37F-H N 8.09 ambi=1 { N:116.2 } ::sumAvg: 4.2 atom: 254 37F-HA A 3.98 ambi=1 { CA:61.6 } atom: 268 38E-H N 9 ambi=1 { N:116 } ::sumAvg: 2.91 atom: 254 37F-HA A 3.98 ambi=1 { CA:61.6 } atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } ::sumAvg: 4.655 atom: 254 37F-HA A 3.98 ambi=1 { CA:61.6 } atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } ::sumAvg: 4.19 atom: 254 37F-HA A 3.98 ambi=1 { CA:61.6 } atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } ::sumAvg: 4.205 atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } atom: 254 37F-HA A 3.98 ambi=1 { CA:61.6 } ::sumAvg: 4.205 atom: 254 37F-HA A 3.98 ambi=1 { CA:61.6 } atom: 299 41K-H N 8.4 ambi=1 { N:118.8 } ::sumAvg: 4.85 atom: 254 37F-HA A 3.98 ambi=1 { CA:61.6 } atom: 311 42P-HD2 D 2.95 ambi=2 { CD:49.4 } :: atom: 254 37F-HA A 3.98 ambi=1 { CA:61.6 } atom: 312 42P-HD3 D 3.32 ambi=2 { CD:49.4 } ::sumAvg: 4.53 atom: 311 42P-HD2 D 2.95 ambi=2 { CD:49.4 } atom: 254 37F-HA A 3.98 ambi=1 { CA:61.6 } :: atom: 312 42P-HD3 D 3.32 ambi=2 { CD:49.4 } atom: 254 37F-HA A 3.98 ambi=1 { CA:61.6 } ::sumAvg: 4.53 atom: 255 37F-QB B 3.13 ambi=2 { CB:38.6 } atom: 268 38E-H N 9 ambi=1 { N:116 } ::sumAvg: 2.84 atom: 255 37F-QB B 3.13 ambi=2 { CB:38.6 } atom: 269 38E-HA A 4.13 ambi=1 { CA:57.7 } ::sumAvg: 4.09 atom: 269 38E-HA A 4.13 ambi=1 { CA:57.7 } atom: 255 37F-QB B 3.13 ambi=2 { CB:38.6 } ::sumAvg: 4.09 atom: 255 37F-QB B 3.13 ambi=2 { CB:38.6 } atom: 270 38E-HB2 B 1.96 ambi=2 { CB:30.6 } :: atom: 255 37F-QB B 3.13 ambi=2 { CB:38.6 } atom: 271 38E-HB3 B 2.06 ambi=2 { CB:30.6 } ::sumAvg: 4.665 atom: 270 38E-HB2 B 1.96 ambi=2 { CB:30.6 } atom: 255 37F-QB B 3.13 ambi=2 { CB:38.6 } :: atom: 271 38E-HB3 B 2.06 ambi=2 { CB:30.6 } atom: 255 37F-QB B 3.13 ambi=2 { CB:38.6 } ::sumAvg: 4.665 atom: 255 37F-QB B 3.13 ambi=2 { CB:38.6 } atom: 272 38E-HG2 G 2.26 ambi=2 { CG:36.3 } :: atom: 255 37F-QB B 3.13 ambi=2 { CB:38.6 } atom: 273 38E-HG3 G 2.36 ambi=2 { CG:36.3 } ::sumAvg: 4.675 atom: 272 38E-HG2 G 2.26 ambi=2 { CG:36.3 } atom: 255 37F-QB B 3.13 ambi=2 { CB:38.6 } :: atom: 273 38E-HG3 G 2.36 ambi=2 { CG:36.3 } atom: 255 37F-QB B 3.13 ambi=2 { CB:38.6 } ::sumAvg: 4.675 atom: 255 37F-QB B 3.13 ambi=2 { CB:38.6 } atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } ::sumAvg: 4.035 atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } atom: 255 37F-QB B 3.13 ambi=2 { CB:38.6 } ::sumAvg: 4.035 atom: 279 39T-HA A 4.28 ambi=1 { CA:64.1 } atom: 268 38E-H N 9 ambi=1 { N:116 } ::sumAvg: 4.915 atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } atom: 268 38E-H N 9 ambi=1 { N:116 } ::sumAvg: 4.725 atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } atom: 268 38E-H N 9 ambi=1 { N:116 } ::sumAvg: 4.33 atom: 269 38E-HA A 4.13 ambi=1 { CA:57.7 } atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } ::sumAvg: 4.96 atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } atom: 269 38E-HA A 4.13 ambi=1 { CA:57.7 } ::sumAvg: 4.85 atom: 279 39T-HA A 4.28 ambi=1 { CA:64.1 } atom: 270 38E-HB2 B 1.96 ambi=2 { CB:30.6 } :: atom: 279 39T-HA A 4.28 ambi=1 { CA:64.1 } atom: 271 38E-HB3 B 2.06 ambi=2 { CB:30.6 } ::sumAvg: 4.425 atom: 280 39T-HB B 4.08 ambi=1 { CB:70 } atom: 270 38E-HB2 B 1.96 ambi=2 { CB:30.6 } :: atom: 280 39T-HB B 4.08 ambi=1 { CB:70 } atom: 271 38E-HB3 B 2.06 ambi=2 { CB:30.6 } ::sumAvg: 4.825 atom: 270 38E-HB2 B 1.96 ambi=2 { CB:30.6 } atom: 281 39T-HG2 G2 0.94 ambi=1 { CG2:22.5 } :: atom: 271 38E-HB3 B 2.06 ambi=2 { CB:30.6 } atom: 281 39T-HG2 G2 0.94 ambi=1 { CG2:22.5 } ::sumAvg: 3.92 atom: 270 38E-HB2 B 1.96 ambi=2 { CB:30.6 } atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } :: atom: 271 38E-HB3 B 2.06 ambi=2 { CB:30.6 } atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } ::sumAvg: 4.435 atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } ::sumAvg: 4.735 atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } ::sumAvg: 4.39 atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } :: atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } ::sumAvg: 4.005 atom: 311 42P-HD2 D 2.95 ambi=2 { CD:49.4 } atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } :: atom: 312 42P-HD3 D 3.32 ambi=2 { CD:49.4 } atom: 278 39T-H N 7.39 ambi=1 { N:110.4 } ::sumAvg: 4.675 atom: 279 39T-HA A 4.28 ambi=1 { CA:64.1 } atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } ::sumAvg: 4.585 atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } atom: 279 39T-HA A 4.28 ambi=1 { CA:64.1 } ::sumAvg: 4.585 atom: 279 39T-HA A 4.28 ambi=1 { CA:64.1 } atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } :: atom: 279 39T-HA A 4.28 ambi=1 { CA:64.1 } atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } ::sumAvg: 4.855 atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 279 39T-HA A 4.28 ambi=1 { CA:64.1 } :: atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } atom: 279 39T-HA A 4.28 ambi=1 { CA:64.1 } ::sumAvg: 4.855 atom: 279 39T-HA A 4.28 ambi=1 { CA:64.1 } atom: 299 41K-H N 8.4 ambi=1 { N:118.8 } ::sumAvg: 4.35 atom: 279 39T-HA A 4.28 ambi=1 { CA:64.1 } atom: 309 42P-QG G 1.75 ambi=2 { CG:27.9 } ::sumAvg: 4.005 atom: 279 39T-HA A 4.28 ambi=1 { CA:64.1 } atom: 311 42P-HD2 D 2.95 ambi=2 { CD:49.4 } :: atom: 279 39T-HA A 4.28 ambi=1 { CA:64.1 } atom: 312 42P-HD3 D 3.32 ambi=2 { CD:49.4 } ::sumAvg: 3.805 atom: 311 42P-HD2 D 2.95 ambi=2 { CD:49.4 } atom: 279 39T-HA A 4.28 ambi=1 { CA:64.1 } :: atom: 312 42P-HD3 D 3.32 ambi=2 { CD:49.4 } atom: 279 39T-HA A 4.28 ambi=1 { CA:64.1 } ::sumAvg: 3.805 atom: 280 39T-HB B 4.08 ambi=1 { CB:70 } atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } ::sumAvg: 4.84 atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } atom: 280 39T-HB B 4.08 ambi=1 { CB:70 } ::sumAvg: 4.84 atom: 280 39T-HB B 4.08 ambi=1 { CB:70 } atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } :: atom: 280 39T-HB B 4.08 ambi=1 { CB:70 } atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } ::sumAvg: 3.78 atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 280 39T-HB B 4.08 ambi=1 { CB:70 } :: atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } atom: 280 39T-HB B 4.08 ambi=1 { CB:70 } ::sumAvg: 3.78 atom: 280 39T-HB B 4.08 ambi=1 { CB:70 } atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } ::sumAvg: 4.645 atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } atom: 280 39T-HB B 4.08 ambi=1 { CB:70 } ::sumAvg: 4.645 atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } atom: 281 39T-HG2 G2 0.94 ambi=1 { CG2:22.5 } ::sumAvg: 4.255 atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } atom: 281 39T-HG2 G2 0.94 ambi=1 { CG2:22.5 } ::sumAvg: 4.925 atom: 281 39T-HG2 G2 0.94 ambi=1 { CG2:22.5 } atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } ::sumAvg: 3.535 atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 281 39T-HG2 G2 0.94 ambi=1 { CG2:22.5 } ::sumAvg: 3.535 atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } ::sumAvg: 2.9 atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } :: atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } ::sumAvg: 2.535 atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } ::sumAvg: 4.21 atom: 311 42P-HD2 D 2.95 ambi=2 { CD:49.4 } atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } :: atom: 312 42P-HD3 D 3.32 ambi=2 { CD:49.4 } atom: 286 40I-H N 7.25 ambi=1 { N:120.9 } ::sumAvg: 3.93 atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } :: atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } ::sumAvg: 2.8 atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } atom: 299 41K-H N 8.4 ambi=1 { N:118.8 } ::sumAvg: 2.83 atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } atom: 300 41K-HA A 3.65 ambi=1 { CA:59 } ::sumAvg: 4.485 atom: 300 41K-HA A 3.65 ambi=1 { CA:59 } atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } ::sumAvg: 4.485 atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } ::sumAvg: 4.645 atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } ::sumAvg: 4.645 atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } atom: 312 42P-HD3 D 3.32 ambi=2 { CD:49.4 } ::sumAvg: 3.67 atom: 312 42P-HD3 D 3.32 ambi=2 { CD:49.4 } atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } ::sumAvg: 3.67 atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } atom: 317 43A-H N 6.79 ambi=1 { N:119.5 } ::sumAvg: 4.13 atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } atom: 323 44V-H N 8.38 ambi=1 { N:120.5 } ::sumAvg: 4.725 atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } atom: 326 44V-HG1 G1 0.94 ambi=2 { CG1:22.8 } :: atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } atom: 327 44V-HG2 G2 0.91 ambi=2 { CG2:21.1 } ::sumAvg: 4.055 atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } ::sumAvg: 4.435 atom: 287 40I-HA A 2.57 ambi=1 { CA:65.8 } atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } ::sumAvg: 4.17 atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } ::sumAvg: 2.45 atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } ::sumAvg: 2.76 atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } atom: 299 41K-H N 8.4 ambi=1 { N:118.8 } ::sumAvg: 3.375 atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } atom: 300 41K-HA A 3.65 ambi=1 { CA:59 } ::sumAvg: 4.775 atom: 300 41K-HA A 3.65 ambi=1 { CA:59 } atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } ::sumAvg: 4.775 atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } :: atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } ::sumAvg: 4.905 atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } :: atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } ::sumAvg: 4.64 atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } ::sumAvg: 4.96 atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } :: atom: 288 40I-HB B 1.47 ambi=1 { CB:37.3 } atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } ::sumAvg: 4.345 atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } ::sumAvg: 2.32 atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } ::sumAvg: 2.14 atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 299 41K-H N 8.4 ambi=1 { N:118.8 } :: atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } atom: 299 41K-H N 8.4 ambi=1 { N:118.8 } ::sumAvg: 4.605 atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 4.49 atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } ::sumAvg: 4.49 atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 778 87L-HA A 3.96 ambi=1 { CA:59.1 } :: atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } atom: 778 87L-HA A 3.96 ambi=1 { CA:59.1 } ::sumAvg: 4.4 atom: 778 87L-HA A 3.96 ambi=1 { CA:59.1 } atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } :: atom: 778 87L-HA A 3.96 ambi=1 { CA:59.1 } atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } ::sumAvg: 4.4 atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } :: atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } ::sumAvg: 4.955 atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } :: atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } ::sumAvg: 4.955 atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } :: atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } :: atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } :: atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } ::sumAvg: 2.57 atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } :: atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } :: atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } :: atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } ::sumAvg: 2.57 atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } :: atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } ::sumAvg: 4.615 atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } :: atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } ::sumAvg: 3.16 atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } :: atom: 290 40I-HG13 G1 1.13 ambi=2 { CG1:27.6 } atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } ::sumAvg: 4.885 atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } :: atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } ::sumAvg: 3.725 atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } :: atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } atom: 289 40I-HG12 G1 0.2 ambi=2 { CG1:27.6 } ::sumAvg: 3.725 atom: 300 41K-HA A 3.65 ambi=1 { CA:59 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } ::sumAvg: 3.45 atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } ::sumAvg: 4.31 atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } ::sumAvg: 4.31 atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } atom: 311 42P-HD2 D 2.95 ambi=2 { CD:49.4 } :: atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } atom: 312 42P-HD3 D 3.32 ambi=2 { CD:49.4 } ::sumAvg: 4.795 atom: 311 42P-HD2 D 2.95 ambi=2 { CD:49.4 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } :: atom: 312 42P-HD3 D 3.32 ambi=2 { CD:49.4 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } ::sumAvg: 4.795 atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } atom: 317 43A-H N 6.79 ambi=1 { N:119.5 } ::sumAvg: 4.64 atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } ::sumAvg: 3.715 atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } atom: 325 44V-HB B 2.15 ambi=1 { CB:31.5 } ::sumAvg: 3.94 atom: 325 44V-HB B 2.15 ambi=1 { CB:31.5 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } ::sumAvg: 3.94 atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } atom: 769 86V-HB B 1.87 ambi=1 { CB:31.5 } ::sumAvg: 4.98 atom: 769 86V-HB B 1.87 ambi=1 { CB:31.5 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } ::sumAvg: 4.98 atom: 778 87L-HA A 3.96 ambi=1 { CA:59.1 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } ::sumAvg: 2.89 atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } atom: 779 87L-HB2 B 1.62 ambi=2 { CB:42.3 } :: atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } atom: 780 87L-HB3 B 2.01 ambi=2 { CB:42.3 } ::sumAvg: 3.785 atom: 779 87L-HB2 B 1.62 ambi=2 { CB:42.3 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } :: atom: 780 87L-HB3 B 2.01 ambi=2 { CB:42.3 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } ::sumAvg: 3.785 atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } atom: 781 87L-HG G 1.54 ambi=1 { CG:26.8 } ::sumAvg: 3.505 atom: 781 87L-HG G 1.54 ambi=1 { CG:26.8 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } ::sumAvg: 3.505 atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } :: atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } ::sumAvg: 3.385 atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } atom: 810 90Y-H N 7.33 ambi=1 { N:116 } ::sumAvg: 4.725 atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } ::sumAvg: 4.945 atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } ::sumAvg: 4.505 atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } atom: 291 40I-HG2 G2 0.51 ambi=1 { CG2:16.6 } ::sumAvg: 3.42 atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } ::sumAvg: 4.825 atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 4.635 atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } ::sumAvg: 4.635 atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } atom: 781 87L-HG G 1.54 ambi=1 { CG:26.8 } ::sumAvg: 4.455 atom: 781 87L-HG G 1.54 ambi=1 { CG:26.8 } atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } ::sumAvg: 4.455 atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } :: atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } ::sumAvg: 2.57 atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } atom: 811 90Y-HA A 4.32 ambi=1 { CA:59.7 } ::sumAvg: 4.48 atom: 811 90Y-HA A 4.32 ambi=1 { CA:59.7 } atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } ::sumAvg: 4.48 atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } ::sumAvg: 4.765 atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } ::sumAvg: 4.085 atom: 824 91V-HA A 4.01 ambi=1 { CA:62.6 } atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } ::sumAvg: 4.89 atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } atom: 825 91V-HB B 1.93 ambi=1 { CB:32.7 } ::sumAvg: 4.8 atom: 825 91V-HB B 1.93 ambi=1 { CB:32.7 } atom: 292 40I-HD1 D1 0.77 ambi=1 { CD1:13.6 } ::sumAvg: 4.8 atom: 300 41K-HA A 3.65 ambi=1 { CA:59 } atom: 306 42P-HA A 4.28 ambi=1 { CA:65.3 } ::sumAvg: 4.87 atom: 306 42P-HA A 4.28 ambi=1 { CA:65.3 } atom: 300 41K-HA A 3.65 ambi=1 { CA:59 } ::sumAvg: 4.87 atom: 311 42P-HD2 D 2.95 ambi=2 { CD:49.4 } atom: 300 41K-HA A 3.65 ambi=1 { CA:59 } ::sumAvg: 3.955 atom: 300 41K-HA A 3.65 ambi=1 { CA:59 } atom: 317 43A-H N 6.79 ambi=1 { N:119.5 } ::sumAvg: 4.315 atom: 300 41K-HA A 3.65 ambi=1 { CA:59 } atom: 325 44V-HB B 2.15 ambi=1 { CB:31.5 } ::sumAvg: 4.18 atom: 300 41K-HA A 3.65 ambi=1 { CA:59 } atom: 326 44V-HG1 G1 0.94 ambi=2 { CG1:22.8 } :: atom: 300 41K-HA A 3.65 ambi=1 { CA:59 } atom: 327 44V-HG2 G2 0.91 ambi=2 { CG2:21.1 } ::sumAvg: 3.485 atom: 300 41K-HA A 3.65 ambi=1 { CA:59 } atom: 335 45E-HB2 B 2 ambi=2 { CB:29.3 } :: atom: 300 41K-HA A 3.65 ambi=1 { CA:59 } atom: 336 45E-HB3 B 2.04 ambi=2 { CB:29.3 } ::sumAvg: 4.2 atom: 335 45E-HB2 B 2 ambi=2 { CB:29.3 } atom: 300 41K-HA A 3.65 ambi=1 { CA:59 } :: atom: 336 45E-HB3 B 2.04 ambi=2 { CB:29.3 } atom: 300 41K-HA A 3.65 ambi=1 { CA:59 } ::sumAvg: 4.2 atom: 300 41K-HA A 3.65 ambi=1 { CA:59 } atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } :: atom: 300 41K-HA A 3.65 ambi=1 { CA:59 } atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } ::sumAvg: 4.52 atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } atom: 326 44V-HG1 G1 0.94 ambi=2 { CG1:22.8 } :: atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } atom: 327 44V-HG2 G2 0.91 ambi=2 { CG2:21.1 } ::sumAvg: 4.95 atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } atom: 335 45E-HB2 B 2 ambi=2 { CB:29.3 } :: atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } atom: 336 45E-HB3 B 2.04 ambi=2 { CB:29.3 } ::sumAvg: 4.775 atom: 335 45E-HB2 B 2 ambi=2 { CB:29.3 } atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } :: atom: 336 45E-HB3 B 2.04 ambi=2 { CB:29.3 } atom: 301 41K-QB B 1.6 ambi=2 { CB:29.7 } ::sumAvg: 4.775 atom: 306 42P-HA A 4.28 ambi=1 { CA:65.3 } atom: 311 42P-HD2 D 2.95 ambi=2 { CD:49.4 } :: atom: 306 42P-HA A 4.28 ambi=1 { CA:65.3 } atom: 312 42P-HD3 D 3.32 ambi=2 { CD:49.4 } ::sumAvg: 3.625 atom: 311 42P-HD2 D 2.95 ambi=2 { CD:49.4 } atom: 306 42P-HA A 4.28 ambi=1 { CA:65.3 } :: atom: 312 42P-HD3 D 3.32 ambi=2 { CD:49.4 } atom: 306 42P-HA A 4.28 ambi=1 { CA:65.3 } ::sumAvg: 3.625 atom: 306 42P-HA A 4.28 ambi=1 { CA:65.3 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } ::sumAvg: 4.97 atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } atom: 306 42P-HA A 4.28 ambi=1 { CA:65.3 } ::sumAvg: 4.97 atom: 306 42P-HA A 4.28 ambi=1 { CA:65.3 } atom: 347 46E-QG G 2.31 ambi=2 { CG:35.9 } ::sumAvg: 4.625 atom: 307 42P-HB2 B 1.63 ambi=2 { CB:30.2 } atom: 318 43A-HA A 4.19 ambi=1 { CA:54.9 } :: atom: 308 42P-HB3 B 2.17 ambi=2 { CB:30.2 } atom: 318 43A-HA A 4.19 ambi=1 { CA:54.9 } ::sumAvg: 4.22 atom: 308 42P-HB3 B 2.17 ambi=2 { CB:30.2 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } ::sumAvg: 4.18 atom: 345 46E-HB2 B 2.03 ambi=2 { CB:29.3 } atom: 307 42P-HB2 B 1.63 ambi=2 { CB:30.2 } :: atom: 346 46E-HB3 B 2.17 ambi=2 { CB:29.3 } atom: 307 42P-HB2 B 1.63 ambi=2 { CB:30.2 } ::sumAvg: 4.68 atom: 309 42P-QG G 1.75 ambi=2 { CG:27.9 } atom: 318 43A-HA A 4.19 ambi=1 { CA:54.9 } ::sumAvg: 4.815 atom: 318 43A-HA A 4.19 ambi=1 { CA:54.9 } atom: 309 42P-QG G 1.75 ambi=2 { CG:27.9 } ::sumAvg: 4.815 atom: 309 42P-QG G 1.75 ambi=2 { CG:27.9 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } ::sumAvg: 4.205 atom: 311 42P-HD2 D 2.95 ambi=2 { CD:49.4 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } :: atom: 312 42P-HD3 D 3.32 ambi=2 { CD:49.4 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } ::sumAvg: 4.115 atom: 326 44V-HG1 G1 0.94 ambi=2 { CG1:22.8 } atom: 317 43A-H N 6.79 ambi=1 { N:119.5 } :: atom: 327 44V-HG2 G2 0.91 ambi=2 { CG2:21.1 } atom: 317 43A-H N 6.79 ambi=1 { N:119.5 } ::sumAvg: 3.925 atom: 324 44V-HA A 3.46 ambi=1 { CA:67.2 } atom: 318 43A-HA A 4.19 ambi=1 { CA:54.9 } ::sumAvg: 4.715 atom: 318 43A-HA A 4.19 ambi=1 { CA:54.9 } atom: 326 44V-HG1 G1 0.94 ambi=2 { CG1:22.8 } :: atom: 318 43A-HA A 4.19 ambi=1 { CA:54.9 } atom: 327 44V-HG2 G2 0.91 ambi=2 { CG2:21.1 } ::sumAvg: 4.985 atom: 326 44V-HG1 G1 0.94 ambi=2 { CG1:22.8 } atom: 318 43A-HA A 4.19 ambi=1 { CA:54.9 } :: atom: 327 44V-HG2 G2 0.91 ambi=2 { CG2:21.1 } atom: 318 43A-HA A 4.19 ambi=1 { CA:54.9 } ::sumAvg: 4.985 atom: 318 43A-HA A 4.19 ambi=1 { CA:54.9 } atom: 353 47N-H N 7.7 ambi=1 { N:118 } ::sumAvg: 3.81 atom: 318 43A-HA A 4.19 ambi=1 { CA:54.9 } atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } :: atom: 318 43A-HA A 4.19 ambi=1 { CA:54.9 } atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } ::sumAvg: 3.985 atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 318 43A-HA A 4.19 ambi=1 { CA:54.9 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 318 43A-HA A 4.19 ambi=1 { CA:54.9 } ::sumAvg: 3.985 atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 318 43A-HA A 4.19 ambi=1 { CA:54.9 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 318 43A-HA A 4.19 ambi=1 { CA:54.9 } ::sumAvg: 4.405 atom: 324 44V-HA A 3.46 ambi=1 { CA:67.2 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } ::sumAvg: 3.85 atom: 325 44V-HB B 2.15 ambi=1 { CB:31.5 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } ::sumAvg: 4.3 atom: 327 44V-HG2 G2 0.91 ambi=2 { CG2:21.1 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } ::sumAvg: 3.32 atom: 345 46E-HB2 B 2.03 ambi=2 { CB:29.3 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } :: atom: 346 46E-HB3 B 2.17 ambi=2 { CB:29.3 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } ::sumAvg: 4.93 atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } ::sumAvg: 4.285 atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } ::sumAvg: 4.35 atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } ::sumAvg: 4.35 atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } atom: 769 86V-HB B 1.87 ambi=1 { CB:31.5 } ::sumAvg: 4.16 atom: 769 86V-HB B 1.87 ambi=1 { CB:31.5 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } ::sumAvg: 4.16 atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } atom: 778 87L-HA A 3.96 ambi=1 { CA:59.1 } ::sumAvg: 4.975 atom: 778 87L-HA A 3.96 ambi=1 { CA:59.1 } atom: 319 43A-HB B 1.31 ambi=1 { CB:18 } ::sumAvg: 4.975 atom: 324 44V-HA A 3.46 ambi=1 { CA:67.2 } atom: 365 48D-HB2 B 2.88 ambi=2 { CB:41.7 } :: atom: 324 44V-HA A 3.46 ambi=1 { CA:67.2 } atom: 366 48D-HB3 B 2.96 ambi=2 { CB:41.7 } ::sumAvg: 3.68 atom: 365 48D-HB2 B 2.88 ambi=2 { CB:41.7 } atom: 324 44V-HA A 3.46 ambi=1 { CA:67.2 } :: atom: 366 48D-HB3 B 2.96 ambi=2 { CB:41.7 } atom: 324 44V-HA A 3.46 ambi=1 { CA:67.2 } ::sumAvg: 3.68 atom: 334 45E-HA A 4.06 ambi=1 { CA:59.6 } atom: 324 44V-HA A 3.46 ambi=1 { CA:67.2 } ::sumAvg: 4.725 atom: 324 44V-HA A 3.46 ambi=1 { CA:67.2 } atom: 353 47N-H N 7.7 ambi=1 { N:118 } ::sumAvg: 4.225 atom: 324 44V-HA A 3.46 ambi=1 { CA:67.2 } atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } :: atom: 324 44V-HA A 3.46 ambi=1 { CA:67.2 } atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } ::sumAvg: 4.565 atom: 324 44V-HA A 3.46 ambi=1 { CA:67.2 } atom: 363 48D-H N 8.81 ambi=1 { N:124 } ::sumAvg: 4.335 atom: 324 44V-HA A 3.46 ambi=1 { CA:67.2 } atom: 732 83L-HA A 3.9 ambi=1 { CA:57 } ::sumAvg: 4.955 atom: 732 83L-HA A 3.9 ambi=1 { CA:57 } atom: 324 44V-HA A 3.46 ambi=1 { CA:67.2 } ::sumAvg: 4.955 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 324 44V-HA A 3.46 ambi=1 { CA:67.2 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 324 44V-HA A 3.46 ambi=1 { CA:67.2 } ::sumAvg: 3.155 atom: 325 44V-HB B 2.15 ambi=1 { CB:31.5 } atom: 334 45E-HA A 4.06 ambi=1 { CA:59.6 } ::sumAvg: 4.93 atom: 335 45E-HB2 B 2 ambi=2 { CB:29.3 } atom: 326 44V-HG1 G1 0.94 ambi=2 { CG1:22.8 } :: atom: 336 45E-HB3 B 2.04 ambi=2 { CB:29.3 } atom: 326 44V-HG1 G1 0.94 ambi=2 { CG1:22.8 } :: atom: 335 45E-HB2 B 2 ambi=2 { CB:29.3 } atom: 327 44V-HG2 G2 0.91 ambi=2 { CG2:21.1 } :: atom: 336 45E-HB3 B 2.04 ambi=2 { CB:29.3 } atom: 327 44V-HG2 G2 0.91 ambi=2 { CG2:21.1 } ::sumAvg: 4.245 atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 326 44V-HG1 G1 0.94 ambi=2 { CG1:22.8 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 326 44V-HG1 G1 0.94 ambi=2 { CG1:22.8 } :: atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 327 44V-HG2 G2 0.91 ambi=2 { CG2:21.1 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 327 44V-HG2 G2 0.91 ambi=2 { CG2:21.1 } ::sumAvg: 4.66 atom: 326 44V-HG1 G1 0.94 ambi=2 { CG1:22.8 } atom: 363 48D-H N 8.81 ambi=1 { N:124 } :: atom: 327 44V-HG2 G2 0.91 ambi=2 { CG2:21.1 } atom: 363 48D-H N 8.81 ambi=1 { N:124 } ::sumAvg: 4.595 atom: 326 44V-HG1 G1 0.94 ambi=2 { CG1:22.8 } atom: 732 83L-HA A 3.9 ambi=1 { CA:57 } :: atom: 327 44V-HG2 G2 0.91 ambi=2 { CG2:21.1 } atom: 732 83L-HA A 3.9 ambi=1 { CA:57 } ::sumAvg: 4.56 atom: 769 86V-HB B 1.87 ambi=1 { CB:31.5 } atom: 326 44V-HG1 G1 0.94 ambi=2 { CG1:22.8 } :: atom: 769 86V-HB B 1.87 ambi=1 { CB:31.5 } atom: 327 44V-HG2 G2 0.91 ambi=2 { CG2:21.1 } ::sumAvg: 4.61 atom: 326 44V-HG1 G1 0.94 ambi=2 { CG1:22.8 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } :: atom: 327 44V-HG2 G2 0.91 ambi=2 { CG2:21.1 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 3.48 atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 326 44V-HG1 G1 0.94 ambi=2 { CG1:22.8 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 327 44V-HG2 G2 0.91 ambi=2 { CG2:21.1 } ::sumAvg: 3.48 atom: 365 48D-HB2 B 2.88 ambi=2 { CB:41.7 } atom: 333 45E-H N 8.41 ambi=1 { N:118.4 } :: atom: 366 48D-HB3 B 2.96 ambi=2 { CB:41.7 } atom: 333 45E-H N 8.41 ambi=1 { N:118.4 } ::sumAvg: 4.805 atom: 334 45E-HA A 4.06 ambi=1 { CA:59.6 } atom: 353 47N-H N 7.7 ambi=1 { N:118 } ::sumAvg: 4.725 atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 343 46E-H N 8.39 ambi=1 { N:118.8 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 343 46E-H N 8.39 ambi=1 { N:118.8 } ::sumAvg: 4.88 atom: 344 46E-HA A 4.2 ambi=1 { CA:58.9 } atom: 365 48D-HB2 B 2.88 ambi=2 { CB:41.7 } :: atom: 344 46E-HA A 4.2 ambi=1 { CA:58.9 } atom: 366 48D-HB3 B 2.96 ambi=2 { CB:41.7 } ::sumAvg: 4.805 atom: 365 48D-HB2 B 2.88 ambi=2 { CB:41.7 } atom: 344 46E-HA A 4.2 ambi=1 { CA:58.9 } :: atom: 366 48D-HB3 B 2.96 ambi=2 { CB:41.7 } atom: 344 46E-HA A 4.2 ambi=1 { CA:58.9 } ::sumAvg: 4.805 atom: 344 46E-HA A 4.2 ambi=1 { CA:58.9 } atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } ::sumAvg: 4.68 atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } atom: 344 46E-HA A 4.2 ambi=1 { CA:58.9 } ::sumAvg: 4.68 atom: 344 46E-HA A 4.2 ambi=1 { CA:58.9 } atom: 363 48D-H N 8.81 ambi=1 { N:124 } ::sumAvg: 4.18 atom: 345 46E-HB2 B 2.03 ambi=2 { CB:29.3 } atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } :: atom: 346 46E-HB3 B 2.17 ambi=2 { CB:29.3 } atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } ::sumAvg: 4.345 atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } atom: 345 46E-HB2 B 2.03 ambi=2 { CB:29.3 } :: atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } atom: 346 46E-HB3 B 2.17 ambi=2 { CB:29.3 } ::sumAvg: 4.345 atom: 345 46E-HB2 B 2.03 ambi=2 { CB:29.3 } atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } :: atom: 345 46E-HB2 B 2.03 ambi=2 { CB:29.3 } atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } :: atom: 346 46E-HB3 B 2.17 ambi=2 { CB:29.3 } atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } :: atom: 346 46E-HB3 B 2.17 ambi=2 { CB:29.3 } atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } ::sumAvg: 4.915 atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 345 46E-HB2 B 2.03 ambi=2 { CB:29.3 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 345 46E-HB2 B 2.03 ambi=2 { CB:29.3 } :: atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 346 46E-HB3 B 2.17 ambi=2 { CB:29.3 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 346 46E-HB3 B 2.17 ambi=2 { CB:29.3 } ::sumAvg: 4.915 atom: 345 46E-HB2 B 2.03 ambi=2 { CB:29.3 } atom: 363 48D-H N 8.81 ambi=1 { N:124 } :: atom: 346 46E-HB3 B 2.17 ambi=2 { CB:29.3 } atom: 363 48D-H N 8.81 ambi=1 { N:124 } ::sumAvg: 4.82 atom: 347 46E-QG G 2.31 ambi=2 { CG:35.9 } atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } ::sumAvg: 4.735 atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } atom: 347 46E-QG G 2.31 ambi=2 { CG:35.9 } ::sumAvg: 4.735 atom: 365 48D-HB2 B 2.88 ambi=2 { CB:41.7 } atom: 353 47N-H N 7.7 ambi=1 { N:118 } :: atom: 366 48D-HB3 B 2.96 ambi=2 { CB:41.7 } atom: 353 47N-H N 7.7 ambi=1 { N:118 } ::sumAvg: 4.695 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 353 47N-H N 7.7 ambi=1 { N:118 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 353 47N-H N 7.7 ambi=1 { N:118 } ::sumAvg: 4.475 atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } :: atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } ::sumAvg: 4.31 atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } atom: 363 48D-H N 8.81 ambi=1 { N:124 } ::sumAvg: 3.315 atom: 372 49E-QB B 2.15 ambi=2 { CB:29.3 } atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } ::sumAvg: 4.705 atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } atom: 370 49E-H N 7.31 ambi=1 { N:117.6 } ::sumAvg: 4.14 atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } atom: 381 50L-HA A 4.16 ambi=1 { CA:58 } ::sumAvg: 4.82 atom: 381 50L-HA A 4.16 ambi=1 { CA:58 } atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } ::sumAvg: 4.82 atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } atom: 384 50L-HG G 1.56 ambi=1 { CG:26.8 } ::sumAvg: 4.04 atom: 384 50L-HG G 1.56 ambi=1 { CG:26.8 } atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } ::sumAvg: 4.04 atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } :: atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } ::sumAvg: 2.94 atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } :: atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } ::sumAvg: 2.94 atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } ::sumAvg: 4.15 atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 3.98 atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } :: atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } ::sumAvg: 4.83 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 354 47N-HA A 4.9 ambi=1 { CA:57.1 } ::sumAvg: 4.83 atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } ::sumAvg: 4.515 atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } :: atom: 364 48D-HA A 4.52 ambi=1 { CA:57.8 } atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } ::sumAvg: 4.515 atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 363 48D-H N 8.81 ambi=1 { N:124 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 363 48D-H N 8.81 ambi=1 { N:124 } ::sumAvg: 3.54 atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 380 50L-H N 7.59 ambi=1 { N:119.5 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 380 50L-H N 7.59 ambi=1 { N:119.5 } ::sumAvg: 4.485 atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 382 50L-HB2 B 2.12 ambi=2 { CB:41.8 } :: atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 382 50L-HB2 B 2.12 ambi=2 { CB:41.8 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } ::sumAvg: 3.105 atom: 382 50L-HB2 B 2.12 ambi=2 { CB:41.8 } atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } :: atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } :: atom: 382 50L-HB2 B 2.12 ambi=2 { CB:41.8 } atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } :: atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } ::sumAvg: 3.105 atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 384 50L-HG G 1.56 ambi=1 { CG:26.8 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 384 50L-HG G 1.56 ambi=1 { CG:26.8 } ::sumAvg: 4.925 atom: 384 50L-HG G 1.56 ambi=1 { CG:26.8 } atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } :: atom: 384 50L-HG G 1.56 ambi=1 { CG:26.8 } atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } ::sumAvg: 4.925 atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } :: atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } ::sumAvg: 3.17 atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } ::sumAvg: 4.21 atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } ::sumAvg: 4.305 atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } :: atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } ::sumAvg: 4.305 atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } ::sumAvg: 4.465 atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } ::sumAvg: 3.685 atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 355 47N-HB2 B 2.72 ambi=2 { CB:39 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 356 47N-HB3 B 2.82 ambi=2 { CB:39 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 3.655 atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } :: atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } :: atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } :: atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } ::sumAvg: 4.525 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 357 47N-HD21 D2 7.49 ambi=2 { ND2:112.5 } :: atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 358 47N-HD22 D2 6.72 ambi=2 { ND2:112.5 } ::sumAvg: 4.63 atom: 372 49E-QB B 2.15 ambi=2 { CB:29.3 } atom: 363 48D-H N 8.81 ambi=1 { N:124 } ::sumAvg: 4.48 atom: 382 50L-HB2 B 2.12 ambi=2 { CB:41.8 } atom: 363 48D-H N 8.81 ambi=1 { N:124 } :: atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } atom: 363 48D-H N 8.81 ambi=1 { N:124 } ::sumAvg: 4.755 atom: 372 49E-QB B 2.15 ambi=2 { CB:29.3 } atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } ::sumAvg: 4.36 atom: 372 49E-QB B 2.15 ambi=2 { CB:29.3 } atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } :: atom: 372 49E-QB B 2.15 ambi=2 { CB:29.3 } atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } ::sumAvg: 4.635 atom: 372 49E-QB B 2.15 ambi=2 { CB:29.3 } atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } ::sumAvg: 4.18 atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } atom: 372 49E-QB B 2.15 ambi=2 { CB:29.3 } ::sumAvg: 4.18 atom: 372 49E-QB B 2.15 ambi=2 { CB:29.3 } atom: 405 53R-H N 8.07 ambi=1 { N:119.5 } ::sumAvg: 4.77 atom: 372 49E-QB B 2.15 ambi=2 { CB:29.3 } atom: 411 53R-QD D 3.27 ambi=2 { CD:43.5 } ::sumAvg: 4.65 atom: 382 50L-HB2 B 2.12 ambi=2 { CB:41.8 } atom: 370 49E-H N 7.31 ambi=1 { N:117.6 } :: atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } atom: 370 49E-H N 7.31 ambi=1 { N:117.6 } ::sumAvg: 4.605 atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } atom: 370 49E-H N 7.31 ambi=1 { N:117.6 } ::sumAvg: 4.505 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 370 49E-H N 7.31 ambi=1 { N:117.6 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 370 49E-H N 7.31 ambi=1 { N:117.6 } ::sumAvg: 4.93 atom: 371 49E-HA A 4.07 ambi=1 { CA:59.5 } atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } ::sumAvg: 4.635 atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } atom: 375 49E-HG3 G 2.45 ambi=2 { CG:35.9 } :: atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } atom: 374 49E-HG2 G 2.32 ambi=2 { CG:35.9 } ::sumAvg: 4.015 atom: 409 53R-HG2 G 1.92 ambi=2 { CG:27.8 } atom: 375 49E-HG3 G 2.45 ambi=2 { CG:35.9 } :: atom: 410 53R-HG3 G 1.81 ambi=2 { CG:27.8 } atom: 375 49E-HG3 G 2.45 ambi=2 { CG:35.9 } :: atom: 409 53R-HG2 G 1.92 ambi=2 { CG:27.8 } atom: 374 49E-HG2 G 2.32 ambi=2 { CG:35.9 } :: atom: 410 53R-HG3 G 1.81 ambi=2 { CG:27.8 } atom: 374 49E-HG2 G 2.32 ambi=2 { CG:35.9 } ::sumAvg: 3.85 atom: 375 49E-HG3 G 2.45 ambi=2 { CG:35.9 } atom: 411 53R-QD D 3.27 ambi=2 { CD:43.5 } :: atom: 374 49E-HG2 G 2.32 ambi=2 { CG:35.9 } atom: 411 53R-QD D 3.27 ambi=2 { CD:43.5 } ::sumAvg: 4.27 atom: 411 53R-QD D 3.27 ambi=2 { CD:43.5 } atom: 375 49E-HG3 G 2.45 ambi=2 { CG:35.9 } :: atom: 411 53R-QD D 3.27 ambi=2 { CD:43.5 } atom: 374 49E-HG2 G 2.32 ambi=2 { CG:35.9 } ::sumAvg: 4.27 atom: 384 50L-HG G 1.56 ambi=1 { CG:26.8 } atom: 380 50L-H N 7.59 ambi=1 { N:119.5 } ::sumAvg: 3.38 atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } atom: 380 50L-H N 7.59 ambi=1 { N:119.5 } ::sumAvg: 4.475 atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } atom: 380 50L-H N 7.59 ambi=1 { N:119.5 } ::sumAvg: 4.7 atom: 384 50L-HG G 1.56 ambi=1 { CG:26.8 } atom: 381 50L-HA A 4.16 ambi=1 { CA:58 } ::sumAvg: 3.1 atom: 381 50L-HA A 4.16 ambi=1 { CA:58 } atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } ::sumAvg: 3.555 atom: 381 50L-HA A 4.16 ambi=1 { CA:58 } atom: 399 52A-H N 8.41 ambi=1 { N:119.4 } ::sumAvg: 4.505 atom: 381 50L-HA A 4.16 ambi=1 { CA:58 } atom: 411 53R-QD D 3.27 ambi=2 { CD:43.5 } ::sumAvg: 4.91 atom: 381 50L-HA A 4.16 ambi=1 { CA:58 } atom: 418 54W-H N 9.27 ambi=1 { N:124 } ::sumAvg: 4.085 atom: 381 50L-HA A 4.16 ambi=1 { CA:58 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } :: atom: 381 50L-HA A 4.16 ambi=1 { CA:58 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } ::sumAvg: 4.83 atom: 382 50L-HB2 B 2.12 ambi=2 { CB:41.8 } atom: 384 50L-HG G 1.56 ambi=1 { CG:26.8 } ::sumAvg: 2.485 atom: 382 50L-HB2 B 2.12 ambi=2 { CB:41.8 } atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } :: atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } ::sumAvg: 2.445 atom: 382 50L-HB2 B 2.12 ambi=2 { CB:41.8 } atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } ::sumAvg: 3.88 atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } atom: 382 50L-HB2 B 2.12 ambi=2 { CB:41.8 } ::sumAvg: 3.88 atom: 382 50L-HB2 B 2.12 ambi=2 { CB:41.8 } atom: 399 52A-H N 8.41 ambi=1 { N:119.4 } :: atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } atom: 399 52A-H N 8.41 ambi=1 { N:119.4 } ::sumAvg: 4.82 atom: 382 50L-HB2 B 2.12 ambi=2 { CB:41.8 } atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } :: atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } ::sumAvg: 4.825 atom: 382 50L-HB2 B 2.12 ambi=2 { CB:41.8 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } :: atom: 383 50L-HB3 B 1.68 ambi=2 { CB:41.8 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 3.5 atom: 384 50L-HG G 1.56 ambi=1 { CG:26.8 } atom: 394 51A-HA A 4.21 ambi=1 { CA:54.9 } ::sumAvg: 4.885 atom: 384 50L-HG G 1.56 ambi=1 { CG:26.8 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 4.46 atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } :: atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } ::sumAvg: 4.525 atom: 407 53R-HB2 B 2.11 ambi=2 { CB:30.9 } atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } :: atom: 408 53R-HB3 B 1.9 ambi=2 { CB:30.9 } atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } :: atom: 407 53R-HB2 B 2.11 ambi=2 { CB:30.9 } atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } :: atom: 408 53R-HB3 B 1.9 ambi=2 { CB:30.9 } atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } ::sumAvg: 4.075 atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } atom: 418 54W-H N 9.27 ambi=1 { N:124 } :: atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } atom: 418 54W-H N 9.27 ambi=1 { N:124 } ::sumAvg: 4.62 atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } :: atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } :: atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } :: atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } ::sumAvg: 4.165 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } :: atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } ::sumAvg: 4.165 atom: 385 50L-HD1 D1 0.96 ambi=2 { CD1:22.1 } atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } :: atom: 386 50L-HD2 D2 1 ambi=2 { CD2:26.4 } atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } ::sumAvg: 2.895 atom: 438 55A-HA A 3.22 ambi=1 { CA:55.1 } atom: 444 56E-HA A 3.88 ambi=1 { CA:59.2 } ::sumAvg: 4.83 atom: 444 56E-HA A 3.88 ambi=1 { CA:59.2 } atom: 438 55A-HA A 3.22 ambi=1 { CA:55.1 } ::sumAvg: 4.83 atom: 438 55A-HA A 3.22 ambi=1 { CA:55.1 } atom: 453 57G-H N 7.65 ambi=1 { N:106 } ::sumAvg: 4.445 atom: 438 55A-HA A 3.22 ambi=1 { CA:55.1 } atom: 466 59L-HB2 B 1.86 ambi=2 { CB:40.8 } :: atom: 438 55A-HA A 3.22 ambi=1 { CA:55.1 } atom: 467 59L-HB3 B 1.31 ambi=2 { CB:40.8 } ::sumAvg: 4.74 atom: 466 59L-HB2 B 1.86 ambi=2 { CB:40.8 } atom: 438 55A-HA A 3.22 ambi=1 { CA:55.1 } :: atom: 467 59L-HB3 B 1.31 ambi=2 { CB:40.8 } atom: 438 55A-HA A 3.22 ambi=1 { CA:55.1 } ::sumAvg: 4.74 atom: 438 55A-HA A 3.22 ambi=1 { CA:55.1 } atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } :: atom: 438 55A-HA A 3.22 ambi=1 { CA:55.1 } atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } ::sumAvg: 4.675 atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } atom: 438 55A-HA A 3.22 ambi=1 { CA:55.1 } :: atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } atom: 438 55A-HA A 3.22 ambi=1 { CA:55.1 } ::sumAvg: 4.675 atom: 438 55A-HA A 3.22 ambi=1 { CA:55.1 } atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } ::sumAvg: 4.115 atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } atom: 438 55A-HA A 3.22 ambi=1 { CA:55.1 } ::sumAvg: 4.115 atom: 438 55A-HA A 3.22 ambi=1 { CA:55.1 } atom: 685 79K-HB2 B 1.92 ambi=2 { CB:31.5 } :: atom: 438 55A-HA A 3.22 ambi=1 { CA:55.1 } atom: 686 79K-HB3 B 2.06 ambi=2 { CB:31.5 } ::sumAvg: 4.69 atom: 444 56E-HA A 3.88 ambi=1 { CA:59.2 } atom: 439 55A-HB B 1.52 ambi=1 { CB:17.5 } ::sumAvg: 3.83 atom: 439 55A-HB B 1.52 ambi=1 { CB:17.5 } atom: 448 56E-HG3 G 2.38 ambi=2 { CG:36 } :: atom: 439 55A-HB B 1.52 ambi=1 { CB:17.5 } atom: 447 56E-HG2 G 2.22 ambi=2 { CG:36 } ::sumAvg: 4.48 atom: 439 55A-HB B 1.52 ambi=1 { CB:17.5 } atom: 453 57G-H N 7.65 ambi=1 { N:106 } ::sumAvg: 4.63 atom: 439 55A-HB B 1.52 ambi=1 { CB:17.5 } atom: 458 58A-H N 8.95 ambi=1 { N:127.4 } ::sumAvg: 4.585 atom: 439 55A-HB B 1.52 ambi=1 { CB:17.5 } atom: 646 75I-HB B 2.11 ambi=1 { CB:36.8 } ::sumAvg: 4.815 atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } atom: 439 55A-HB B 1.52 ambi=1 { CB:17.5 } ::sumAvg: 4.535 atom: 439 55A-HB B 1.52 ambi=1 { CB:17.5 } atom: 658 76E-HA A 3.97 ambi=1 { CA:59.2 } ::sumAvg: 3.75 atom: 439 55A-HB B 1.52 ambi=1 { CB:17.5 } atom: 661 76E-HG2 G 2.18 ambi=2 { CG:37.3 } :: atom: 439 55A-HB B 1.52 ambi=1 { CB:17.5 } atom: 662 76E-HG3 G 2.51 ambi=2 { CG:37.3 } ::sumAvg: 4.315 atom: 439 55A-HB B 1.52 ambi=1 { CB:17.5 } atom: 684 79K-HA A 3.78 ambi=1 { CA:61.8 } ::sumAvg: 3.835 atom: 439 55A-HB B 1.52 ambi=1 { CB:17.5 } atom: 691 79K-QE E 2.99 ambi=2 { CE:41.9 } ::sumAvg: 3.515 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } ::sumAvg: 4.93 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 393 51A-H N 8.62 ambi=1 { N:118.9 } ::sumAvg: 4.535 atom: 394 51A-HA A 4.21 ambi=1 { CA:54.9 } atom: 684 79K-HA A 3.78 ambi=1 { CA:61.8 } ::sumAvg: 4.41 atom: 684 79K-HA A 3.78 ambi=1 { CA:61.8 } atom: 394 51A-HA A 4.21 ambi=1 { CA:54.9 } ::sumAvg: 4.41 atom: 687 79K-HG2 G 1.48 ambi=2 { CG:24.9 } atom: 394 51A-HA A 4.21 ambi=1 { CA:54.9 } :: atom: 688 79K-HG3 G 1.52 ambi=2 { CG:24.9 } atom: 394 51A-HA A 4.21 ambi=1 { CA:54.9 } ::sumAvg: 4.71 atom: 394 51A-HA A 4.21 ambi=1 { CA:54.9 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } ::sumAvg: 4.35 atom: 394 51A-HA A 4.21 ambi=1 { CA:54.9 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 4.86 atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } atom: 418 54W-H N 9.27 ambi=1 { N:124 } ::sumAvg: 4.655 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } ::sumAvg: 3.935 atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } ::sumAvg: 3.855 atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } ::sumAvg: 4.955 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } ::sumAvg: 3.02 atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } ::sumAvg: 3.955 atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } atom: 686 79K-HB3 B 2.06 ambi=2 { CB:31.5 } ::sumAvg: 3.835 atom: 686 79K-HB3 B 2.06 ambi=2 { CB:31.5 } atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } ::sumAvg: 3.835 atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } atom: 716 82F-H N 9.62 ambi=1 { N:121.4 } ::sumAvg: 4.755 atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } atom: 724 82F-HZ Z 7.17 ambi=1 { CZ:129.9 } ::sumAvg: 4.905 atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } atom: 732 83L-HA A 3.9 ambi=1 { CA:57 } ::sumAvg: 4.815 atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } atom: 731 83L-H N 8.21 ambi=1 { N:117.4 } ::sumAvg: 4.005 atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } atom: 735 83L-HG G 2.06 ambi=1 { CG:27 } ::sumAvg: 4.48 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 395 51A-HB B 1.63 ambi=1 { CB:18.6 } ::sumAvg: 3.46 atom: 407 53R-HB2 B 2.11 ambi=2 { CB:30.9 } atom: 399 52A-H N 8.41 ambi=1 { N:119.4 } :: atom: 408 53R-HB3 B 1.9 ambi=2 { CB:30.9 } atom: 399 52A-H N 8.41 ambi=1 { N:119.4 } ::sumAvg: 4.855 atom: 409 53R-HG2 G 1.92 ambi=2 { CG:27.8 } atom: 399 52A-H N 8.41 ambi=1 { N:119.4 } :: atom: 410 53R-HG3 G 1.81 ambi=2 { CG:27.8 } atom: 399 52A-H N 8.41 ambi=1 { N:119.4 } ::sumAvg: 4.675 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 399 52A-H N 8.41 ambi=1 { N:119.4 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 399 52A-H N 8.41 ambi=1 { N:119.4 } ::sumAvg: 4.91 atom: 687 79K-HG2 G 1.48 ambi=2 { CG:24.9 } atom: 399 52A-H N 8.41 ambi=1 { N:119.4 } :: atom: 688 79K-HG3 G 1.52 ambi=2 { CG:24.9 } atom: 399 52A-H N 8.41 ambi=1 { N:119.4 } ::sumAvg: 4.515 atom: 691 79K-QE E 2.99 ambi=2 { CE:41.9 } atom: 399 52A-H N 8.41 ambi=1 { N:119.4 } ::sumAvg: 4.31 atom: 400 52A-HA A 4.21 ambi=1 { CA:55.1 } atom: 443 56E-H N 7.46 ambi=1 { N:114.8 } ::sumAvg: 4.275 atom: 685 79K-HB2 B 1.92 ambi=2 { CB:31.5 } atom: 400 52A-HA A 4.21 ambi=1 { CA:55.1 } :: atom: 686 79K-HB3 B 2.06 ambi=2 { CB:31.5 } atom: 400 52A-HA A 4.21 ambi=1 { CA:55.1 } ::sumAvg: 4.93 atom: 687 79K-HG2 G 1.48 ambi=2 { CG:24.9 } atom: 400 52A-HA A 4.21 ambi=1 { CA:55.1 } :: atom: 688 79K-HG3 G 1.52 ambi=2 { CG:24.9 } atom: 400 52A-HA A 4.21 ambi=1 { CA:55.1 } ::sumAvg: 3.22 atom: 400 52A-HA A 4.21 ambi=1 { CA:55.1 } atom: 689 79K-HD2 D 1.68 ambi=2 { CD:29.3 } :: atom: 400 52A-HA A 4.21 ambi=1 { CA:55.1 } atom: 690 79K-HD3 D 1.72 ambi=2 { CD:29.3 } ::sumAvg: 3.47 atom: 689 79K-HD2 D 1.68 ambi=2 { CD:29.3 } atom: 400 52A-HA A 4.21 ambi=1 { CA:55.1 } :: atom: 690 79K-HD3 D 1.72 ambi=2 { CD:29.3 } atom: 400 52A-HA A 4.21 ambi=1 { CA:55.1 } ::sumAvg: 3.47 atom: 400 52A-HA A 4.21 ambi=1 { CA:55.1 } atom: 691 79K-QE E 2.99 ambi=2 { CE:41.9 } ::sumAvg: 2.655 atom: 691 79K-QE E 2.99 ambi=2 { CE:41.9 } atom: 400 52A-HA A 4.21 ambi=1 { CA:55.1 } ::sumAvg: 2.655 atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } atom: 406 53R-HA A 4.13 ambi=1 { CA:59.1 } ::sumAvg: 3.8 atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } atom: 407 53R-HB2 B 2.11 ambi=2 { CB:30.9 } ::sumAvg: 4.325 atom: 407 53R-HB2 B 2.11 ambi=2 { CB:30.9 } atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } ::sumAvg: 4.325 atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } atom: 411 53R-QD D 3.27 ambi=2 { CD:43.5 } ::sumAvg: 4.23 atom: 411 53R-QD D 3.27 ambi=2 { CD:43.5 } atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } ::sumAvg: 4.23 atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } atom: 418 54W-H N 9.27 ambi=1 { N:124 } ::sumAvg: 4.41 atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } atom: 445 56E-HB2 B 2.04 ambi=2 { CB:29.5 } :: atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } atom: 446 56E-HB3 B 2.1 ambi=2 { CB:29.5 } ::sumAvg: 4.915 atom: 445 56E-HB2 B 2.04 ambi=2 { CB:29.5 } atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } :: atom: 446 56E-HB3 B 2.1 ambi=2 { CB:29.5 } atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } ::sumAvg: 4.915 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 401 52A-HB B 1.59 ambi=1 { CB:18.4 } ::sumAvg: 4.92 atom: 439 55A-HB B 1.52 ambi=1 { CB:17.5 } atom: 405 53R-H N 8.07 ambi=1 { N:119.5 } ::sumAvg: 4.94 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 405 53R-H N 8.07 ambi=1 { N:119.5 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 405 53R-H N 8.07 ambi=1 { N:119.5 } ::sumAvg: 4.69 atom: 439 55A-HB B 1.52 ambi=1 { CB:17.5 } atom: 406 53R-HA A 4.13 ambi=1 { CA:59.1 } ::sumAvg: 4.995 atom: 407 53R-HB2 B 2.11 ambi=2 { CB:30.9 } atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } :: atom: 408 53R-HB3 B 1.9 ambi=2 { CB:30.9 } atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } ::sumAvg: 4.435 atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } atom: 407 53R-HB2 B 2.11 ambi=2 { CB:30.9 } :: atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } atom: 408 53R-HB3 B 1.9 ambi=2 { CB:30.9 } ::sumAvg: 4.435 atom: 407 53R-HB2 B 2.11 ambi=2 { CB:30.9 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } :: atom: 407 53R-HB2 B 2.11 ambi=2 { CB:30.9 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } :: atom: 408 53R-HB3 B 1.9 ambi=2 { CB:30.9 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } :: atom: 408 53R-HB3 B 1.9 ambi=2 { CB:30.9 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } ::sumAvg: 4.705 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 407 53R-HB2 B 2.11 ambi=2 { CB:30.9 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 407 53R-HB2 B 2.11 ambi=2 { CB:30.9 } :: atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 408 53R-HB3 B 1.9 ambi=2 { CB:30.9 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 408 53R-HB3 B 1.9 ambi=2 { CB:30.9 } ::sumAvg: 4.705 atom: 407 53R-HB2 B 2.11 ambi=2 { CB:30.9 } atom: 453 57G-H N 7.65 ambi=1 { N:106 } :: atom: 408 53R-HB3 B 1.9 ambi=2 { CB:30.9 } atom: 453 57G-H N 7.65 ambi=1 { N:106 } ::sumAvg: 4.98 atom: 445 56E-HB2 B 2.04 ambi=2 { CB:29.5 } atom: 411 53R-QD D 3.27 ambi=2 { CD:43.5 } :: atom: 446 56E-HB3 B 2.1 ambi=2 { CB:29.5 } atom: 411 53R-QD D 3.27 ambi=2 { CD:43.5 } ::sumAvg: 4.88 atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } atom: 438 55A-HA A 3.22 ambi=1 { CA:55.1 } ::sumAvg: 4.765 atom: 438 55A-HA A 3.22 ambi=1 { CA:55.1 } atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } ::sumAvg: 4.765 atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } ::sumAvg: 4.68 atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } atom: 443 56E-H N 7.46 ambi=1 { N:114.8 } ::sumAvg: 4.45 atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } ::sumAvg: 4.345 atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } ::sumAvg: 4.345 atom: 419 54W-HA A 3.83 ambi=1 { CA:62.4 } atom: 458 58A-H N 8.95 ambi=1 { N:127.4 } ::sumAvg: 4.01 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 439 55A-HB B 1.52 ambi=1 { CB:17.5 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 439 55A-HB B 1.52 ambi=1 { CB:17.5 } ::sumAvg: 3.895 atom: 439 55A-HB B 1.52 ambi=1 { CB:17.5 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } :: atom: 439 55A-HB B 1.52 ambi=1 { CB:17.5 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } ::sumAvg: 3.895 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } ::sumAvg: 4.79 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } ::sumAvg: 2.53 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } ::sumAvg: 4.895 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } ::sumAvg: 2.49 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 443 56E-H N 7.46 ambi=1 { N:114.8 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 443 56E-H N 7.46 ambi=1 { N:114.8 } ::sumAvg: 4.945 atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 4.93 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 420 54W-HB2 B 3.07 ambi=2 { CB:29.2 } :: atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 421 54W-HB3 B 3.44 ambi=2 { CB:29.2 } ::sumAvg: 4.93 atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } ::sumAvg: 4.505 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } ::sumAvg: 4.105 atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } atom: 422 54W-HD1 D1 6.76 ambi=1 { CD1:125.5 } ::sumAvg: 4.76 atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } ::sumAvg: 3.885 atom: 1021 110L-HA A 3.9 ambi=1 { CA:58.5 } atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } ::sumAvg: 4.12 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } ::sumAvg: 2.855 atom: 1050 113V-HB B 2.52 ambi=1 { CB:31 } atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } ::sumAvg: 3.975 atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } atom: 423 54W-HE1 E1 9.82 ambi=1 { NE1:128.4 } ::sumAvg: 4.08 atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } ::sumAvg: 4.56 atom: 684 79K-HA A 3.78 ambi=1 { CA:61.8 } atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } ::sumAvg: 4.015 atom: 687 79K-HG2 G 1.48 ambi=2 { CG:24.9 } atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } :: atom: 688 79K-HG3 G 1.52 ambi=2 { CG:24.9 } atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } ::sumAvg: 4.66 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 424 54W-HE3 E3 7.49 ambi=1 { CE3:120.2 } ::sumAvg: 4.685 atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } atom: 425 54W-HZ2 Z2 6.99 ambi=1 { CZ2:112.5 } :: atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } atom: 425 54W-HZ2 Z2 6.99 ambi=1 { CZ2:112.5 } ::sumAvg: 4.935 atom: 1021 110L-HA A 3.9 ambi=1 { CA:58.5 } atom: 425 54W-HZ2 Z2 6.99 ambi=1 { CZ2:112.5 } ::sumAvg: 3.225 atom: 1024 110L-HG G 1.63 ambi=1 { CG:26.5 } atom: 425 54W-HZ2 Z2 6.99 ambi=1 { CZ2:112.5 } ::sumAvg: 4.345 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 425 54W-HZ2 Z2 6.99 ambi=1 { CZ2:112.5 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 425 54W-HZ2 Z2 6.99 ambi=1 { CZ2:112.5 } ::sumAvg: 2.47 atom: 438 55A-HA A 3.22 ambi=1 { CA:55.1 } atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } ::sumAvg: 3.55 atom: 645 75I-HA A 3.78 ambi=1 { CA:64.1 } atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } ::sumAvg: 3.07 atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } :: atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } ::sumAvg: 4.53 atom: 658 76E-HA A 3.97 ambi=1 { CA:59.2 } atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } ::sumAvg: 4.955 atom: 684 79K-HA A 3.78 ambi=1 { CA:61.8 } atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } ::sumAvg: 3.96 atom: 685 79K-HB2 B 1.92 ambi=2 { CB:31.5 } atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } :: atom: 686 79K-HB3 B 2.06 ambi=2 { CB:31.5 } atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } ::sumAvg: 3.575 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 426 54W-HZ3 Z3 7.02 ambi=1 { CZ3:120.3 } ::sumAvg: 4.545 atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } ::sumAvg: 4.06 atom: 645 75I-HA A 3.78 ambi=1 { CA:64.1 } atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } ::sumAvg: 2.73 atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } :: atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } ::sumAvg: 3.835 atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } ::sumAvg: 4.62 atom: 1021 110L-HA A 3.9 ambi=1 { CA:58.5 } atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } ::sumAvg: 4.79 atom: 1024 110L-HG G 1.63 ambi=1 { CG:26.5 } atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } ::sumAvg: 4.845 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 427 54W-HH2 H2 6.74 ambi=1 { CH2:121.7 } ::sumAvg: 3.675 atom: 445 56E-HB2 B 2.04 ambi=2 { CB:29.5 } atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } :: atom: 446 56E-HB3 B 2.1 ambi=2 { CB:29.5 } atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } ::sumAvg: 4.705 atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } ::sumAvg: 4.405 atom: 685 79K-HB2 B 1.92 ambi=2 { CB:31.5 } atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } :: atom: 686 79K-HB3 B 2.06 ambi=2 { CB:31.5 } atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } ::sumAvg: 4.9 atom: 687 79K-HG2 G 1.48 ambi=2 { CG:24.9 } atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } :: atom: 688 79K-HG3 G 1.52 ambi=2 { CG:24.9 } atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } ::sumAvg: 4.77 atom: 689 79K-HD2 D 1.68 ambi=2 { CD:29.3 } atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } :: atom: 690 79K-HD3 D 1.72 ambi=2 { CD:29.3 } atom: 437 55A-H N 8.81 ambi=1 { N:120.8 } ::sumAvg: 4.85 atom: 445 56E-HB2 B 2.04 ambi=2 { CB:29.5 } atom: 458 58A-H N 8.95 ambi=1 { N:127.4 } :: atom: 446 56E-HB3 B 2.1 ambi=2 { CB:29.5 } atom: 458 58A-H N 8.95 ambi=1 { N:127.4 } ::sumAvg: 4.805 atom: 444 56E-HA A 3.88 ambi=1 { CA:59.2 } atom: 458 58A-H N 8.95 ambi=1 { N:127.4 } ::sumAvg: 4.51 atom: 444 56E-HA A 3.88 ambi=1 { CA:59.2 } atom: 477 60E-H N 7.31 ambi=1 { N:119 } ::sumAvg: 4.475 atom: 454 57G-HA2 A 3.49 ambi=2 { CA:47.1 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } :: atom: 455 57G-HA3 A 3.85 ambi=2 { CA:47.1 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } ::sumAvg: 4.42 atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } atom: 454 57G-HA2 A 3.49 ambi=2 { CA:47.1 } :: atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } atom: 455 57G-HA3 A 3.85 ambi=2 { CA:47.1 } ::sumAvg: 4.42 atom: 454 57G-HA2 A 3.49 ambi=2 { CA:47.1 } atom: 464 59L-H N 8.37 ambi=1 { N:116.8 } :: atom: 455 57G-HA3 A 3.85 ambi=2 { CA:47.1 } atom: 464 59L-H N 8.37 ambi=1 { N:116.8 } ::sumAvg: 4.29 atom: 454 57G-HA2 A 3.49 ambi=2 { CA:47.1 } atom: 481 60E-QG G 2.29 ambi=2 { CG:35.6 } :: atom: 455 57G-HA3 A 3.85 ambi=2 { CA:47.1 } atom: 481 60E-QG G 2.29 ambi=2 { CG:35.6 } ::sumAvg: 3.595 atom: 459 58A-HA A 3.64 ambi=1 { CA:54.5 } atom: 464 59L-H N 8.37 ambi=1 { N:116.8 } ::sumAvg: 3.515 atom: 459 58A-HA A 3.64 ambi=1 { CA:54.5 } atom: 477 60E-H N 7.31 ambi=1 { N:119 } ::sumAvg: 4.23 atom: 459 58A-HA A 3.64 ambi=1 { CA:54.5 } atom: 491 61L-HG G 1.44 ambi=1 { CG:26.6 } ::sumAvg: 4.43 atom: 459 58A-HA A 3.64 ambi=1 { CA:54.5 } atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } :: atom: 459 58A-HA A 3.64 ambi=1 { CA:54.5 } atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } ::sumAvg: 2.9 atom: 459 58A-HA A 3.64 ambi=1 { CA:54.5 } atom: 500 62I-H N 7.51 ambi=1 { N:110.7 } ::sumAvg: 4.685 atom: 459 58A-HA A 3.64 ambi=1 { CA:54.5 } atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } ::sumAvg: 4.835 atom: 459 58A-HA A 3.64 ambi=1 { CA:54.5 } atom: 1051 113V-HG1 G1 0.98 ambi=2 { CG1:20.7 } :: atom: 459 58A-HA A 3.64 ambi=1 { CA:54.5 } atom: 1052 113V-HG2 G2 1.2 ambi=2 { CG2:24.7 } ::sumAvg: 3.935 atom: 459 58A-HA A 3.64 ambi=1 { CA:54.5 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } ::sumAvg: 4.225 atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } atom: 465 59L-HA A 3.92 ambi=1 { CA:57.3 } ::sumAvg: 3.94 atom: 465 59L-HA A 3.92 ambi=1 { CA:57.3 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } ::sumAvg: 3.94 atom: 466 59L-HB2 B 1.86 ambi=2 { CB:40.8 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } :: atom: 467 59L-HB3 B 1.31 ambi=2 { CB:40.8 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } ::sumAvg: 4.075 atom: 469 59L-HD1 D1 0.83 ambi=2 { CD1:25.2 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } :: atom: 470 59L-HD2 D2 0.84 ambi=2 { CD2:23.4 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } ::sumAvg: 4.48 atom: 468 59L-HG G 1.82 ambi=1 { CG:27 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } ::sumAvg: 4.69 atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } atom: 645 75I-HA A 3.78 ambi=1 { CA:64.1 } ::sumAvg: 4.45 atom: 645 75I-HA A 3.78 ambi=1 { CA:64.1 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } ::sumAvg: 4.45 atom: 646 75I-HB B 2.11 ambi=1 { CB:36.8 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } ::sumAvg: 4.35 atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } atom: 477 60E-H N 7.31 ambi=1 { N:119 } ::sumAvg: 4.5 atom: 489 61L-HB2 B 2.04 ambi=2 { CB:41.4 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } :: atom: 490 61L-HB3 B 1.38 ambi=2 { CB:41.4 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } ::sumAvg: 4.04 atom: 505 62I-HG2 G2 0.84 ambi=1 { CG2:17.6 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } ::sumAvg: 4.985 atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } :: atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } ::sumAvg: 2.725 atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } atom: 460 58A-HB B 0.34 ambi=1 { CB:16.7 } ::sumAvg: 3.795 atom: 466 59L-HB2 B 1.86 ambi=2 { CB:40.8 } atom: 458 58A-H N 8.95 ambi=1 { N:127.4 } :: atom: 467 59L-HB3 B 1.31 ambi=2 { CB:40.8 } atom: 458 58A-H N 8.95 ambi=1 { N:127.4 } ::sumAvg: 4.55 atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } atom: 458 58A-H N 8.95 ambi=1 { N:127.4 } ::sumAvg: 4.225 atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } atom: 458 58A-H N 8.95 ambi=1 { N:127.4 } ::sumAvg: 4.575 atom: 489 61L-HB2 B 2.04 ambi=2 { CB:41.4 } atom: 464 59L-H N 8.37 ambi=1 { N:116.8 } :: atom: 490 61L-HB3 B 1.38 ambi=2 { CB:41.4 } atom: 464 59L-H N 8.37 ambi=1 { N:116.8 } ::sumAvg: 4.94 atom: 489 61L-HB2 B 2.04 ambi=2 { CB:41.4 } atom: 465 59L-HA A 3.92 ambi=1 { CA:57.3 } :: atom: 490 61L-HB3 B 1.38 ambi=2 { CB:41.4 } atom: 465 59L-HA A 3.92 ambi=1 { CA:57.3 } ::sumAvg: 4.8 atom: 608 72K-HB2 B 1.77 ambi=2 { CB:32.8 } atom: 465 59L-HA A 3.92 ambi=1 { CA:57.3 } :: atom: 609 72K-HB3 B 1.85 ambi=2 { CB:32.8 } atom: 465 59L-HA A 3.92 ambi=1 { CA:57.3 } ::sumAvg: 4.86 atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } atom: 465 59L-HA A 3.92 ambi=1 { CA:57.3 } ::sumAvg: 4.775 atom: 465 59L-HA A 3.92 ambi=1 { CA:57.3 } atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } ::sumAvg: 3.92 atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } atom: 465 59L-HA A 3.92 ambi=1 { CA:57.3 } :: atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } atom: 465 59L-HA A 3.92 ambi=1 { CA:57.3 } ::sumAvg: 4.78 atom: 465 59L-HA A 3.92 ambi=1 { CA:57.3 } atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } ::sumAvg: 3.46 atom: 466 59L-HB2 B 1.86 ambi=2 { CB:40.8 } atom: 478 60E-HA A 4.03 ambi=1 { CA:58.8 } :: atom: 467 59L-HB3 B 1.31 ambi=2 { CB:40.8 } atom: 478 60E-HA A 4.03 ambi=1 { CA:58.8 } ::sumAvg: 4.395 atom: 467 59L-HB3 B 1.31 ambi=2 { CB:40.8 } atom: 479 60E-HB2 B 2.04 ambi=2 { CB:28.9 } :: atom: 467 59L-HB3 B 1.31 ambi=2 { CB:40.8 } atom: 480 60E-HB3 B 2.08 ambi=2 { CB:28.9 } ::sumAvg: 4.835 atom: 479 60E-HB2 B 2.04 ambi=2 { CB:28.9 } atom: 467 59L-HB3 B 1.31 ambi=2 { CB:40.8 } :: atom: 480 60E-HB3 B 2.08 ambi=2 { CB:28.9 } atom: 467 59L-HB3 B 1.31 ambi=2 { CB:40.8 } ::sumAvg: 4.835 atom: 466 59L-HB2 B 1.86 ambi=2 { CB:40.8 } atom: 481 60E-QG G 2.29 ambi=2 { CG:35.6 } :: atom: 467 59L-HB3 B 1.31 ambi=2 { CB:40.8 } atom: 481 60E-QG G 2.29 ambi=2 { CG:35.6 } ::sumAvg: 4.69 atom: 466 59L-HB2 B 1.86 ambi=2 { CB:40.8 } atom: 487 61L-H N 7.7 ambi=1 { N:120.8 } :: atom: 467 59L-HB3 B 1.31 ambi=2 { CB:40.8 } atom: 487 61L-H N 7.7 ambi=1 { N:120.8 } ::sumAvg: 4.97 atom: 466 59L-HB2 B 1.86 ambi=2 { CB:40.8 } atom: 506 62I-HD1 D1 0.7 ambi=1 { CD1:14 } :: atom: 467 59L-HB3 B 1.31 ambi=2 { CB:40.8 } atom: 506 62I-HD1 D1 0.7 ambi=1 { CD1:14 } ::sumAvg: 4.43 atom: 466 59L-HB2 B 1.86 ambi=2 { CB:40.8 } atom: 521 63K-QE E 2.9 ambi=2 {attached_atom is not_assigned} :: atom: 467 59L-HB3 B 1.31 ambi=2 { CB:40.8 } atom: 521 63K-QE E 2.9 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.89 atom: 466 59L-HB2 B 1.86 ambi=2 { CB:40.8 } atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } :: atom: 467 59L-HB3 B 1.31 ambi=2 { CB:40.8 } atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } ::sumAvg: 3.575 atom: 466 59L-HB2 B 1.86 ambi=2 { CB:40.8 } atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } :: atom: 467 59L-HB3 B 1.31 ambi=2 { CB:40.8 } atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } ::sumAvg: 4.13 atom: 478 60E-HA A 4.03 ambi=1 { CA:58.8 } atom: 469 59L-HD1 D1 0.83 ambi=2 { CD1:25.2 } :: atom: 478 60E-HA A 4.03 ambi=1 { CA:58.8 } atom: 470 59L-HD2 D2 0.84 ambi=2 { CD2:23.4 } ::sumAvg: 4.34 atom: 469 59L-HD1 D1 0.83 ambi=2 { CD1:25.2 } atom: 502 62I-HB B 1.99 ambi=1 { CB:37.2 } :: atom: 470 59L-HD2 D2 0.84 ambi=2 { CD2:23.4 } atom: 502 62I-HB B 1.99 ambi=1 { CB:37.2 } ::sumAvg: 3.97 atom: 469 59L-HD1 D1 0.83 ambi=2 { CD1:25.2 } atom: 515 63K-QB B 1.95 ambi=2 { CB:32.8 } :: atom: 470 59L-HD2 D2 0.84 ambi=2 { CD2:23.4 } atom: 515 63K-QB B 1.95 ambi=2 { CB:32.8 } ::sumAvg: 4.435 atom: 517 63K-HG2 G 1.34 ambi=2 { CG:24.7 } atom: 469 59L-HD1 D1 0.83 ambi=2 { CD1:25.2 } :: atom: 518 63K-HG3 G 1.59 ambi=2 { CG:24.7 } atom: 469 59L-HD1 D1 0.83 ambi=2 { CD1:25.2 } :: atom: 517 63K-HG2 G 1.34 ambi=2 { CG:24.7 } atom: 470 59L-HD2 D2 0.84 ambi=2 { CD2:23.4 } :: atom: 518 63K-HG3 G 1.59 ambi=2 { CG:24.7 } atom: 470 59L-HD2 D2 0.84 ambi=2 { CD2:23.4 } ::sumAvg: 4.59 atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } atom: 469 59L-HD1 D1 0.83 ambi=2 { CD1:25.2 } :: atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } atom: 470 59L-HD2 D2 0.84 ambi=2 { CD2:23.4 } ::sumAvg: 3.06 atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } atom: 469 59L-HD1 D1 0.83 ambi=2 { CD1:25.2 } :: atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } atom: 470 59L-HD2 D2 0.84 ambi=2 { CD2:23.4 } ::sumAvg: 2.93 atom: 614 72K-QE E 2.95 ambi=2 { CE:41.8 } atom: 469 59L-HD1 D1 0.83 ambi=2 { CD1:25.2 } :: atom: 614 72K-QE E 2.95 ambi=2 { CE:41.8 } atom: 470 59L-HD2 D2 0.84 ambi=2 { CD2:23.4 } ::sumAvg: 3.6 atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } atom: 469 59L-HD1 D1 0.83 ambi=2 { CD1:25.2 } :: atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } atom: 470 59L-HD2 D2 0.84 ambi=2 { CD2:23.4 } ::sumAvg: 4.385 atom: 468 59L-HG G 1.82 ambi=1 { CG:27 } atom: 506 62I-HD1 D1 0.7 ambi=1 { CD1:14 } ::sumAvg: 4.265 atom: 468 59L-HG G 1.82 ambi=1 { CG:27 } atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } ::sumAvg: 4.55 atom: 468 59L-HG G 1.82 ambi=1 { CG:27 } atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } ::sumAvg: 3.875 atom: 468 59L-HG G 1.82 ambi=1 { CG:27 } atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } ::sumAvg: 3.415 atom: 645 75I-HA A 3.78 ambi=1 { CA:64.1 } atom: 667 77A-H N 7.39 ambi=1 { N:118.6 } ::sumAvg: 4.325 atom: 645 75I-HA A 3.78 ambi=1 { CA:64.1 } atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } ::sumAvg: 4.795 atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } atom: 645 75I-HA A 3.78 ambi=1 { CA:64.1 } ::sumAvg: 4.795 atom: 645 75I-HA A 3.78 ambi=1 { CA:64.1 } atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } ::sumAvg: 3.02 atom: 645 75I-HA A 3.78 ambi=1 { CA:64.1 } atom: 683 79K-H N 8.57 ambi=1 { N:119.5 } ::sumAvg: 4.45 atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } atom: 645 75I-HA A 3.78 ambi=1 { CA:64.1 } ::sumAvg: 3.78 atom: 646 75I-HB B 2.11 ambi=1 { CB:36.8 } atom: 667 77A-H N 7.39 ambi=1 { N:118.6 } ::sumAvg: 4.895 atom: 489 61L-HB2 B 2.04 ambi=2 { CB:41.4 } atom: 477 60E-H N 7.31 ambi=1 { N:119 } :: atom: 490 61L-HB3 B 1.38 ambi=2 { CB:41.4 } atom: 477 60E-H N 7.31 ambi=1 { N:119 } ::sumAvg: 4.61 atom: 515 63K-QB B 1.95 ambi=2 { CB:32.8 } atom: 477 60E-H N 7.31 ambi=1 { N:119 } ::sumAvg: 4.81 atom: 519 63K-HD2 D 1.64 ambi=2 { CD:29.6 } atom: 477 60E-H N 7.31 ambi=1 { N:119 } :: atom: 520 63K-HD3 D 1.66 ambi=2 { CD:29.6 } atom: 477 60E-H N 7.31 ambi=1 { N:119 } ::sumAvg: 4.99 atom: 479 60E-HB2 B 2.04 ambi=2 { CB:28.9 } atom: 490 61L-HB3 B 1.38 ambi=2 { CB:41.4 } :: atom: 480 60E-HB3 B 2.08 ambi=2 { CB:28.9 } atom: 490 61L-HB3 B 1.38 ambi=2 { CB:41.4 } ::sumAvg: 4.54 atom: 479 60E-HB2 B 2.04 ambi=2 { CB:28.9 } atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } :: atom: 479 60E-HB2 B 2.04 ambi=2 { CB:28.9 } atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } :: atom: 480 60E-HB3 B 2.08 ambi=2 { CB:28.9 } atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } :: atom: 480 60E-HB3 B 2.08 ambi=2 { CB:28.9 } atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } ::sumAvg: 4.375 atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } atom: 479 60E-HB2 B 2.04 ambi=2 { CB:28.9 } :: atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } atom: 479 60E-HB2 B 2.04 ambi=2 { CB:28.9 } :: atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } atom: 480 60E-HB3 B 2.08 ambi=2 { CB:28.9 } :: atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } atom: 480 60E-HB3 B 2.08 ambi=2 { CB:28.9 } ::sumAvg: 4.375 atom: 479 60E-HB2 B 2.04 ambi=2 { CB:28.9 } atom: 519 63K-HD2 D 1.64 ambi=2 { CD:29.6 } :: atom: 480 60E-HB3 B 2.08 ambi=2 { CB:28.9 } atom: 519 63K-HD2 D 1.64 ambi=2 { CD:29.6 } :: atom: 480 60E-HB3 B 2.08 ambi=2 { CB:28.9 } atom: 520 63K-HD3 D 1.66 ambi=2 { CD:29.6 } ::sumAvg: 4.73 atom: 479 60E-HB2 B 2.04 ambi=2 { CB:28.9 } atom: 531 64V-HG1 G1 0.94 ambi=2 { CG1:21 } :: atom: 479 60E-HB2 B 2.04 ambi=2 { CB:28.9 } atom: 532 64V-HG2 G2 1.02 ambi=2 { CG2:21.1 } :: atom: 480 60E-HB3 B 2.08 ambi=2 { CB:28.9 } atom: 531 64V-HG1 G1 0.94 ambi=2 { CG1:21 } :: atom: 480 60E-HB3 B 2.08 ambi=2 { CB:28.9 } atom: 532 64V-HG2 G2 1.02 ambi=2 { CG2:21.1 } ::sumAvg: 3.585 atom: 519 63K-HD2 D 1.64 ambi=2 { CD:29.6 } atom: 481 60E-QG G 2.29 ambi=2 { CG:35.6 } :: atom: 520 63K-HD3 D 1.66 ambi=2 { CD:29.6 } atom: 481 60E-QG G 2.29 ambi=2 { CG:35.6 } ::sumAvg: 3.745 atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } atom: 487 61L-H N 7.7 ambi=1 { N:120.8 } :: atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } atom: 487 61L-H N 7.7 ambi=1 { N:120.8 } ::sumAvg: 3.325 atom: 531 64V-HG1 G1 0.94 ambi=2 { CG1:21 } atom: 487 61L-H N 7.7 ambi=1 { N:120.8 } :: atom: 532 64V-HG2 G2 1.02 ambi=2 { CG2:21.1 } atom: 487 61L-H N 7.7 ambi=1 { N:120.8 } ::sumAvg: 4.59 atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } atom: 488 61L-HA A 4 ambi=1 { CA:58.1 } :: atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } atom: 488 61L-HA A 4 ambi=1 { CA:58.1 } ::sumAvg: 1.96 atom: 488 61L-HA A 4 ambi=1 { CA:58.1 } atom: 540 65R-QB B 1.85 ambi=2 { CB:31.5 } ::sumAvg: 4.29 atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } atom: 489 61L-HB2 B 2.04 ambi=2 { CB:41.4 } :: atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } atom: 489 61L-HB2 B 2.04 ambi=2 { CB:41.4 } :: atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } atom: 490 61L-HB3 B 1.38 ambi=2 { CB:41.4 } :: atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } atom: 490 61L-HB3 B 1.38 ambi=2 { CB:41.4 } ::sumAvg: 2.315 atom: 489 61L-HB2 B 2.04 ambi=2 { CB:41.4 } atom: 503 62I-QG1 G1 1.33 ambi=2 { CG1:27.4 } ::sumAvg: 4.56 atom: 503 62I-QG1 G1 1.33 ambi=2 { CG1:27.4 } atom: 489 61L-HB2 B 2.04 ambi=2 { CB:41.4 } ::sumAvg: 4.56 atom: 489 61L-HB2 B 2.04 ambi=2 { CB:41.4 } atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } :: atom: 490 61L-HB3 B 1.38 ambi=2 { CB:41.4 } atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } ::sumAvg: 4.245 atom: 489 61L-HB2 B 2.04 ambi=2 { CB:41.4 } atom: 1051 113V-HG1 G1 0.98 ambi=2 { CG1:20.7 } :: atom: 489 61L-HB2 B 2.04 ambi=2 { CB:41.4 } atom: 1052 113V-HG2 G2 1.2 ambi=2 { CG2:24.7 } :: atom: 490 61L-HB3 B 1.38 ambi=2 { CB:41.4 } atom: 1051 113V-HG1 G1 0.98 ambi=2 { CG1:20.7 } ::sumAvg: 4.955 atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } atom: 500 62I-H N 7.51 ambi=1 { N:110.7 } :: atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } atom: 500 62I-H N 7.51 ambi=1 { N:110.7 } ::sumAvg: 4.375 atom: 530 64V-HB B 2.15 ambi=1 { CB:32.4 } atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } :: atom: 530 64V-HB B 2.15 ambi=1 { CB:32.4 } atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } ::sumAvg: 4.175 atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } atom: 538 65R-H N 7.98 ambi=1 { N:118.3 } :: atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } atom: 538 65R-H N 7.98 ambi=1 { N:118.3 } ::sumAvg: 4.44 atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } atom: 540 65R-QB B 1.85 ambi=2 { CB:31.5 } :: atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } atom: 540 65R-QB B 1.85 ambi=2 { CB:31.5 } ::sumAvg: 4.065 atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } atom: 1049 113V-HA A 3.54 ambi=1 { CA:67.2 } :: atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } atom: 1049 113V-HA A 3.54 ambi=1 { CA:67.2 } ::sumAvg: 4.555 atom: 1049 113V-HA A 3.54 ambi=1 { CA:67.2 } atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } :: atom: 1049 113V-HA A 3.54 ambi=1 { CA:67.2 } atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } ::sumAvg: 4.555 atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } atom: 1052 113V-HG2 G2 1.2 ambi=2 { CG2:24.7 } ::sumAvg: 3.325 atom: 1052 113V-HG2 G2 1.2 ambi=2 { CG2:24.7 } atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } ::sumAvg: 3.325 atom: 1083 116E-HB2 B 2.12 ambi=2 { CB:29 } atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } :: atom: 1084 116E-HB3 B 2.17 ambi=2 { CB:29 } atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } :: atom: 1083 116E-HB2 B 2.12 ambi=2 { CB:29 } atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } :: atom: 1084 116E-HB3 B 2.17 ambi=2 { CB:29 } atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } ::sumAvg: 3.525 atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } atom: 1085 116E-HG2 G 2.25 ambi=2 { CG:35.8 } :: atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } atom: 1086 116E-HG3 G 2.35 ambi=2 { CG:35.8 } :: atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } atom: 1085 116E-HG2 G 2.25 ambi=2 { CG:35.8 } :: atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } atom: 1086 116E-HG3 G 2.35 ambi=2 { CG:35.8 } ::sumAvg: 4.32 atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } atom: 1091 117I-H N 8.37 ambi=1 { N:119.7 } :: atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } atom: 1091 117I-H N 8.37 ambi=1 { N:119.7 } ::sumAvg: 3.865 atom: 1125 120E-HB2 B 1.97 ambi=2 { CB:30.1 } atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } :: atom: 1126 120E-HB3 B 2.11 ambi=2 { CB:30.1 } atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } :: atom: 1125 120E-HB2 B 1.97 ambi=2 { CB:30.1 } atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } :: atom: 1126 120E-HB3 B 2.11 ambi=2 { CB:30.1 } atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } ::sumAvg: 3.78 atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } atom: 1127 120E-HG2 G 2.28 ambi=2 { CG:36 } :: atom: 492 61L-HD1 D1 0.85 ambi=2 { CD1:26.1 } atom: 1128 120E-HG3 G 2.31 ambi=2 { CG:36 } :: atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } atom: 1127 120E-HG2 G 2.28 ambi=2 { CG:36 } :: atom: 493 61L-HD2 D2 0.72 ambi=2 { CD2:23.8 } atom: 1128 120E-HG3 G 2.31 ambi=2 { CG:36 } ::sumAvg: 4.265 atom: 501 62I-HA A 4.04 ambi=1 { CA:63.2 } atom: 528 64V-H N 7.63 ambi=1 { N:115.2 } ::sumAvg: 4.545 atom: 501 62I-HA A 4.04 ambi=1 { CA:63.2 } atom: 538 65R-H N 7.98 ambi=1 { N:118.3 } ::sumAvg: 3.625 atom: 501 62I-HA A 4.04 ambi=1 { CA:63.2 } atom: 540 65R-QB B 1.85 ambi=2 { CB:31.5 } ::sumAvg: 3.955 atom: 502 62I-HB B 1.99 ambi=1 { CB:37.2 } atom: 551 66R-HA A 4.34 ambi=1 { CA:54.9 } ::sumAvg: 4.89 atom: 551 66R-HA A 4.34 ambi=1 { CA:54.9 } atom: 502 62I-HB B 1.99 ambi=1 { CB:37.2 } ::sumAvg: 4.89 atom: 558 67P-HD2 D 3.77 ambi=2 { CD:50.8 } atom: 502 62I-HB B 1.99 ambi=1 { CB:37.2 } :: atom: 559 67P-HD3 D 3.9 ambi=2 { CD:50.8 } atom: 502 62I-HB B 1.99 ambi=1 { CB:37.2 } ::sumAvg: 3.92 atom: 502 62I-HB B 1.99 ambi=1 { CB:37.2 } atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } ::sumAvg: 4.075 atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } atom: 502 62I-HB B 1.99 ambi=1 { CB:37.2 } ::sumAvg: 4.075 atom: 503 62I-QG1 G1 1.33 ambi=2 { CG1:27.4 } atom: 556 67P-HG2 G 2.08 ambi=2 { CG:27.4 } :: atom: 503 62I-QG1 G1 1.33 ambi=2 { CG1:27.4 } atom: 557 67P-HG3 G 1.76 ambi=2 { CG:27.4 } ::sumAvg: 4.325 atom: 556 67P-HG2 G 2.08 ambi=2 { CG:27.4 } atom: 503 62I-QG1 G1 1.33 ambi=2 { CG1:27.4 } :: atom: 557 67P-HG3 G 1.76 ambi=2 { CG:27.4 } atom: 503 62I-QG1 G1 1.33 ambi=2 { CG1:27.4 } ::sumAvg: 4.325 atom: 558 67P-HD2 D 3.77 ambi=2 { CD:50.8 } atom: 503 62I-QG1 G1 1.33 ambi=2 { CG1:27.4 } :: atom: 559 67P-HD3 D 3.9 ambi=2 { CD:50.8 } atom: 503 62I-QG1 G1 1.33 ambi=2 { CG1:27.4 } ::sumAvg: 3.885 atom: 503 62I-QG1 G1 1.33 ambi=2 { CG1:27.4 } atom: 590 70V-HG1 G1 0.78 ambi=2 { CG1:20.4 } ::sumAvg: 4.705 atom: 503 62I-QG1 G1 1.33 ambi=2 { CG1:27.4 } atom: 608 72K-HB2 B 1.77 ambi=2 { CB:32.8 } :: atom: 503 62I-QG1 G1 1.33 ambi=2 { CG1:27.4 } atom: 609 72K-HB3 B 1.85 ambi=2 { CB:32.8 } ::sumAvg: 4.675 atom: 514 63K-HA A 4.07 ambi=1 { CA:58.6 } atom: 505 62I-HG2 G2 0.84 ambi=1 { CG2:17.6 } ::sumAvg: 4.35 atom: 517 63K-HG2 G 1.34 ambi=2 { CG:24.7 } atom: 505 62I-HG2 G2 0.84 ambi=1 { CG2:17.6 } :: atom: 518 63K-HG3 G 1.59 ambi=2 { CG:24.7 } atom: 505 62I-HG2 G2 0.84 ambi=1 { CG2:17.6 } ::sumAvg: 4.945 atom: 505 62I-HG2 G2 0.84 ambi=1 { CG2:17.6 } atom: 551 66R-HA A 4.34 ambi=1 { CA:54.9 } ::sumAvg: 4.44 atom: 589 70V-HB B 1.82 ambi=1 { CB:34.5 } atom: 505 62I-HG2 G2 0.84 ambi=1 { CG2:17.6 } ::sumAvg: 4.675 atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } atom: 505 62I-HG2 G2 0.84 ambi=1 { CG2:17.6 } ::sumAvg: 4.13 atom: 505 62I-HG2 G2 0.84 ambi=1 { CG2:17.6 } atom: 606 72K-H N 8.4 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.37 atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } atom: 505 62I-HG2 G2 0.84 ambi=1 { CG2:17.6 } ::sumAvg: 4.1 atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } atom: 505 62I-HG2 G2 0.84 ambi=1 { CG2:17.6 } ::sumAvg: 4.415 atom: 646 75I-HB B 2.11 ambi=1 { CB:36.8 } atom: 506 62I-HD1 D1 0.7 ambi=1 { CD1:14 } ::sumAvg: 4.245 atom: 558 67P-HD2 D 3.77 ambi=2 { CD:50.8 } atom: 506 62I-HD1 D1 0.7 ambi=1 { CD1:14 } :: atom: 559 67P-HD3 D 3.9 ambi=2 { CD:50.8 } atom: 506 62I-HD1 D1 0.7 ambi=1 { CD1:14 } ::sumAvg: 4.24 atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } atom: 506 62I-HD1 D1 0.7 ambi=1 { CD1:14 } ::sumAvg: 4.01 atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } atom: 506 62I-HD1 D1 0.7 ambi=1 { CD1:14 } ::sumAvg: 2.745 atom: 608 72K-HB2 B 1.77 ambi=2 { CB:32.8 } atom: 506 62I-HD1 D1 0.7 ambi=1 { CD1:14 } :: atom: 609 72K-HB3 B 1.85 ambi=2 { CB:32.8 } atom: 506 62I-HD1 D1 0.7 ambi=1 { CD1:14 } ::sumAvg: 3.1 atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } atom: 506 62I-HD1 D1 0.7 ambi=1 { CD1:14 } ::sumAvg: 3.185 atom: 506 62I-HD1 D1 0.7 ambi=1 { CD1:14 } atom: 614 72K-QE E 2.95 ambi=2 { CE:41.8 } ::sumAvg: 4.535 atom: 614 72K-QE E 2.95 ambi=2 { CE:41.8 } atom: 506 62I-HD1 D1 0.7 ambi=1 { CD1:14 } ::sumAvg: 4.535 atom: 506 62I-HD1 D1 0.7 ambi=1 { CD1:14 } atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } ::sumAvg: 4.85 atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } atom: 506 62I-HD1 D1 0.7 ambi=1 { CD1:14 } :: atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } atom: 506 62I-HD1 D1 0.7 ambi=1 { CD1:14 } ::sumAvg: 4.16 atom: 515 63K-QB B 1.95 ambi=2 { CB:32.8 } atom: 529 64V-HA A 3.95 ambi=1 { CA:63.9 } ::sumAvg: 4.06 atom: 529 64V-HA A 3.95 ambi=1 { CA:63.9 } atom: 515 63K-QB B 1.95 ambi=2 { CB:32.8 } ::sumAvg: 4.06 atom: 515 63K-QB B 1.95 ambi=2 { CB:32.8 } atom: 538 65R-H N 7.98 ambi=1 { N:118.3 } ::sumAvg: 4.805 atom: 517 63K-HG2 G 1.34 ambi=2 { CG:24.7 } atom: 531 64V-HG1 G1 0.94 ambi=2 { CG1:21 } :: atom: 518 63K-HG3 G 1.59 ambi=2 { CG:24.7 } atom: 531 64V-HG1 G1 0.94 ambi=2 { CG1:21 } :: atom: 518 63K-HG3 G 1.59 ambi=2 { CG:24.7 } atom: 532 64V-HG2 G2 1.02 ambi=2 { CG2:21.1 } ::sumAvg: 4.415 atom: 519 63K-HD2 D 1.64 ambi=2 { CD:29.6 } atom: 528 64V-H N 7.63 ambi=1 { N:115.2 } :: atom: 520 63K-HD3 D 1.66 ambi=2 { CD:29.6 } atom: 528 64V-H N 7.63 ambi=1 { N:115.2 } ::sumAvg: 4.87 atom: 540 65R-QB B 1.85 ambi=2 { CB:31.5 } atom: 528 64V-H N 7.63 ambi=1 { N:115.2 } ::sumAvg: 4.61 atom: 529 64V-HA A 3.95 ambi=1 { CA:63.9 } atom: 539 65R-HA A 4.39 ambi=1 { CA:55.2 } ::sumAvg: 4.61 atom: 539 65R-HA A 4.39 ambi=1 { CA:55.2 } atom: 529 64V-HA A 3.95 ambi=1 { CA:63.9 } ::sumAvg: 4.61 atom: 530 64V-HB B 2.15 ambi=1 { CB:32.4 } atom: 539 65R-HA A 4.39 ambi=1 { CA:55.2 } ::sumAvg: 4.57 atom: 539 65R-HA A 4.39 ambi=1 { CA:55.2 } atom: 530 64V-HB B 2.15 ambi=1 { CB:32.4 } ::sumAvg: 4.57 atom: 531 64V-HG1 G1 0.94 ambi=2 { CG1:21 } atom: 539 65R-HA A 4.39 ambi=1 { CA:55.2 } :: atom: 532 64V-HG2 G2 1.02 ambi=2 { CG2:21.1 } atom: 539 65R-HA A 4.39 ambi=1 { CA:55.2 } ::sumAvg: 3.485 atom: 540 65R-QB B 1.85 ambi=2 { CB:31.5 } atom: 538 65R-H N 7.98 ambi=1 { N:118.3 } ::sumAvg: 2.46 atom: 551 66R-HA A 4.34 ambi=1 { CA:54.9 } atom: 538 65R-H N 7.98 ambi=1 { N:118.3 } ::sumAvg: 4.955 atom: 539 65R-HA A 4.39 ambi=1 { CA:55.2 } atom: 552 66R-QB B 1.79 ambi=2 { CB:29.2 } ::sumAvg: 4.315 atom: 552 66R-QB B 1.79 ambi=2 { CB:29.2 } atom: 539 65R-HA A 4.39 ambi=1 { CA:55.2 } ::sumAvg: 4.315 atom: 540 65R-QB B 1.85 ambi=2 { CB:31.5 } atom: 551 66R-HA A 4.34 ambi=1 { CA:54.9 } ::sumAvg: 4.37 atom: 551 66R-HA A 4.34 ambi=1 { CA:54.9 } atom: 540 65R-QB B 1.85 ambi=2 { CB:31.5 } ::sumAvg: 4.37 atom: 1125 120E-HB2 B 1.97 ambi=2 { CB:30.1 } atom: 542 65R-QG G 1.57 ambi=2 { CG:27.1 } :: atom: 1126 120E-HB3 B 2.11 ambi=2 { CB:30.1 } atom: 542 65R-QG G 1.57 ambi=2 { CG:27.1 } ::sumAvg: 4.75 atom: 552 66R-QB B 1.79 ambi=2 { CB:29.2 } atom: 544 65R-QD D 3.12 ambi=2 { CD:43.1 } ::sumAvg: 4.81 atom: 556 67P-HG2 G 2.08 ambi=2 { CG:27.4 } atom: 551 66R-HA A 4.34 ambi=1 { CA:54.9 } :: atom: 557 67P-HG3 G 1.76 ambi=2 { CG:27.4 } atom: 551 66R-HA A 4.34 ambi=1 { CA:54.9 } ::sumAvg: 4.415 atom: 552 66R-QB B 1.79 ambi=2 { CB:29.2 } atom: 562 68K-HA A 4.1 ambi=1 { CA:57.9 } ::sumAvg: 4.905 atom: 552 66R-QB B 1.79 ambi=2 { CB:29.2 } atom: 565 68K-HG2 G 0.69 ambi=2 { CG:24.8 } :: atom: 552 66R-QB B 1.79 ambi=2 { CB:29.2 } atom: 566 68K-HG3 G 1.03 ambi=2 { CG:24.8 } ::sumAvg: 4.835 atom: 556 67P-HG2 G 2.08 ambi=2 { CG:27.4 } atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } :: atom: 557 67P-HG3 G 1.76 ambi=2 { CG:27.4 } atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } ::sumAvg: 4.86 atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } atom: 556 67P-HG2 G 2.08 ambi=2 { CG:27.4 } :: atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } atom: 557 67P-HG3 G 1.76 ambi=2 { CG:27.4 } ::sumAvg: 4.86 atom: 562 68K-HA A 4.1 ambi=1 { CA:57.9 } atom: 569 68K-QE E 2.82 ambi=2 { CE:41.7 } ::sumAvg: 4.75 atom: 562 68K-HA A 4.1 ambi=1 { CA:57.9 } atom: 576 69Y-HA A 4.76 ambi=1 { CA:57.8 } ::sumAvg: 4.48 atom: 576 69Y-HA A 4.76 ambi=1 { CA:57.8 } atom: 562 68K-HA A 4.1 ambi=1 { CA:57.9 } ::sumAvg: 4.48 atom: 563 68K-HB2 B 1.09 ambi=2 { CB:34.1 } atom: 576 69Y-HA A 4.76 ambi=1 { CA:57.8 } :: atom: 564 68K-HB3 B 1.23 ambi=2 { CB:34.1 } atom: 576 69Y-HA A 4.76 ambi=1 { CA:57.8 } ::sumAvg: 4.88 atom: 576 69Y-HA A 4.76 ambi=1 { CA:57.8 } atom: 563 68K-HB2 B 1.09 ambi=2 { CB:34.1 } :: atom: 576 69Y-HA A 4.76 ambi=1 { CA:57.8 } atom: 564 68K-HB3 B 1.23 ambi=2 { CB:34.1 } ::sumAvg: 4.88 atom: 577 69Y-HB2 B 2.81 ambi=2 { CB:39.6 } atom: 563 68K-HB2 B 1.09 ambi=2 { CB:34.1 } :: atom: 578 69Y-HB3 B 3.44 ambi=2 { CB:39.6 } atom: 563 68K-HB2 B 1.09 ambi=2 { CB:34.1 } :: atom: 577 69Y-HB2 B 2.81 ambi=2 { CB:39.6 } atom: 564 68K-HB3 B 1.23 ambi=2 { CB:34.1 } :: atom: 578 69Y-HB3 B 3.44 ambi=2 { CB:39.6 } atom: 564 68K-HB3 B 1.23 ambi=2 { CB:34.1 } ::sumAvg: 4.355 atom: 563 68K-HB2 B 1.09 ambi=2 { CB:34.1 } atom: 587 70V-H N 6.95 ambi=1 { N:115.4 } :: atom: 564 68K-HB3 B 1.23 ambi=2 { CB:34.1 } atom: 587 70V-H N 6.95 ambi=1 { N:115.4 } ::sumAvg: 4.47 atom: 576 69Y-HA A 4.76 ambi=1 { CA:57.8 } atom: 579 69Y-QD D 7.13 ambi=3 { CD1:132.5 } ::sumAvg: 2.745 atom: 576 69Y-HA A 4.76 ambi=1 { CA:57.8 } atom: 581 69Y-QE E 6.74 ambi=3 { CE1:117.6 } ::sumAvg: 4.62 atom: 576 69Y-HA A 4.76 ambi=1 { CA:57.8 } atom: 590 70V-HG1 G1 0.78 ambi=2 { CG1:20.4 } :: atom: 576 69Y-HA A 4.76 ambi=1 { CA:57.8 } atom: 591 70V-HG2 G2 0.96 ambi=2 { CG2:21 } ::sumAvg: 4.715 atom: 576 69Y-HA A 4.76 ambi=1 { CA:57.8 } atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } ::sumAvg: 4.97 atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } atom: 576 69Y-HA A 4.76 ambi=1 { CA:57.8 } ::sumAvg: 4.97 atom: 577 69Y-HB2 B 2.81 ambi=2 { CB:39.6 } atom: 587 70V-H N 6.95 ambi=1 { N:115.4 } :: atom: 578 69Y-HB3 B 3.44 ambi=2 { CB:39.6 } atom: 587 70V-H N 6.95 ambi=1 { N:115.4 } ::sumAvg: 2.52 atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } atom: 577 69Y-HB2 B 2.81 ambi=2 { CB:39.6 } :: atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } atom: 578 69Y-HB3 B 3.44 ambi=2 { CB:39.6 } ::sumAvg: 4.425 atom: 577 69Y-HB2 B 2.81 ambi=2 { CB:39.6 } atom: 589 70V-HB B 1.82 ambi=1 { CB:34.5 } :: atom: 578 69Y-HB3 B 3.44 ambi=2 { CB:39.6 } atom: 589 70V-HB B 1.82 ambi=1 { CB:34.5 } ::sumAvg: 4.595 atom: 589 70V-HB B 1.82 ambi=1 { CB:34.5 } atom: 577 69Y-HB2 B 2.81 ambi=2 { CB:39.6 } :: atom: 589 70V-HB B 1.82 ambi=1 { CB:34.5 } atom: 578 69Y-HB3 B 3.44 ambi=2 { CB:39.6 } ::sumAvg: 4.595 atom: 577 69Y-HB2 B 2.81 ambi=2 { CB:39.6 } atom: 590 70V-HG1 G1 0.78 ambi=2 { CG1:20.4 } :: atom: 577 69Y-HB2 B 2.81 ambi=2 { CB:39.6 } atom: 591 70V-HG2 G2 0.96 ambi=2 { CG2:21 } :: atom: 578 69Y-HB3 B 3.44 ambi=2 { CB:39.6 } atom: 590 70V-HG1 G1 0.78 ambi=2 { CG1:20.4 } :: atom: 578 69Y-HB3 B 3.44 ambi=2 { CB:39.6 } atom: 591 70V-HG2 G2 0.96 ambi=2 { CG2:21 } ::sumAvg: 3.375 atom: 577 69Y-HB2 B 2.81 ambi=2 { CB:39.6 } atom: 1043 112A-HA A 4.13 ambi=1 { CA:55 } :: atom: 578 69Y-HB3 B 3.44 ambi=2 { CB:39.6 } atom: 1043 112A-HA A 4.13 ambi=1 { CA:55 } ::sumAvg: 4.61 atom: 1043 112A-HA A 4.13 ambi=1 { CA:55 } atom: 577 69Y-HB2 B 2.81 ambi=2 { CB:39.6 } :: atom: 1043 112A-HA A 4.13 ambi=1 { CA:55 } atom: 578 69Y-HB3 B 3.44 ambi=2 { CB:39.6 } ::sumAvg: 4.61 atom: 577 69Y-HB2 B 2.81 ambi=2 { CB:39.6 } atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } :: atom: 578 69Y-HB3 B 3.44 ambi=2 { CB:39.6 } atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } ::sumAvg: 3.29 atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } atom: 579 69Y-QD D 7.13 ambi=3 { CD1:132.5 } ::sumAvg: 4.74 atom: 1085 116E-HG2 G 2.25 ambi=2 { CG:35.8 } atom: 579 69Y-QD D 7.13 ambi=3 { CD1:132.5 } :: atom: 1086 116E-HG3 G 2.35 ambi=2 { CG:35.8 } atom: 579 69Y-QD D 7.13 ambi=3 { CD1:132.5 } ::sumAvg: 4.84 atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } atom: 581 69Y-QE E 6.74 ambi=3 { CE1:117.6 } ::sumAvg: 4.3 atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } :: atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } ::sumAvg: 4.46 atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } :: atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } ::sumAvg: 4.46 atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } :: atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } ::sumAvg: 3.78 atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } :: atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } ::sumAvg: 3.78 atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } atom: 635 74Q-HG2 G 2.45 ambi=2 { CG:34.5 } :: atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } atom: 636 74Q-HG3 G 2.31 ambi=2 { CG:34.5 } ::sumAvg: 4.2 atom: 635 74Q-HG2 G 2.45 ambi=2 { CG:34.5 } atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } :: atom: 636 74Q-HG3 G 2.31 ambi=2 { CG:34.5 } atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } ::sumAvg: 4.2 atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } ::sumAvg: 3.985 atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } ::sumAvg: 3.985 atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } ::sumAvg: 4.355 atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } atom: 588 70V-HA A 4.72 ambi=1 { CA:60 } ::sumAvg: 4.355 atom: 589 70V-HB B 1.82 ambi=1 { CB:34.5 } atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } ::sumAvg: 4.205 atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } atom: 589 70V-HB B 1.82 ambi=1 { CB:34.5 } ::sumAvg: 4.205 atom: 589 70V-HB B 1.82 ambi=1 { CB:34.5 } atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } :: atom: 589 70V-HB B 1.82 ambi=1 { CB:34.5 } atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } ::sumAvg: 4.045 atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } atom: 589 70V-HB B 1.82 ambi=1 { CB:34.5 } :: atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } atom: 589 70V-HB B 1.82 ambi=1 { CB:34.5 } ::sumAvg: 4.045 atom: 589 70V-HB B 1.82 ambi=1 { CB:34.5 } atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } ::sumAvg: 4.03 atom: 589 70V-HB B 1.82 ambi=1 { CB:34.5 } atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } ::sumAvg: 4.69 atom: 589 70V-HB B 1.82 ambi=1 { CB:34.5 } atom: 1049 113V-HA A 3.54 ambi=1 { CA:67.2 } ::sumAvg: 4.97 atom: 1049 113V-HA A 3.54 ambi=1 { CA:67.2 } atom: 589 70V-HB B 1.82 ambi=1 { CB:34.5 } ::sumAvg: 4.97 atom: 590 70V-HG1 G1 0.78 ambi=2 { CG1:20.4 } atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } :: atom: 591 70V-HG2 G2 0.96 ambi=2 { CG2:21 } atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } ::sumAvg: 3.795 atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } atom: 590 70V-HG1 G1 0.78 ambi=2 { CG1:20.4 } :: atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } atom: 591 70V-HG2 G2 0.96 ambi=2 { CG2:21 } ::sumAvg: 3.795 atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } atom: 590 70V-HG1 G1 0.78 ambi=2 { CG1:20.4 } :: atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } atom: 590 70V-HG1 G1 0.78 ambi=2 { CG1:20.4 } :: atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } atom: 591 70V-HG2 G2 0.96 ambi=2 { CG2:21 } :: atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } atom: 591 70V-HG2 G2 0.96 ambi=2 { CG2:21 } ::sumAvg: 4.725 atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } atom: 590 70V-HG1 G1 0.78 ambi=2 { CG1:20.4 } :: atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } atom: 591 70V-HG2 G2 0.96 ambi=2 { CG2:21 } ::sumAvg: 4.685 atom: 590 70V-HG1 G1 0.78 ambi=2 { CG1:20.4 } atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } :: atom: 591 70V-HG2 G2 0.96 ambi=2 { CG2:21 } atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } ::sumAvg: 4.915 atom: 635 74Q-HG2 G 2.45 ambi=2 { CG:34.5 } atom: 590 70V-HG1 G1 0.78 ambi=2 { CG1:20.4 } :: atom: 636 74Q-HG3 G 2.31 ambi=2 { CG:34.5 } atom: 590 70V-HG1 G1 0.78 ambi=2 { CG1:20.4 } :: atom: 635 74Q-HG2 G 2.45 ambi=2 { CG:34.5 } atom: 591 70V-HG2 G2 0.96 ambi=2 { CG2:21 } :: atom: 636 74Q-HG3 G 2.31 ambi=2 { CG:34.5 } atom: 591 70V-HG2 G2 0.96 ambi=2 { CG2:21 } ::sumAvg: 4.125 atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } atom: 590 70V-HG1 G1 0.78 ambi=2 { CG1:20.4 } :: atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } atom: 591 70V-HG2 G2 0.96 ambi=2 { CG2:21 } ::sumAvg: 4.62 atom: 1013 109T-HA A 3.86 ambi=1 { CA:66.8 } atom: 590 70V-HG1 G1 0.78 ambi=2 { CG1:20.4 } :: atom: 1013 109T-HA A 3.86 ambi=1 { CA:66.8 } atom: 591 70V-HG2 G2 0.96 ambi=2 { CG2:21 } ::sumAvg: 4.26 atom: 1043 112A-HA A 4.13 ambi=1 { CA:55 } atom: 590 70V-HG1 G1 0.78 ambi=2 { CG1:20.4 } :: atom: 1043 112A-HA A 4.13 ambi=1 { CA:55 } atom: 591 70V-HG2 G2 0.96 ambi=2 { CG2:21 } ::sumAvg: 4.98 atom: 1083 116E-HB2 B 2.12 ambi=2 { CB:29 } atom: 590 70V-HG1 G1 0.78 ambi=2 { CG1:20.4 } :: atom: 1084 116E-HB3 B 2.17 ambi=2 { CB:29 } atom: 590 70V-HG1 G1 0.78 ambi=2 { CG1:20.4 } :: atom: 1083 116E-HB2 B 2.12 ambi=2 { CB:29 } atom: 591 70V-HG2 G2 0.96 ambi=2 { CG2:21 } :: atom: 1084 116E-HB3 B 2.17 ambi=2 { CB:29 } atom: 591 70V-HG2 G2 0.96 ambi=2 { CG2:21 } ::sumAvg: 4.855 atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } atom: 597 71H-H N 7.87 ambi=1 { N:120.6 } :: atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } atom: 597 71H-H N 7.87 ambi=1 { N:120.6 } ::sumAvg: 2.25 atom: 635 74Q-HG2 G 2.45 ambi=2 { CG:34.5 } atom: 597 71H-H N 7.87 ambi=1 { N:120.6 } :: atom: 636 74Q-HG3 G 2.31 ambi=2 { CG:34.5 } atom: 597 71H-H N 7.87 ambi=1 { N:120.6 } ::sumAvg: 3.07 atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } atom: 597 71H-H N 7.87 ambi=1 { N:120.6 } :: atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } atom: 597 71H-H N 7.87 ambi=1 { N:120.6 } ::sumAvg: 3.995 atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } atom: 597 71H-H N 7.87 ambi=1 { N:120.6 } ::sumAvg: 4.53 atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } atom: 597 71H-H N 7.87 ambi=1 { N:120.6 } ::sumAvg: 4.575 atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } atom: 606 72K-H N 8.4 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.45 atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } ::sumAvg: 4.315 atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } ::sumAvg: 4.315 atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } atom: 608 72K-HB2 B 1.77 ambi=2 { CB:32.8 } :: atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } atom: 609 72K-HB3 B 1.85 ambi=2 { CB:32.8 } ::sumAvg: 4.715 atom: 608 72K-HB2 B 1.77 ambi=2 { CB:32.8 } atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } :: atom: 609 72K-HB3 B 1.85 ambi=2 { CB:32.8 } atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } ::sumAvg: 4.715 atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } ::sumAvg: 4.895 atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } ::sumAvg: 4.895 atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } ::sumAvg: 4.33 atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } ::sumAvg: 4.525 atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } :: atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } ::sumAvg: 4.575 atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } :: atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } ::sumAvg: 4.575 atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } ::sumAvg: 4.665 atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } atom: 598 71H-HA A 4.91 ambi=1 { CA:54.1 } ::sumAvg: 4.665 atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } atom: 606 72K-H N 8.4 ambi=1 {attached_atom is not_assigned} :: atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } atom: 606 72K-H N 8.4 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.95 atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } :: atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } ::sumAvg: 4.96 atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } :: atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } ::sumAvg: 4.96 atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } :: atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } ::sumAvg: 4.785 atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } :: atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } ::sumAvg: 4.785 atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } :: atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } ::sumAvg: 3.015 atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } atom: 623 73E-HB2 B 2.07 ambi=2 { CB:28.3 } :: atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } atom: 624 73E-HB3 B 2.12 ambi=2 { CB:28.3 } :: atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } atom: 623 73E-HB2 B 2.07 ambi=2 { CB:28.3 } :: atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } atom: 624 73E-HB3 B 2.12 ambi=2 { CB:28.3 } ::sumAvg: 3.35 atom: 623 73E-HB2 B 2.07 ambi=2 { CB:28.3 } atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } :: atom: 624 73E-HB3 B 2.12 ambi=2 { CB:28.3 } atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } :: atom: 623 73E-HB2 B 2.07 ambi=2 { CB:28.3 } atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } :: atom: 624 73E-HB3 B 2.12 ambi=2 { CB:28.3 } atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } ::sumAvg: 3.35 atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } atom: 625 73E-HG2 G 2.37 ambi=2 { CG:36.9 } :: atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } atom: 626 73E-HG3 G 2.48 ambi=2 { CG:36.9 } :: atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } atom: 625 73E-HG2 G 2.37 ambi=2 { CG:36.9 } :: atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } atom: 626 73E-HG3 G 2.48 ambi=2 { CG:36.9 } ::sumAvg: 4.645 atom: 625 73E-HG2 G 2.37 ambi=2 { CG:36.9 } atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } :: atom: 626 73E-HG3 G 2.48 ambi=2 { CG:36.9 } atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } :: atom: 625 73E-HG2 G 2.37 ambi=2 { CG:36.9 } atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } :: atom: 626 73E-HG3 G 2.48 ambi=2 { CG:36.9 } atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } ::sumAvg: 4.645 atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } :: atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } ::sumAvg: 2.825 atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } :: atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } :: atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } :: atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } ::sumAvg: 3.48 atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } :: atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } :: atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } :: atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } ::sumAvg: 3.48 atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } atom: 635 74Q-HG2 G 2.45 ambi=2 { CG:34.5 } :: atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } atom: 636 74Q-HG3 G 2.31 ambi=2 { CG:34.5 } :: atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } atom: 635 74Q-HG2 G 2.45 ambi=2 { CG:34.5 } :: atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } atom: 636 74Q-HG3 G 2.31 ambi=2 { CG:34.5 } ::sumAvg: 3.67 atom: 635 74Q-HG2 G 2.45 ambi=2 { CG:34.5 } atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } :: atom: 636 74Q-HG3 G 2.31 ambi=2 { CG:34.5 } atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } :: atom: 635 74Q-HG2 G 2.45 ambi=2 { CG:34.5 } atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } :: atom: 636 74Q-HG3 G 2.31 ambi=2 { CG:34.5 } atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } ::sumAvg: 3.67 atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } atom: 637 74Q-HE21 E2 7.57 ambi=2 { NE2:110 } :: atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } atom: 638 74Q-HE22 E2 6.94 ambi=2 { NE2:110 } :: atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } atom: 637 74Q-HE21 E2 7.57 ambi=2 { NE2:110 } :: atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } atom: 638 74Q-HE22 E2 6.94 ambi=2 { NE2:110 } ::sumAvg: 4.91 atom: 599 71H-HB2 B 3.04 ambi=2 { CB:33.7 } atom: 644 75I-H N 7.53 ambi=1 { N:120.6 } :: atom: 600 71H-HB3 B 3.28 ambi=2 { CB:33.7 } atom: 644 75I-H N 7.53 ambi=1 { N:120.6 } ::sumAvg: 4.74 atom: 608 72K-HB2 B 1.77 ambi=2 { CB:32.8 } atom: 606 72K-H N 8.4 ambi=1 {attached_atom is not_assigned} :: atom: 609 72K-HB3 B 1.85 ambi=2 { CB:32.8 } atom: 606 72K-H N 8.4 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.44 atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } atom: 606 72K-H N 8.4 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.1 atom: 614 72K-QE E 2.95 ambi=2 { CE:41.8 } atom: 606 72K-H N 8.4 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.8 atom: 623 73E-HB2 B 2.07 ambi=2 { CB:28.3 } atom: 606 72K-H N 8.4 ambi=1 {attached_atom is not_assigned} :: atom: 624 73E-HB3 B 2.12 ambi=2 { CB:28.3 } atom: 606 72K-H N 8.4 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.78 atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } atom: 614 72K-QE E 2.95 ambi=2 { CE:41.8 } ::sumAvg: 4.95 atom: 614 72K-QE E 2.95 ambi=2 { CE:41.8 } atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } ::sumAvg: 4.95 atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } ::sumAvg: 3.495 atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } atom: 622 73E-HA A 4.17 ambi=1 { CA:60 } ::sumAvg: 4.765 atom: 622 73E-HA A 4.17 ambi=1 { CA:60 } atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } ::sumAvg: 4.765 atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } ::sumAvg: 4.23 atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } ::sumAvg: 4.155 atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } :: atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } ::sumAvg: 3.525 atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } ::sumAvg: 3.325 atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } atom: 657 76E-H N 8.34 ambi=1 { N:117.5 } ::sumAvg: 4.3 atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } atom: 661 76E-HG2 G 2.18 ambi=2 { CG:37.3 } :: atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } atom: 662 76E-HG3 G 2.51 ambi=2 { CG:37.3 } ::sumAvg: 4.57 atom: 661 76E-HG2 G 2.18 ambi=2 { CG:37.3 } atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } :: atom: 662 76E-HG3 G 2.51 ambi=2 { CG:37.3 } atom: 607 72K-HA A 3.68 ambi=1 { CA:60.6 } ::sumAvg: 4.57 atom: 608 72K-HB2 B 1.77 ambi=2 { CB:32.8 } atom: 614 72K-QE E 2.95 ambi=2 { CE:41.8 } :: atom: 609 72K-HB3 B 1.85 ambi=2 { CB:32.8 } atom: 614 72K-QE E 2.95 ambi=2 { CE:41.8 } ::sumAvg: 3.045 atom: 608 72K-HB2 B 1.77 ambi=2 { CB:32.8 } atom: 622 73E-HA A 4.17 ambi=1 { CA:60 } :: atom: 609 72K-HB3 B 1.85 ambi=2 { CB:32.8 } atom: 622 73E-HA A 4.17 ambi=1 { CA:60 } ::sumAvg: 4.49 atom: 622 73E-HA A 4.17 ambi=1 { CA:60 } atom: 608 72K-HB2 B 1.77 ambi=2 { CB:32.8 } :: atom: 622 73E-HA A 4.17 ambi=1 { CA:60 } atom: 609 72K-HB3 B 1.85 ambi=2 { CB:32.8 } ::sumAvg: 4.49 atom: 608 72K-HB2 B 1.77 ambi=2 { CB:32.8 } atom: 625 73E-HG2 G 2.37 ambi=2 { CG:36.9 } :: atom: 608 72K-HB2 B 1.77 ambi=2 { CB:32.8 } atom: 626 73E-HG3 G 2.48 ambi=2 { CG:36.9 } :: atom: 609 72K-HB3 B 1.85 ambi=2 { CB:32.8 } atom: 625 73E-HG2 G 2.37 ambi=2 { CG:36.9 } :: atom: 609 72K-HB3 B 1.85 ambi=2 { CB:32.8 } atom: 626 73E-HG3 G 2.48 ambi=2 { CG:36.9 } ::sumAvg: 4.74 atom: 625 73E-HG2 G 2.37 ambi=2 { CG:36.9 } atom: 608 72K-HB2 B 1.77 ambi=2 { CB:32.8 } :: atom: 626 73E-HG3 G 2.48 ambi=2 { CG:36.9 } atom: 608 72K-HB2 B 1.77 ambi=2 { CB:32.8 } :: atom: 625 73E-HG2 G 2.37 ambi=2 { CG:36.9 } atom: 609 72K-HB3 B 1.85 ambi=2 { CB:32.8 } :: atom: 626 73E-HG3 G 2.48 ambi=2 { CG:36.9 } atom: 609 72K-HB3 B 1.85 ambi=2 { CB:32.8 } ::sumAvg: 4.74 atom: 608 72K-HB2 B 1.77 ambi=2 { CB:32.8 } atom: 661 76E-HG2 G 2.18 ambi=2 { CG:37.3 } :: atom: 608 72K-HB2 B 1.77 ambi=2 { CB:32.8 } atom: 662 76E-HG3 G 2.51 ambi=2 { CG:37.3 } :: atom: 609 72K-HB3 B 1.85 ambi=2 { CB:32.8 } atom: 662 76E-HG3 G 2.51 ambi=2 { CG:37.3 } ::sumAvg: 4.9 atom: 661 76E-HG2 G 2.18 ambi=2 { CG:37.3 } atom: 608 72K-HB2 B 1.77 ambi=2 { CB:32.8 } :: atom: 662 76E-HG3 G 2.51 ambi=2 { CG:37.3 } atom: 608 72K-HB2 B 1.77 ambi=2 { CB:32.8 } :: atom: 662 76E-HG3 G 2.51 ambi=2 { CG:37.3 } atom: 609 72K-HB3 B 1.85 ambi=2 { CB:32.8 } ::sumAvg: 4.9 atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } atom: 646 75I-HB B 2.11 ambi=1 { CB:36.8 } ::sumAvg: 4.32 atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } ::sumAvg: 3.22 atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } atom: 622 73E-HA A 4.17 ambi=1 { CA:60 } ::sumAvg: 4.515 atom: 622 73E-HA A 4.17 ambi=1 { CA:60 } atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } ::sumAvg: 4.515 atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } ::sumAvg: 4.975 atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } ::sumAvg: 4.465 atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } atom: 661 76E-HG2 G 2.18 ambi=2 { CG:37.3 } :: atom: 610 72K-QG G 1.3 ambi=2 { CG:24 } atom: 662 76E-HG3 G 2.51 ambi=2 { CG:37.3 } ::sumAvg: 4.245 atom: 612 72K-QD D 1.65 ambi=2 { CD:29.7 } atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } ::sumAvg: 4.83 atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } :: atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } atom: 621 73E-H N 9.68 ambi=1 { N:117.3 } ::sumAvg: 4.655 atom: 622 73E-HA A 4.17 ambi=1 { CA:60 } atom: 644 75I-H N 7.53 ambi=1 { N:120.6 } ::sumAvg: 4.335 atom: 622 73E-HA A 4.17 ambi=1 { CA:60 } atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } ::sumAvg: 4.655 atom: 623 73E-HB2 B 2.07 ambi=2 { CB:28.3 } atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } :: atom: 624 73E-HB3 B 2.12 ambi=2 { CB:28.3 } atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } ::sumAvg: 4.58 atom: 646 75I-HB B 2.11 ambi=1 { CB:36.8 } atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } ::sumAvg: 4.65 atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } :: atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } atom: 631 74Q-H N 7.36 ambi=1 { N:117.7 } ::sumAvg: 4.36 atom: 632 74Q-HA A 4.18 ambi=1 { CA:58.3 } atom: 657 76E-H N 8.34 ambi=1 { N:117.5 } ::sumAvg: 4.44 atom: 632 74Q-HA A 4.18 ambi=1 { CA:58.3 } atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } ::sumAvg: 4.61 atom: 645 75I-HA A 3.78 ambi=1 { CA:64.1 } atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } :: atom: 645 75I-HA A 3.78 ambi=1 { CA:64.1 } atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } ::sumAvg: 4.305 atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } :: atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } :: atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } :: atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } ::sumAvg: 3.51 atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } :: atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } :: atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } :: atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } ::sumAvg: 3.51 atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } :: atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } ::sumAvg: 4.325 atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } :: atom: 650 75I-HD1 D1 0.56 ambi=1 { CD1:12.8 } atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } ::sumAvg: 4.325 atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } :: atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } ::sumAvg: 4.315 atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } :: atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } ::sumAvg: 4.315 atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } :: atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } ::sumAvg: 4.14 atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } :: atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } :: atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } :: atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } ::sumAvg: 4.14 atom: 633 74Q-HB2 B 2.31 ambi=2 { CB:28.3 } atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } :: atom: 634 74Q-HB3 B 2.2 ambi=2 { CB:28.3 } atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } ::sumAvg: 3.01 atom: 635 74Q-HG2 G 2.45 ambi=2 { CG:34.5 } atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } :: atom: 636 74Q-HG3 G 2.31 ambi=2 { CG:34.5 } atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } ::sumAvg: 4.485 atom: 635 74Q-HG2 G 2.45 ambi=2 { CG:34.5 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 635 74Q-HG2 G 2.45 ambi=2 { CG:34.5 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } :: atom: 636 74Q-HG3 G 2.31 ambi=2 { CG:34.5 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 636 74Q-HG3 G 2.31 ambi=2 { CG:34.5 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } ::sumAvg: 4.76 atom: 635 74Q-HG2 G 2.45 ambi=2 { CG:34.5 } atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } :: atom: 636 74Q-HG3 G 2.31 ambi=2 { CG:34.5 } atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } ::sumAvg: 4.2 atom: 659 76E-QB B 2.08 ambi=2 { CB:29.7 } atom: 644 75I-H N 7.53 ambi=1 { N:120.6 } ::sumAvg: 4.56 atom: 661 76E-HG2 G 2.18 ambi=2 { CG:37.3 } atom: 644 75I-H N 7.53 ambi=1 { N:120.6 } :: atom: 662 76E-HG3 G 2.51 ambi=2 { CG:37.3 } atom: 644 75I-H N 7.53 ambi=1 { N:120.6 } ::sumAvg: 4.605 atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } atom: 644 75I-H N 7.53 ambi=1 { N:120.6 } ::sumAvg: 4.6 atom: 659 76E-QB B 2.08 ambi=2 { CB:29.7 } atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } ::sumAvg: 4.435 atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } atom: 673 78V-H N 7.62 ambi=1 { N:116.8 } ::sumAvg: 4.555 atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } ::sumAvg: 3.935 atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } ::sumAvg: 3.935 atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } ::sumAvg: 4.365 atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } atom: 683 79K-H N 8.57 ambi=1 { N:119.5 } ::sumAvg: 4.21 atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } atom: 685 79K-HB2 B 1.92 ambi=2 { CB:31.5 } :: atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } atom: 686 79K-HB3 B 2.06 ambi=2 { CB:31.5 } ::sumAvg: 3.83 atom: 685 79K-HB2 B 1.92 ambi=2 { CB:31.5 } atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } :: atom: 686 79K-HB3 B 2.06 ambi=2 { CB:31.5 } atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } ::sumAvg: 3.83 atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } atom: 689 79K-HD2 D 1.68 ambi=2 { CD:29.3 } :: atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } atom: 690 79K-HD3 D 1.72 ambi=2 { CD:29.3 } ::sumAvg: 4.65 atom: 689 79K-HD2 D 1.68 ambi=2 { CD:29.3 } atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } :: atom: 690 79K-HD3 D 1.72 ambi=2 { CD:29.3 } atom: 649 75I-HG2 G2 0.76 ambi=1 { CG2:18.1 } ::sumAvg: 4.65 atom: 648 75I-HG13 G1 1.1 ambi=2 { CG1:28.4 } atom: 657 76E-H N 8.34 ambi=1 { N:117.5 } :: atom: 647 75I-HG12 G1 1.33 ambi=2 { CG1:28.4 } atom: 657 76E-H N 8.34 ambi=1 { N:117.5 } ::sumAvg: 4.31 atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 4.635 atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } atom: 744 84E-H N 7.66 ambi=1 { N:121.5 } ::sumAvg: 4.52 atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } ::sumAvg: 3.465 atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } atom: 758 85L-HG G 1.47 ambi=1 { CG:26.8 } ::sumAvg: 4.63 atom: 758 85L-HG G 1.47 ambi=1 { CG:26.8 } atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } ::sumAvg: 4.63 atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 4.695 atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } ::sumAvg: 4.405 atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } ::sumAvg: 4.405 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } ::sumAvg: 2.265 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 4.36 atom: 732 83L-HA A 3.9 ambi=1 { CA:57 } atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } :: atom: 732 83L-HA A 3.9 ambi=1 { CA:57 } atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } ::sumAvg: 4.375 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 733 83L-HB2 B 1.95 ambi=2 { CB:40.4 } :: atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 734 83L-HB3 B 1.58 ambi=2 { CB:40.4 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 733 83L-HB2 B 1.95 ambi=2 { CB:40.4 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 734 83L-HB3 B 1.58 ambi=2 { CB:40.4 } ::sumAvg: 4.345 atom: 733 83L-HB2 B 1.95 ambi=2 { CB:40.4 } atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } :: atom: 734 83L-HB3 B 1.58 ambi=2 { CB:40.4 } atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } :: atom: 733 83L-HB2 B 1.95 ambi=2 { CB:40.4 } atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } :: atom: 734 83L-HB3 B 1.58 ambi=2 { CB:40.4 } atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } ::sumAvg: 4.345 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 731 83L-H N 8.21 ambi=1 { N:117.4 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 731 83L-H N 8.21 ambi=1 { N:117.4 } ::sumAvg: 2.535 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 735 83L-HG G 2.06 ambi=1 { CG:27 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 735 83L-HG G 2.06 ambi=1 { CG:27 } ::sumAvg: 4.92 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } :: atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } ::sumAvg: 4.645 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } :: atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } ::sumAvg: 4.645 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 744 84E-H N 7.66 ambi=1 { N:121.5 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 744 84E-H N 7.66 ambi=1 { N:121.5 } ::sumAvg: 4.99 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } :: atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } ::sumAvg: 4.675 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 977 106V-HA A 3.69 ambi=1 { CA:66.3 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 977 106V-HA A 3.69 ambi=1 { CA:66.3 } ::sumAvg: 4.935 atom: 977 106V-HA A 3.69 ambi=1 { CA:66.3 } atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } :: atom: 977 106V-HA A 3.69 ambi=1 { CA:66.3 } atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } ::sumAvg: 4.935 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } ::sumAvg: 4.995 atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } :: atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } ::sumAvg: 4.995 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } :: atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } ::sumAvg: 2.525 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 4.23 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } :: atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } ::sumAvg: 4.23 atom: 658 76E-HA A 3.97 ambi=1 { CA:59.2 } atom: 673 78V-H N 7.62 ambi=1 { N:116.8 } ::sumAvg: 4.315 atom: 659 76E-QB B 2.08 ambi=2 { CB:29.7 } atom: 668 77A-HA A 4.37 ambi=1 { CA:53.4 } ::sumAvg: 3.915 atom: 668 77A-HA A 4.37 ambi=1 { CA:53.4 } atom: 659 76E-QB B 2.08 ambi=2 { CB:29.7 } ::sumAvg: 3.915 atom: 659 76E-QB B 2.08 ambi=2 { CB:29.7 } atom: 683 79K-H N 8.57 ambi=1 { N:119.5 } ::sumAvg: 4.835 atom: 659 76E-QB B 2.08 ambi=2 { CB:29.7 } atom: 689 79K-HD2 D 1.68 ambi=2 { CD:29.3 } ::sumAvg: 4.735 atom: 661 76E-HG2 G 2.18 ambi=2 { CG:37.3 } atom: 689 79K-HD2 D 1.68 ambi=2 { CD:29.3 } :: atom: 661 76E-HG2 G 2.18 ambi=2 { CG:37.3 } atom: 690 79K-HD3 D 1.72 ambi=2 { CD:29.3 } :: atom: 662 76E-HG3 G 2.51 ambi=2 { CG:37.3 } atom: 689 79K-HD2 D 1.68 ambi=2 { CD:29.3 } :: atom: 662 76E-HG3 G 2.51 ambi=2 { CG:37.3 } atom: 690 79K-HD3 D 1.72 ambi=2 { CD:29.3 } ::sumAvg: 4.65 atom: 689 79K-HD2 D 1.68 ambi=2 { CD:29.3 } atom: 661 76E-HG2 G 2.18 ambi=2 { CG:37.3 } :: atom: 690 79K-HD3 D 1.72 ambi=2 { CD:29.3 } atom: 661 76E-HG2 G 2.18 ambi=2 { CG:37.3 } :: atom: 689 79K-HD2 D 1.68 ambi=2 { CD:29.3 } atom: 662 76E-HG3 G 2.51 ambi=2 { CG:37.3 } :: atom: 690 79K-HD3 D 1.72 ambi=2 { CD:29.3 } atom: 662 76E-HG3 G 2.51 ambi=2 { CG:37.3 } ::sumAvg: 4.65 atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } atom: 667 77A-H N 7.39 ambi=1 { N:118.6 } ::sumAvg: 4.8 atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } atom: 667 77A-H N 7.39 ambi=1 { N:118.6 } :: atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } atom: 667 77A-H N 7.39 ambi=1 { N:118.6 } ::sumAvg: 4.25 atom: 668 77A-HA A 4.37 ambi=1 { CA:53.4 } atom: 674 78V-HA A 3.72 ambi=1 { CA:66.7 } ::sumAvg: 4.755 atom: 674 78V-HA A 3.72 ambi=1 { CA:66.7 } atom: 668 77A-HA A 4.37 ambi=1 { CA:53.4 } ::sumAvg: 4.755 atom: 668 77A-HA A 4.37 ambi=1 { CA:53.4 } atom: 683 79K-H N 8.57 ambi=1 { N:119.5 } ::sumAvg: 4.5 atom: 668 77A-HA A 4.37 ambi=1 { CA:53.4 } atom: 701 80D-HB2 B 2.63 ambi=2 { CB:40 } :: atom: 668 77A-HA A 4.37 ambi=1 { CA:53.4 } atom: 702 80D-HB3 B 2.66 ambi=2 { CB:40 } ::sumAvg: 3.725 atom: 701 80D-HB2 B 2.63 ambi=2 { CB:40 } atom: 668 77A-HA A 4.37 ambi=1 { CA:53.4 } :: atom: 702 80D-HB3 B 2.66 ambi=2 { CB:40 } atom: 668 77A-HA A 4.37 ambi=1 { CA:53.4 } ::sumAvg: 3.725 atom: 668 77A-HA A 4.37 ambi=1 { CA:53.4 } atom: 706 81N-H N 7.69 ambi=1 { N:118.3 } ::sumAvg: 4.05 atom: 668 77A-HA A 4.37 ambi=1 { CA:53.4 } atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } :: atom: 668 77A-HA A 4.37 ambi=1 { CA:53.4 } atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } ::sumAvg: 4.965 atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } atom: 668 77A-HA A 4.37 ambi=1 { CA:53.4 } :: atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } atom: 668 77A-HA A 4.37 ambi=1 { CA:53.4 } ::sumAvg: 4.965 atom: 668 77A-HA A 4.37 ambi=1 { CA:53.4 } atom: 710 81N-HD21 D2 8.02 ambi=2 { ND2:111.9 } :: atom: 668 77A-HA A 4.37 ambi=1 { CA:53.4 } atom: 711 81N-HD22 D2 6.98 ambi=2 { ND2:111.9 } ::sumAvg: 4.535 atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } ::sumAvg: 3.11 atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } atom: 701 80D-HB2 B 2.63 ambi=2 { CB:40 } :: atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } atom: 702 80D-HB3 B 2.66 ambi=2 { CB:40 } ::sumAvg: 4.855 atom: 701 80D-HB2 B 2.63 ambi=2 { CB:40 } atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } :: atom: 702 80D-HB3 B 2.66 ambi=2 { CB:40 } atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } ::sumAvg: 4.855 atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } :: atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } ::sumAvg: 4.395 atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } atom: 971 105S-QB B 3.96 ambi=2 { CB:62.7 } ::sumAvg: 3.955 atom: 971 105S-QB B 3.96 ambi=2 { CB:62.7 } atom: 669 77A-HB B 1.52 ambi=1 { CB:18.8 } ::sumAvg: 3.955 atom: 685 79K-HB2 B 1.92 ambi=2 { CB:31.5 } atom: 673 78V-H N 7.62 ambi=1 { N:116.8 } :: atom: 686 79K-HB3 B 2.06 ambi=2 { CB:31.5 } atom: 673 78V-H N 7.62 ambi=1 { N:116.8 } ::sumAvg: 4.815 atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } atom: 673 78V-H N 7.62 ambi=1 { N:116.8 } :: atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } atom: 673 78V-H N 7.62 ambi=1 { N:116.8 } ::sumAvg: 4.98 atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } atom: 673 78V-H N 7.62 ambi=1 { N:116.8 } ::sumAvg: 4.35 atom: 674 78V-HA A 3.72 ambi=1 { CA:66.7 } atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } :: atom: 674 78V-HA A 3.72 ambi=1 { CA:66.7 } atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } ::sumAvg: 3.925 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 674 78V-HA A 3.72 ambi=1 { CA:66.7 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 674 78V-HA A 3.72 ambi=1 { CA:66.7 } ::sumAvg: 3.925 atom: 674 78V-HA A 3.72 ambi=1 { CA:66.7 } atom: 710 81N-HD21 D2 8.02 ambi=2 { ND2:111.9 } :: atom: 674 78V-HA A 3.72 ambi=1 { CA:66.7 } atom: 711 81N-HD22 D2 6.98 ambi=2 { ND2:111.9 } ::sumAvg: 4.14 atom: 674 78V-HA A 3.72 ambi=1 { CA:66.7 } atom: 716 82F-H N 9.62 ambi=1 { N:121.4 } ::sumAvg: 3.39 atom: 684 79K-HA A 3.78 ambi=1 { CA:61.8 } atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } ::sumAvg: 4.36 atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } atom: 685 79K-HB2 B 1.92 ambi=2 { CB:31.5 } ::sumAvg: 4.565 atom: 685 79K-HB2 B 1.92 ambi=2 { CB:31.5 } atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } ::sumAvg: 4.565 atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } :: atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } ::sumAvg: 4.605 atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } ::sumAvg: 4.72 atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } ::sumAvg: 4.72 atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } ::sumAvg: 3.74 atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } ::sumAvg: 3.74 atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 4.67 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 675 78V-HB B 2.43 ambi=1 { CB:31.5 } ::sumAvg: 4.67 atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } ::sumAvg: 4.155 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } ::sumAvg: 2.5 atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } atom: 706 81N-H N 7.69 ambi=1 { N:118.3 } :: atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } atom: 706 81N-H N 7.69 ambi=1 { N:118.3 } ::sumAvg: 4.68 atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } :: atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } ::sumAvg: 4.13 atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } atom: 970 105S-HA A 4.29 ambi=1 { CA:60.9 } :: atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } atom: 970 105S-HA A 4.29 ambi=1 { CA:60.9 } ::sumAvg: 4.915 atom: 970 105S-HA A 4.29 ambi=1 { CA:60.9 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 970 105S-HA A 4.29 ambi=1 { CA:60.9 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } ::sumAvg: 4.915 atom: 971 105S-QB B 3.96 ambi=2 { CB:62.7 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 971 105S-QB B 3.96 ambi=2 { CB:62.7 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } ::sumAvg: 4.3 atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } :: atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } ::sumAvg: 4.345 atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } ::sumAvg: 4.345 atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } atom: 1012 109T-H N 7.8 ambi=1 { N:116.5 } :: atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } atom: 1012 109T-H N 7.8 ambi=1 { N:116.5 } ::sumAvg: 4.005 atom: 1013 109T-HA A 3.86 ambi=1 { CA:66.8 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 1013 109T-HA A 3.86 ambi=1 { CA:66.8 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } ::sumAvg: 4.595 atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } atom: 1021 110L-HA A 3.9 ambi=1 { CA:58.5 } :: atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } atom: 1021 110L-HA A 3.9 ambi=1 { CA:58.5 } ::sumAvg: 4.325 atom: 1021 110L-HA A 3.9 ambi=1 { CA:58.5 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 1021 110L-HA A 3.9 ambi=1 { CA:58.5 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } ::sumAvg: 4.325 atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } ::sumAvg: 4.94 atom: 1024 110L-HG G 1.63 ambi=1 { CG:26.5 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } ::sumAvg: 2.835 atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 676 78V-HG1 G1 0.56 ambi=2 { CG1:22.1 } :: atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 677 78V-HG2 G2 1.34 ambi=2 { CG2:24.8 } ::sumAvg: 2.6 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 684 79K-HA A 3.78 ambi=1 { CA:61.8 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 684 79K-HA A 3.78 ambi=1 { CA:61.8 } ::sumAvg: 3.48 atom: 691 79K-QE E 2.99 ambi=2 { CE:41.9 } atom: 684 79K-HA A 3.78 ambi=1 { CA:61.8 } ::sumAvg: 4.685 atom: 684 79K-HA A 3.78 ambi=1 { CA:61.8 } atom: 700 80D-HA A 4.49 ambi=1 { CA:57.3 } ::sumAvg: 4.65 atom: 700 80D-HA A 4.49 ambi=1 { CA:57.3 } atom: 684 79K-HA A 3.78 ambi=1 { CA:61.8 } ::sumAvg: 4.65 atom: 684 79K-HA A 3.78 ambi=1 { CA:61.8 } atom: 706 81N-H N 7.69 ambi=1 { N:118.3 } ::sumAvg: 4.925 atom: 684 79K-HA A 3.78 ambi=1 { CA:61.8 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } ::sumAvg: 4.56 atom: 685 79K-HB2 B 1.92 ambi=2 { CB:31.5 } atom: 700 80D-HA A 4.49 ambi=1 { CA:57.3 } :: atom: 686 79K-HB3 B 2.06 ambi=2 { CB:31.5 } atom: 700 80D-HA A 4.49 ambi=1 { CA:57.3 } ::sumAvg: 4.32 atom: 685 79K-HB2 B 1.92 ambi=2 { CB:31.5 } atom: 701 80D-HB2 B 2.63 ambi=2 { CB:40 } :: atom: 685 79K-HB2 B 1.92 ambi=2 { CB:31.5 } atom: 702 80D-HB3 B 2.66 ambi=2 { CB:40 } :: atom: 686 79K-HB3 B 2.06 ambi=2 { CB:31.5 } atom: 701 80D-HB2 B 2.63 ambi=2 { CB:40 } :: atom: 686 79K-HB3 B 2.06 ambi=2 { CB:31.5 } atom: 702 80D-HB3 B 2.66 ambi=2 { CB:40 } ::sumAvg: 4.615 atom: 701 80D-HB2 B 2.63 ambi=2 { CB:40 } atom: 685 79K-HB2 B 1.92 ambi=2 { CB:31.5 } :: atom: 702 80D-HB3 B 2.66 ambi=2 { CB:40 } atom: 685 79K-HB2 B 1.92 ambi=2 { CB:31.5 } :: atom: 701 80D-HB2 B 2.63 ambi=2 { CB:40 } atom: 686 79K-HB3 B 2.06 ambi=2 { CB:31.5 } :: atom: 702 80D-HB3 B 2.66 ambi=2 { CB:40 } atom: 686 79K-HB3 B 2.06 ambi=2 { CB:31.5 } ::sumAvg: 4.615 atom: 685 79K-HB2 B 1.92 ambi=2 { CB:31.5 } atom: 706 81N-H N 7.69 ambi=1 { N:118.3 } :: atom: 686 79K-HB3 B 2.06 ambi=2 { CB:31.5 } atom: 706 81N-H N 7.69 ambi=1 { N:118.3 } ::sumAvg: 4.9 atom: 687 79K-HG2 G 1.48 ambi=2 { CG:24.9 } atom: 700 80D-HA A 4.49 ambi=1 { CA:57.3 } :: atom: 688 79K-HG3 G 1.52 ambi=2 { CG:24.9 } atom: 700 80D-HA A 4.49 ambi=1 { CA:57.3 } ::sumAvg: 3.645 atom: 700 80D-HA A 4.49 ambi=1 { CA:57.3 } atom: 687 79K-HG2 G 1.48 ambi=2 { CG:24.9 } :: atom: 700 80D-HA A 4.49 ambi=1 { CA:57.3 } atom: 688 79K-HG3 G 1.52 ambi=2 { CG:24.9 } ::sumAvg: 3.645 atom: 687 79K-HG2 G 1.48 ambi=2 { CG:24.9 } atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } :: atom: 687 79K-HG2 G 1.48 ambi=2 { CG:24.9 } atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } :: atom: 688 79K-HG3 G 1.52 ambi=2 { CG:24.9 } atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } :: atom: 688 79K-HG3 G 1.52 ambi=2 { CG:24.9 } atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } ::sumAvg: 4.345 atom: 689 79K-HD2 D 1.68 ambi=2 { CD:29.3 } atom: 699 80D-H N 8.35 ambi=1 { N:115.5 } :: atom: 690 79K-HD3 D 1.72 ambi=2 { CD:29.3 } atom: 699 80D-H N 8.35 ambi=1 { N:115.5 } ::sumAvg: 4.69 atom: 691 79K-QE E 2.99 ambi=2 { CE:41.9 } atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } :: atom: 691 79K-QE E 2.99 ambi=2 { CE:41.9 } atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } ::sumAvg: 4.53 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 691 79K-QE E 2.99 ambi=2 { CE:41.9 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 691 79K-QE E 2.99 ambi=2 { CE:41.9 } ::sumAvg: 4.53 atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } atom: 699 80D-H N 8.35 ambi=1 { N:115.5 } :: atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } atom: 699 80D-H N 8.35 ambi=1 { N:115.5 } ::sumAvg: 4.745 atom: 700 80D-HA A 4.49 ambi=1 { CA:57.3 } atom: 716 82F-H N 9.62 ambi=1 { N:121.4 } ::sumAvg: 4.4 atom: 700 80D-HA A 4.49 ambi=1 { CA:57.3 } atom: 731 83L-H N 8.21 ambi=1 { N:117.4 } ::sumAvg: 3.825 atom: 700 80D-HA A 4.49 ambi=1 { CA:57.3 } atom: 735 83L-HG G 2.06 ambi=1 { CG:27 } ::sumAvg: 4.995 atom: 735 83L-HG G 2.06 ambi=1 { CG:27 } atom: 700 80D-HA A 4.49 ambi=1 { CA:57.3 } ::sumAvg: 4.995 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 700 80D-HA A 4.49 ambi=1 { CA:57.3 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 700 80D-HA A 4.49 ambi=1 { CA:57.3 } ::sumAvg: 3.825 atom: 701 80D-HB2 B 2.63 ambi=2 { CB:40 } atom: 706 81N-H N 7.69 ambi=1 { N:118.3 } :: atom: 702 80D-HB3 B 2.66 ambi=2 { CB:40 } atom: 706 81N-H N 7.69 ambi=1 { N:118.3 } ::sumAvg: 2.68 atom: 701 80D-HB2 B 2.63 ambi=2 { CB:40 } atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } :: atom: 702 80D-HB3 B 2.66 ambi=2 { CB:40 } atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } ::sumAvg: 4.09 atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } atom: 701 80D-HB2 B 2.63 ambi=2 { CB:40 } :: atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } atom: 702 80D-HB3 B 2.66 ambi=2 { CB:40 } ::sumAvg: 4.09 atom: 701 80D-HB2 B 2.63 ambi=2 { CB:40 } atom: 733 83L-HB2 B 1.95 ambi=2 { CB:40.4 } :: atom: 701 80D-HB2 B 2.63 ambi=2 { CB:40 } atom: 734 83L-HB3 B 1.58 ambi=2 { CB:40.4 } :: atom: 702 80D-HB3 B 2.66 ambi=2 { CB:40 } atom: 733 83L-HB2 B 1.95 ambi=2 { CB:40.4 } :: atom: 702 80D-HB3 B 2.66 ambi=2 { CB:40 } atom: 734 83L-HB3 B 1.58 ambi=2 { CB:40.4 } ::sumAvg: 4.93 atom: 733 83L-HB2 B 1.95 ambi=2 { CB:40.4 } atom: 701 80D-HB2 B 2.63 ambi=2 { CB:40 } :: atom: 734 83L-HB3 B 1.58 ambi=2 { CB:40.4 } atom: 701 80D-HB2 B 2.63 ambi=2 { CB:40 } :: atom: 733 83L-HB2 B 1.95 ambi=2 { CB:40.4 } atom: 702 80D-HB3 B 2.66 ambi=2 { CB:40 } :: atom: 734 83L-HB3 B 1.58 ambi=2 { CB:40.4 } atom: 702 80D-HB3 B 2.66 ambi=2 { CB:40 } ::sumAvg: 4.93 atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 701 80D-HB2 B 2.63 ambi=2 { CB:40 } :: atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 702 80D-HB3 B 2.66 ambi=2 { CB:40 } ::sumAvg: 4.685 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 706 81N-H N 7.69 ambi=1 { N:118.3 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 706 81N-H N 7.69 ambi=1 { N:118.3 } ::sumAvg: 4.765 atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } ::sumAvg: 4.8 atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } ::sumAvg: 4.8 atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } atom: 710 81N-HD21 D2 8.02 ambi=2 { ND2:111.9 } :: atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } atom: 711 81N-HD22 D2 6.98 ambi=2 { ND2:111.9 } ::sumAvg: 4.385 atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } atom: 731 83L-H N 8.21 ambi=1 { N:117.4 } ::sumAvg: 4.335 atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } ::sumAvg: 2.385 atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } atom: 748 84E-QG G 2.3 ambi=2 { CG:35.9 } ::sumAvg: 3.7 atom: 748 84E-QG G 2.3 ambi=2 { CG:35.9 } atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } ::sumAvg: 3.7 atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } ::sumAvg: 3.87 atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } atom: 940 102I-HG12 G1 1.06 ambi=2 { CG1:27.4 } :: atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } atom: 941 102I-HG13 G1 1.37 ambi=2 { CG1:27.4 } ::sumAvg: 4.765 atom: 940 102I-HG12 G1 1.06 ambi=2 { CG1:27.4 } atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } :: atom: 941 102I-HG13 G1 1.37 ambi=2 { CG1:27.4 } atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } ::sumAvg: 4.765 atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } ::sumAvg: 3.75 atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } ::sumAvg: 4.46 atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } ::sumAvg: 4.46 atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } :: atom: 707 81N-HA A 4.54 ambi=1 { CA:55.5 } atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } ::sumAvg: 4.36 atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } :: atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } ::sumAvg: 4.35 atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } :: atom: 717 82F-HA A 4.06 ambi=1 { CA:60.9 } atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } ::sumAvg: 4.35 atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } :: atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } ::sumAvg: 4.92 atom: 718 82F-HB2 B 2.97 ambi=2 { CB:39.5 } atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } :: atom: 719 82F-HB3 B 3.12 ambi=2 { CB:39.5 } atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } ::sumAvg: 4.92 atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } atom: 716 82F-H N 9.62 ambi=1 { N:121.4 } :: atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } atom: 716 82F-H N 9.62 ambi=1 { N:121.4 } ::sumAvg: 3.16 atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } ::sumAvg: 3.745 atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } ::sumAvg: 3.745 atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } :: atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } ::sumAvg: 4.325 atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } :: atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } atom: 757 85L-HB3 B 1.79 ambi=2 { CB:41.8 } :: atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } :: atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } atom: 757 85L-HB3 B 1.79 ambi=2 { CB:41.8 } ::sumAvg: 4.605 atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } :: atom: 757 85L-HB3 B 1.79 ambi=2 { CB:41.8 } atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } :: atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } :: atom: 757 85L-HB3 B 1.79 ambi=2 { CB:41.8 } atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } ::sumAvg: 4.605 atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } :: atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } :: atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } :: atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } ::sumAvg: 4.635 atom: 938 102I-HA A 3.69 ambi=1 { CA:65 } atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } :: atom: 938 102I-HA A 3.69 ambi=1 { CA:65 } atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } ::sumAvg: 4.075 atom: 940 102I-HG12 G1 1.06 ambi=2 { CG1:27.4 } atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } :: atom: 941 102I-HG13 G1 1.37 ambi=2 { CG1:27.4 } atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } :: atom: 940 102I-HG12 G1 1.06 ambi=2 { CG1:27.4 } atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } :: atom: 941 102I-HG13 G1 1.37 ambi=2 { CG1:27.4 } atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } ::sumAvg: 3.495 atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } :: atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } ::sumAvg: 4.045 atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } :: atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } ::sumAvg: 4.045 atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } atom: 971 105S-QB B 3.96 ambi=2 { CB:62.7 } :: atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } atom: 971 105S-QB B 3.96 ambi=2 { CB:62.7 } ::sumAvg: 4.965 atom: 971 105S-QB B 3.96 ambi=2 { CB:62.7 } atom: 708 81N-HB2 B 2.8 ambi=2 { CB:38.6 } :: atom: 971 105S-QB B 3.96 ambi=2 { CB:62.7 } atom: 709 81N-HB3 B 2.46 ambi=2 { CB:38.6 } ::sumAvg: 4.965 atom: 938 102I-HA A 3.69 ambi=1 { CA:65 } atom: 710 81N-HD21 D2 8.02 ambi=2 { ND2:111.9 } :: atom: 938 102I-HA A 3.69 ambi=1 { CA:65 } atom: 711 81N-HD22 D2 6.98 ambi=2 { ND2:111.9 } ::sumAvg: 4.08 atom: 940 102I-HG12 G1 1.06 ambi=2 { CG1:27.4 } atom: 710 81N-HD21 D2 8.02 ambi=2 { ND2:111.9 } :: atom: 941 102I-HG13 G1 1.37 ambi=2 { CG1:27.4 } atom: 710 81N-HD21 D2 8.02 ambi=2 { ND2:111.9 } :: atom: 940 102I-HG12 G1 1.06 ambi=2 { CG1:27.4 } atom: 711 81N-HD22 D2 6.98 ambi=2 { ND2:111.9 } :: atom: 941 102I-HG13 G1 1.37 ambi=2 { CG1:27.4 } atom: 711 81N-HD22 D2 6.98 ambi=2 { ND2:111.9 } ::sumAvg: 4.9 atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 710 81N-HD21 D2 8.02 ambi=2 { ND2:111.9 } :: atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 711 81N-HD22 D2 6.98 ambi=2 { ND2:111.9 } ::sumAvg: 3.77 atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } atom: 710 81N-HD21 D2 8.02 ambi=2 { ND2:111.9 } :: atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } atom: 711 81N-HD22 D2 6.98 ambi=2 { ND2:111.9 } ::sumAvg: 4.74 atom: 971 105S-QB B 3.96 ambi=2 { CB:62.7 } atom: 710 81N-HD21 D2 8.02 ambi=2 { ND2:111.9 } :: atom: 971 105S-QB B 3.96 ambi=2 { CB:62.7 } atom: 711 81N-HD22 D2 6.98 ambi=2 { ND2:111.9 } ::sumAvg: 3.845 atom: 733 83L-HB2 B 1.95 ambi=2 { CB:40.4 } atom: 716 82F-H N 9.62 ambi=1 { N:121.4 } :: atom: 734 83L-HB3 B 1.58 ambi=2 { CB:40.4 } atom: 716 82F-H N 9.62 ambi=1 { N:121.4 } ::sumAvg: 4.81 atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 716 82F-H N 9.62 ambi=1 { N:121.4 } ::sumAvg: 4.83 atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 716 82F-H N 9.62 ambi=1 { N:121.4 } ::sumAvg: 4.7 atom: 732 83L-HA A 3.9 ambi=1 { CA:57 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } ::sumAvg: 3.59 atom: 733 83L-HB2 B 1.95 ambi=2 { CB:40.4 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } :: atom: 734 83L-HB3 B 1.58 ambi=2 { CB:40.4 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } ::sumAvg: 4.035 atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } :: atom: 757 85L-HB3 B 1.79 ambi=2 { CB:41.8 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } ::sumAvg: 4.11 atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } :: atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } ::sumAvg: 3.35 atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } ::sumAvg: 4.405 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 720 82F-QD D 6.92 ambi=3 { CD1:130.5 } ::sumAvg: 3.415 atom: 732 83L-HA A 3.9 ambi=1 { CA:57 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 4.56 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 3.795 atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } :: atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 4.155 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 722 82F-QE E 7.45 ambi=3 { CE1:130.5 } ::sumAvg: 3.835 atom: 732 83L-HA A 3.9 ambi=1 { CA:57 } atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } ::sumAvg: 4.16 atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } atom: 732 83L-HA A 3.9 ambi=1 { CA:57 } :: atom: 757 85L-HB3 B 1.79 ambi=2 { CB:41.8 } atom: 732 83L-HA A 3.9 ambi=1 { CA:57 } ::sumAvg: 4.7 atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 732 83L-HA A 3.9 ambi=1 { CA:57 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 732 83L-HA A 3.9 ambi=1 { CA:57 } ::sumAvg: 2.915 atom: 732 83L-HA A 3.9 ambi=1 { CA:57 } atom: 777 87L-H N 8.45 ambi=1 { N:120.2 } ::sumAvg: 4.225 atom: 733 83L-HB2 B 1.95 ambi=2 { CB:40.4 } atom: 745 84E-HA A 4.15 ambi=1 { CA:59.5 } :: atom: 734 83L-HB3 B 1.58 ambi=2 { CB:40.4 } atom: 745 84E-HA A 4.15 ambi=1 { CA:59.5 } ::sumAvg: 4.43 atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 734 83L-HB3 B 1.58 ambi=2 { CB:40.4 } ::sumAvg: 4.375 atom: 734 83L-HB3 B 1.58 ambi=2 { CB:40.4 } atom: 748 84E-QG G 2.3 ambi=2 { CG:35.9 } ::sumAvg: 4.75 atom: 733 83L-HB2 B 1.95 ambi=2 { CB:40.4 } atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } :: atom: 734 83L-HB3 B 1.58 ambi=2 { CB:40.4 } atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } ::sumAvg: 4.98 atom: 733 83L-HB2 B 1.95 ambi=2 { CB:40.4 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 733 83L-HB2 B 1.95 ambi=2 { CB:40.4 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } :: atom: 734 83L-HB3 B 1.58 ambi=2 { CB:40.4 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 734 83L-HB3 B 1.58 ambi=2 { CB:40.4 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 4.865 atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 733 83L-HB2 B 1.95 ambi=2 { CB:40.4 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 733 83L-HB2 B 1.95 ambi=2 { CB:40.4 } :: atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 734 83L-HB3 B 1.58 ambi=2 { CB:40.4 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 734 83L-HB3 B 1.58 ambi=2 { CB:40.4 } ::sumAvg: 4.865 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 731 83L-H N 8.21 ambi=1 { N:117.4 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 731 83L-H N 8.21 ambi=1 { N:117.4 } ::sumAvg: 3.725 atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 731 83L-H N 8.21 ambi=1 { N:117.4 } ::sumAvg: 4.39 atom: 804 89S-HA A 4.08 ambi=1 { CA:61.9 } atom: 810 90Y-H N 7.33 ambi=1 { N:116 } ::sumAvg: 3.44 atom: 804 89S-HA A 4.08 ambi=1 { CA:61.9 } atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } ::sumAvg: 4.715 atom: 804 89S-HA A 4.08 ambi=1 { CA:61.9 } atom: 833 92H-H N 8.6 ambi=1 { N:114.5 } ::sumAvg: 4.155 atom: 804 89S-HA A 4.08 ambi=1 { CA:61.9 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } ::sumAvg: 4.505 atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } atom: 810 90Y-H N 7.33 ambi=1 { N:116 } ::sumAvg: 3.115 atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } ::sumAvg: 4.595 atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } ::sumAvg: 4.325 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 735 83L-HG G 2.06 ambi=1 { CG:27 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 735 83L-HG G 2.06 ambi=1 { CG:27 } ::sumAvg: 2.125 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 744 84E-H N 7.66 ambi=1 { N:121.5 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 744 84E-H N 7.66 ambi=1 { N:121.5 } ::sumAvg: 4.305 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 767 86V-H N 8.22 ambi=1 { N:118.4 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 767 86V-H N 8.22 ambi=1 { N:118.4 } ::sumAvg: 4.61 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 769 86V-HB B 1.87 ambi=1 { CB:31.5 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 769 86V-HB B 1.87 ambi=1 { CB:31.5 } ::sumAvg: 3.86 atom: 769 86V-HB B 1.87 ambi=1 { CB:31.5 } atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } :: atom: 769 86V-HB B 1.87 ambi=1 { CB:31.5 } atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } ::sumAvg: 3.86 atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } :: atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 3.48 atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 736 83L-HD1 D1 1.03 ambi=2 { CD1:22.1 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 737 83L-HD2 D2 0.88 ambi=2 { CD2:25.3 } ::sumAvg: 3.48 atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } atom: 744 84E-H N 7.66 ambi=1 { N:121.5 } :: atom: 757 85L-HB3 B 1.79 ambi=2 { CB:41.8 } atom: 744 84E-H N 7.66 ambi=1 { N:121.5 } ::sumAvg: 4.67 atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 744 84E-H N 7.66 ambi=1 { N:121.5 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 744 84E-H N 7.66 ambi=1 { N:121.5 } ::sumAvg: 4.95 atom: 745 84E-HA A 4.15 ambi=1 { CA:59.5 } atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } ::sumAvg: 4.855 atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } atom: 745 84E-HA A 4.15 ambi=1 { CA:59.5 } ::sumAvg: 4.855 atom: 745 84E-HA A 4.15 ambi=1 { CA:59.5 } atom: 767 86V-H N 8.22 ambi=1 { N:118.4 } ::sumAvg: 4.435 atom: 781 87L-HG G 1.54 ambi=1 { CG:26.8 } atom: 745 84E-HA A 4.15 ambi=1 { CA:59.5 } ::sumAvg: 4.685 atom: 745 84E-HA A 4.15 ambi=1 { CA:59.5 } atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } :: atom: 745 84E-HA A 4.15 ambi=1 { CA:59.5 } atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } ::sumAvg: 3.065 atom: 745 84E-HA A 4.15 ambi=1 { CA:59.5 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } ::sumAvg: 3.75 atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } ::sumAvg: 2.675 atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } ::sumAvg: 4.09 atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } ::sumAvg: 4.09 atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } ::sumAvg: 4.28 atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } ::sumAvg: 4.28 atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } :: atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } ::sumAvg: 4.835 atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } :: atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } ::sumAvg: 4.835 atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 767 86V-H N 8.22 ambi=1 { N:118.4 } ::sumAvg: 4.83 atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 779 87L-HB2 B 1.62 ambi=2 { CB:42.3 } ::sumAvg: 4.3 atom: 779 87L-HB2 B 1.62 ambi=2 { CB:42.3 } atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } ::sumAvg: 4.3 atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } :: atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } ::sumAvg: 4.515 atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } ::sumAvg: 4.52 atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } :: atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } ::sumAvg: 4.32 atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } ::sumAvg: 3.77 atom: 746 84E-QB B 2.09 ambi=2 { CB:28.7 } atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } ::sumAvg: 3.63 atom: 748 84E-QG G 2.3 ambi=2 { CG:35.9 } atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } ::sumAvg: 3.895 atom: 748 84E-QG G 2.3 ambi=2 { CG:35.9 } atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } ::sumAvg: 4.795 atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } atom: 748 84E-QG G 2.3 ambi=2 { CG:35.9 } ::sumAvg: 4.795 atom: 779 87L-HB2 B 1.62 ambi=2 { CB:42.3 } atom: 748 84E-QG G 2.3 ambi=2 { CG:35.9 } ::sumAvg: 4.385 atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } atom: 748 84E-QG G 2.3 ambi=2 { CG:35.9 } :: atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } atom: 748 84E-QG G 2.3 ambi=2 { CG:35.9 } ::sumAvg: 4.055 atom: 748 84E-QG G 2.3 ambi=2 { CG:35.9 } atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } ::sumAvg: 4.74 atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 748 84E-QG G 2.3 ambi=2 { CG:35.9 } ::sumAvg: 4.74 atom: 758 85L-HG G 1.47 ambi=1 { CG:26.8 } atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } ::sumAvg: 3.435 atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } ::sumAvg: 4.24 atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } :: atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } atom: 754 85L-H N 8.1 ambi=1 { N:121.7 } ::sumAvg: 4.48 atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } ::sumAvg: 4.515 atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } ::sumAvg: 4.515 atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } ::sumAvg: 4.76 atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } ::sumAvg: 4.76 atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 4.955 atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } ::sumAvg: 4.955 atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } atom: 777 87L-H N 8.45 ambi=1 { N:120.2 } ::sumAvg: 4.595 atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } ::sumAvg: 3.715 atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } :: atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } ::sumAvg: 3.065 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } ::sumAvg: 3.065 atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } ::sumAvg: 4.065 atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } ::sumAvg: 4.065 atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } ::sumAvg: 4.265 atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } ::sumAvg: 4.945 atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } ::sumAvg: 4.945 atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } ::sumAvg: 4.335 atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } ::sumAvg: 4.315 atom: 939 102I-HB B 1.55 ambi=1 { CB:37.7 } atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } ::sumAvg: 4.855 atom: 755 85L-HA A 3.6 ambi=1 { CA:59.3 } atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } ::sumAvg: 4.52 atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } :: atom: 757 85L-HB3 B 1.79 ambi=2 { CB:41.8 } atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } ::sumAvg: 4.315 atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } :: atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } atom: 757 85L-HB3 B 1.79 ambi=2 { CB:41.8 } ::sumAvg: 4.315 atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } :: atom: 757 85L-HB3 B 1.79 ambi=2 { CB:41.8 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 757 85L-HB3 B 1.79 ambi=2 { CB:41.8 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 3.165 atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } :: atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 757 85L-HB3 B 1.79 ambi=2 { CB:41.8 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 757 85L-HB3 B 1.79 ambi=2 { CB:41.8 } ::sumAvg: 3.165 atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } atom: 777 87L-H N 8.45 ambi=1 { N:120.2 } :: atom: 757 85L-HB3 B 1.79 ambi=2 { CB:41.8 } atom: 777 87L-H N 8.45 ambi=1 { N:120.2 } ::sumAvg: 4.955 atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } :: atom: 757 85L-HB3 B 1.79 ambi=2 { CB:41.8 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } ::sumAvg: 4.74 atom: 756 85L-HB2 B 1.56 ambi=2 { CB:41.8 } atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } :: atom: 757 85L-HB3 B 1.79 ambi=2 { CB:41.8 } atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } ::sumAvg: 4.7 atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } atom: 758 85L-HG G 1.47 ambi=1 { CG:26.8 } ::sumAvg: 4.885 atom: 758 85L-HG G 1.47 ambi=1 { CG:26.8 } atom: 767 86V-H N 8.22 ambi=1 { N:118.4 } ::sumAvg: 4.05 atom: 758 85L-HG G 1.47 ambi=1 { CG:26.8 } atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } ::sumAvg: 4.955 atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } atom: 758 85L-HG G 1.47 ambi=1 { CG:26.8 } ::sumAvg: 4.955 atom: 758 85L-HG G 1.47 ambi=1 { CG:26.8 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } ::sumAvg: 4.96 atom: 758 85L-HG G 1.47 ambi=1 { CG:26.8 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } ::sumAvg: 3.905 atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 758 85L-HG G 1.47 ambi=1 { CG:26.8 } ::sumAvg: 3.27 atom: 804 89S-HA A 4.08 ambi=1 { CA:61.9 } atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } :: atom: 804 89S-HA A 4.08 ambi=1 { CA:61.9 } atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } ::sumAvg: 4.74 atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } :: atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } ::sumAvg: 3.35 atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } ::sumAvg: 3.57 atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } :: atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } ::sumAvg: 4.84 atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } :: atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } :: atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } :: atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } ::sumAvg: 3.765 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } :: atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } ::sumAvg: 3.765 atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } :: atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } ::sumAvg: 4.93 atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } :: atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } ::sumAvg: 4.93 atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } :: atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } ::sumAvg: 4.36 atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } :: atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } ::sumAvg: 3.47 atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } atom: 938 102I-HA A 3.69 ambi=1 { CA:65 } :: atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } atom: 938 102I-HA A 3.69 ambi=1 { CA:65 } ::sumAvg: 4.765 atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } atom: 941 102I-HG13 G1 1.37 ambi=2 { CG1:27.4 } :: atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } atom: 941 102I-HG13 G1 1.37 ambi=2 { CG1:27.4 } ::sumAvg: 4.645 atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } atom: 953 103T-HG1 G1 3.26 ambi=1 {attached_atom is not_assigned} :: atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } atom: 953 103T-HG1 G1 3.26 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.92 atom: 759 85L-HD1 D1 0.7 ambi=2 { CD1:28.3 } atom: 976 106V-H N 8.29 ambi=1 { N:122.1 } :: atom: 760 85L-HD2 D2 0.72 ambi=2 { CD2:23.4 } atom: 976 106V-H N 8.29 ambi=1 { N:122.1 } ::sumAvg: 4.905 atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } atom: 767 86V-H N 8.22 ambi=1 { N:118.4 } ::sumAvg: 4.945 atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 767 86V-H N 8.22 ambi=1 { N:118.4 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 767 86V-H N 8.22 ambi=1 { N:118.4 } ::sumAvg: 2.14 atom: 779 87L-HB2 B 1.62 ambi=2 { CB:42.3 } atom: 767 86V-H N 8.22 ambi=1 { N:118.4 } :: atom: 780 87L-HB3 B 2.01 ambi=2 { CB:42.3 } atom: 767 86V-H N 8.22 ambi=1 { N:118.4 } ::sumAvg: 4.66 atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } ::sumAvg: 3.2 atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } ::sumAvg: 2.33 atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } atom: 777 87L-H N 8.45 ambi=1 { N:120.2 } ::sumAvg: 3.505 atom: 778 87L-HA A 3.96 ambi=1 { CA:59.1 } atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } ::sumAvg: 4.785 atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } ::sumAvg: 4.495 atom: 768 86V-HA A 3.1 ambi=1 { CA:67.2 } atom: 810 90Y-H N 7.33 ambi=1 { N:116 } ::sumAvg: 4.74 atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } ::sumAvg: 4.44 atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } ::sumAvg: 1.8 atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 778 87L-HA A 3.96 ambi=1 { CA:59.1 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 778 87L-HA A 3.96 ambi=1 { CA:59.1 } ::sumAvg: 3.255 atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 779 87L-HB2 B 1.62 ambi=2 { CB:42.3 } :: atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 780 87L-HB3 B 2.01 ambi=2 { CB:42.3 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 779 87L-HB2 B 1.62 ambi=2 { CB:42.3 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 780 87L-HB3 B 2.01 ambi=2 { CB:42.3 } ::sumAvg: 4.105 atom: 779 87L-HB2 B 1.62 ambi=2 { CB:42.3 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 780 87L-HB3 B 2.01 ambi=2 { CB:42.3 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 779 87L-HB2 B 1.62 ambi=2 { CB:42.3 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } :: atom: 780 87L-HB3 B 2.01 ambi=2 { CB:42.3 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 4.105 atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 781 87L-HG G 1.54 ambi=1 { CG:26.8 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 781 87L-HG G 1.54 ambi=1 { CG:26.8 } ::sumAvg: 4.345 atom: 781 87L-HG G 1.54 ambi=1 { CG:26.8 } atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } :: atom: 781 87L-HG G 1.54 ambi=1 { CG:26.8 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 4.345 atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } ::sumAvg: 4.3 atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } :: atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } ::sumAvg: 4.3 atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } ::sumAvg: 4.78 atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } ::sumAvg: 4.755 atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } ::sumAvg: 4.83 atom: 770 86V-HG1 G1 0.81 ambi=2 { CG1:22 } atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } :: atom: 771 86V-HG2 G2 0.29 ambi=2 { CG2:21.2 } atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } ::sumAvg: 4.46 atom: 781 87L-HG G 1.54 ambi=1 { CG:26.8 } atom: 777 87L-H N 8.45 ambi=1 { N:120.2 } ::sumAvg: 3.42 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 777 87L-H N 8.45 ambi=1 { N:120.2 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 777 87L-H N 8.45 ambi=1 { N:120.2 } ::sumAvg: 4.9 atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 777 87L-H N 8.45 ambi=1 { N:120.2 } ::sumAvg: 4.535 atom: 778 87L-HA A 3.96 ambi=1 { CA:59.1 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } ::sumAvg: 3.515 atom: 778 87L-HA A 3.96 ambi=1 { CA:59.1 } atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } ::sumAvg: 4.18 atom: 778 87L-HA A 3.96 ambi=1 { CA:59.1 } atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } :: atom: 778 87L-HA A 3.96 ambi=1 { CA:59.1 } atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } ::sumAvg: 4.54 atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } atom: 778 87L-HA A 3.96 ambi=1 { CA:59.1 } :: atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 778 87L-HA A 3.96 ambi=1 { CA:59.1 } ::sumAvg: 4.54 atom: 778 87L-HA A 3.96 ambi=1 { CA:59.1 } atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } ::sumAvg: 4.15 atom: 778 87L-HA A 3.96 ambi=1 { CA:59.1 } atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } ::sumAvg: 4.79 atom: 779 87L-HB2 B 1.62 ambi=2 { CB:42.3 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } :: atom: 780 87L-HB3 B 2.01 ambi=2 { CB:42.3 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } ::sumAvg: 2.645 atom: 791 88Q-HA A 4.18 ambi=1 { CA:57.3 } atom: 779 87L-HB2 B 1.62 ambi=2 { CB:42.3 } :: atom: 791 88Q-HA A 4.18 ambi=1 { CA:57.3 } atom: 780 87L-HB3 B 2.01 ambi=2 { CB:42.3 } ::sumAvg: 4.245 atom: 779 87L-HB2 B 1.62 ambi=2 { CB:42.3 } atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } :: atom: 779 87L-HB2 B 1.62 ambi=2 { CB:42.3 } atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } :: atom: 780 87L-HB3 B 2.01 ambi=2 { CB:42.3 } atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } ::sumAvg: 4.635 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 779 87L-HB2 B 1.62 ambi=2 { CB:42.3 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 779 87L-HB2 B 1.62 ambi=2 { CB:42.3 } :: atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 780 87L-HB3 B 2.01 ambi=2 { CB:42.3 } ::sumAvg: 4.635 atom: 779 87L-HB2 B 1.62 ambi=2 { CB:42.3 } atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } ::sumAvg: 3.325 atom: 779 87L-HB2 B 1.62 ambi=2 { CB:42.3 } atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } :: atom: 780 87L-HB3 B 2.01 ambi=2 { CB:42.3 } atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } ::sumAvg: 4.775 atom: 781 87L-HG G 1.54 ambi=1 { CG:26.8 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } ::sumAvg: 4.1 atom: 781 87L-HG G 1.54 ambi=1 { CG:26.8 } atom: 791 88Q-HA A 4.18 ambi=1 { CA:57.3 } ::sumAvg: 4.86 atom: 791 88Q-HA A 4.18 ambi=1 { CA:57.3 } atom: 781 87L-HG G 1.54 ambi=1 { CG:26.8 } ::sumAvg: 4.86 atom: 781 87L-HG G 1.54 ambi=1 { CG:26.8 } atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } ::sumAvg: 4.36 atom: 791 88Q-HA A 4.18 ambi=1 { CA:57.3 } atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } :: atom: 791 88Q-HA A 4.18 ambi=1 { CA:57.3 } atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } ::sumAvg: 4.13 atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } :: atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } ::sumAvg: 3.9 atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } :: atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } ::sumAvg: 3.9 atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } :: atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } :: atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } :: atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } ::sumAvg: 4.735 atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } :: atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } ::sumAvg: 4.87 atom: 782 87L-HD1 D1 0.93 ambi=2 { CD1:23.1 } atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } :: atom: 783 87L-HD2 D2 1.01 ambi=2 { CD2:25.7 } atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } ::sumAvg: 4.82 atom: 804 89S-HA A 4.08 ambi=1 { CA:61.9 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } ::sumAvg: 4.88 atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } ::sumAvg: 4.395 atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } ::sumAvg: 2.595 atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } :: atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } atom: 790 88Q-H N 9.35 ambi=1 { N:114.9 } ::sumAvg: 4.52 atom: 791 88Q-HA A 4.18 ambi=1 { CA:57.3 } atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } :: atom: 791 88Q-HA A 4.18 ambi=1 { CA:57.3 } atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } ::sumAvg: 4.405 atom: 791 88Q-HA A 4.18 ambi=1 { CA:57.3 } atom: 810 90Y-H N 7.33 ambi=1 { N:116 } ::sumAvg: 3.905 atom: 791 88Q-HA A 4.18 ambi=1 { CA:57.3 } atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } ::sumAvg: 3.17 atom: 825 91V-HB B 1.93 ambi=1 { CB:32.7 } atom: 791 88Q-HA A 4.18 ambi=1 { CA:57.3 } ::sumAvg: 3.48 atom: 791 88Q-HA A 4.18 ambi=1 { CA:57.3 } atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } :: atom: 791 88Q-HA A 4.18 ambi=1 { CA:57.3 } atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } ::sumAvg: 2.89 atom: 791 88Q-HA A 4.18 ambi=1 { CA:57.3 } atom: 833 92H-H N 8.6 ambi=1 { N:114.5 } ::sumAvg: 3.13 atom: 791 88Q-HA A 4.18 ambi=1 { CA:57.3 } atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } ::sumAvg: 3.195 atom: 791 88Q-HA A 4.18 ambi=1 { CA:57.3 } atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } ::sumAvg: 3.915 atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } atom: 791 88Q-HA A 4.18 ambi=1 { CA:57.3 } ::sumAvg: 3.915 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 804 89S-HA A 4.08 ambi=1 { CA:61.9 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 804 89S-HA A 4.08 ambi=1 { CA:61.9 } ::sumAvg: 4.385 atom: 804 89S-HA A 4.08 ambi=1 { CA:61.9 } atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } :: atom: 804 89S-HA A 4.08 ambi=1 { CA:61.9 } atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } ::sumAvg: 4.385 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } ::sumAvg: 4.525 atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } :: atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } ::sumAvg: 4.525 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } :: atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } ::sumAvg: 4.02 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } :: atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } ::sumAvg: 4.51 atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } :: atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } :: atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } :: atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } ::sumAvg: 4.51 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 833 92H-H N 8.6 ambi=1 { N:114.5 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 833 92H-H N 8.6 ambi=1 { N:114.5 } ::sumAvg: 4.05 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } ::sumAvg: 4.21 atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } :: atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } ::sumAvg: 4.21 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } ::sumAvg: 3.295 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } ::sumAvg: 4.06 atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } :: atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } ::sumAvg: 4.06 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } ::sumAvg: 4.17 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } ::sumAvg: 4.1 atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } ::sumAvg: 4.1 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } :: atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } ::sumAvg: 3.71 atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } :: atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } :: atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } :: atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } ::sumAvg: 3.71 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } ::sumAvg: 3.86 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } ::sumAvg: 3.925 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } ::sumAvg: 4.075 atom: 792 88Q-HB2 B 2.41 ambi=2 { CB:25.4 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } :: atom: 793 88Q-HB3 B 2.23 ambi=2 { CB:25.4 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } ::sumAvg: 4.69 atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } ::sumAvg: 4.41 atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } :: atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } ::sumAvg: 4.32 atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } :: atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } ::sumAvg: 4.32 atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } ::sumAvg: 3.905 atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } ::sumAvg: 3.665 atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } ::sumAvg: 3.665 atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 846 93H-HD2 D2 6.89 ambi=1 { CD2:118.6 } ::sumAvg: 4.995 atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } ::sumAvg: 4.53 atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } ::sumAvg: 4.46 atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } ::sumAvg: 4.46 atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } :: atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } ::sumAvg: 3.925 atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } :: atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } ::sumAvg: 3.925 atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } ::sumAvg: 4.06 atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } ::sumAvg: 3.635 atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } ::sumAvg: 4.595 atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } ::sumAvg: 4.28 atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } atom: 794 88Q-QG G 2.37 ambi=2 { CG:34.1 } ::sumAvg: 4.28 atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } :: atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } :: atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } :: atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } ::sumAvg: 4.245 atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } :: atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } ::sumAvg: 3.46 atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } :: atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } ::sumAvg: 4.43 atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } atom: 796 88Q-HE21 E2 7.55 ambi=2 { NE2:111.3 } :: atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } atom: 797 88Q-HE22 E2 6.83 ambi=2 { NE2:111.3 } ::sumAvg: 4.9 atom: 805 89S-QB B 4 ambi=2 { CB:62.2 } atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } ::sumAvg: 2.37 atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } :: atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } ::sumAvg: 4.71 atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } :: atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } atom: 803 89S-H N 8.68 ambi=1 { N:117.5 } ::sumAvg: 4.75 atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } :: atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } ::sumAvg: 4.455 atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } :: atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } ::sumAvg: 2.46 atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } :: atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } ::sumAvg: 2.765 atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } atom: 824 91V-HA A 4.01 ambi=1 { CA:62.6 } :: atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 824 91V-HA A 4.01 ambi=1 { CA:62.6 } ::sumAvg: 4.2 atom: 824 91V-HA A 4.01 ambi=1 { CA:62.6 } atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } :: atom: 824 91V-HA A 4.01 ambi=1 { CA:62.6 } atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } ::sumAvg: 4.2 atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } atom: 825 91V-HB B 1.93 ambi=1 { CB:32.7 } :: atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 825 91V-HB B 1.93 ambi=1 { CB:32.7 } ::sumAvg: 4.975 atom: 825 91V-HB B 1.93 ambi=1 { CB:32.7 } atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } :: atom: 825 91V-HB B 1.93 ambi=1 { CB:32.7 } atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } ::sumAvg: 4.975 atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } :: atom: 812 90Y-HB2 B 2.76 ambi=2 { CB:41.4 } atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } :: atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } :: atom: 813 90Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } ::sumAvg: 3.47 atom: 824 91V-HA A 4.01 ambi=1 { CA:62.6 } atom: 810 90Y-H N 7.33 ambi=1 { N:116 } ::sumAvg: 4.945 atom: 811 90Y-HA A 4.32 ambi=1 { CA:59.7 } atom: 816 90Y-QE E 6.13 ambi=3 { CE1:116.4 } ::sumAvg: 4.415 atom: 811 90Y-HA A 4.32 ambi=1 { CA:59.7 } atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } ::sumAvg: 2.445 atom: 811 90Y-HA A 4.32 ambi=1 { CA:59.7 } atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } ::sumAvg: 3.515 atom: 811 90Y-HA A 4.32 ambi=1 { CA:59.7 } atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } :: atom: 811 90Y-HA A 4.32 ambi=1 { CA:59.7 } atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } ::sumAvg: 4.86 atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } atom: 811 90Y-HA A 4.32 ambi=1 { CA:59.7 } :: atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } atom: 811 90Y-HA A 4.32 ambi=1 { CA:59.7 } ::sumAvg: 4.86 atom: 811 90Y-HA A 4.32 ambi=1 { CA:59.7 } atom: 833 92H-H N 8.6 ambi=1 { N:114.5 } ::sumAvg: 4.29 atom: 824 91V-HA A 4.01 ambi=1 { CA:62.6 } atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } ::sumAvg: 4.725 atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } :: atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } atom: 814 90Y-QD D 6.39 ambi=3 { CD1:132.4 } ::sumAvg: 4.25 atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } atom: 823 91V-H N 7.73 ambi=1 { N:110.5 } ::sumAvg: 4.59 atom: 824 91V-HA A 4.01 ambi=1 { CA:62.6 } atom: 835 92H-HB2 B 2.91 ambi=2 { CB:29.2 } :: atom: 824 91V-HA A 4.01 ambi=1 { CA:62.6 } atom: 836 92H-HB3 B 3.26 ambi=2 { CB:29.2 } ::sumAvg: 4.745 atom: 835 92H-HB2 B 2.91 ambi=2 { CB:29.2 } atom: 824 91V-HA A 4.01 ambi=1 { CA:62.6 } :: atom: 836 92H-HB3 B 3.26 ambi=2 { CB:29.2 } atom: 824 91V-HA A 4.01 ambi=1 { CA:62.6 } ::sumAvg: 4.745 atom: 825 91V-HB B 1.93 ambi=1 { CB:32.7 } atom: 833 92H-H N 8.6 ambi=1 { N:114.5 } ::sumAvg: 3.42 atom: 825 91V-HB B 1.93 ambi=1 { CB:32.7 } atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } ::sumAvg: 4.105 atom: 825 91V-HB B 1.93 ambi=1 { CB:32.7 } atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } ::sumAvg: 4.325 atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } atom: 825 91V-HB B 1.93 ambi=1 { CB:32.7 } ::sumAvg: 4.325 atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } :: atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } ::sumAvg: 3.945 atom: 835 92H-HB2 B 2.91 ambi=2 { CB:29.2 } atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } :: atom: 836 92H-HB3 B 3.26 ambi=2 { CB:29.2 } atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } :: atom: 835 92H-HB2 B 2.91 ambi=2 { CB:29.2 } atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } :: atom: 836 92H-HB3 B 3.26 ambi=2 { CB:29.2 } atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } ::sumAvg: 4.43 atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } atom: 843 93H-HA A 4.78 ambi=1 { CA:57.6 } :: atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } atom: 843 93H-HA A 4.78 ambi=1 { CA:57.6 } ::sumAvg: 3.62 atom: 843 93H-HA A 4.78 ambi=1 { CA:57.6 } atom: 826 91V-HG1 G1 0.91 ambi=2 { CG1:21.7 } :: atom: 843 93H-HA A 4.78 ambi=1 { CA:57.6 } atom: 827 91V-HG2 G2 0.85 ambi=2 { CG2:20.2 } ::sumAvg: 3.62 atom: 835 92H-HB2 B 2.91 ambi=2 { CB:29.2 } atom: 833 92H-H N 8.6 ambi=1 { N:114.5 } :: atom: 836 92H-HB3 B 3.26 ambi=2 { CB:29.2 } atom: 833 92H-H N 8.6 ambi=1 { N:114.5 } ::sumAvg: 3.26 atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } atom: 833 92H-H N 8.6 ambi=1 { N:114.5 } ::sumAvg: 4.79 atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } atom: 837 92H-HD2 D2 6.96 ambi=1 { CD2:117.7 } ::sumAvg: 4.045 atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } atom: 843 93H-HA A 4.78 ambi=1 { CA:57.6 } ::sumAvg: 4.53 atom: 843 93H-HA A 4.78 ambi=1 { CA:57.6 } atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } ::sumAvg: 4.53 atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } ::sumAvg: 4.755 atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } ::sumAvg: 3.525 atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } :: atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } ::sumAvg: 4.85 atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } :: atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } ::sumAvg: 4.85 atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } ::sumAvg: 4.35 atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } ::sumAvg: 4.35 atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } atom: 834 92H-HA A 4.28 ambi=1 { CA:56 } ::sumAvg: 4.915 atom: 835 92H-HB2 B 2.91 ambi=2 { CB:29.2 } atom: 837 92H-HD2 D2 6.96 ambi=1 { CD2:117.7 } :: atom: 836 92H-HB3 B 3.26 ambi=2 { CB:29.2 } atom: 837 92H-HD2 D2 6.96 ambi=1 { CD2:117.7 } ::sumAvg: 2.87 atom: 835 92H-HB2 B 2.91 ambi=2 { CB:29.2 } atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } :: atom: 836 92H-HB3 B 3.26 ambi=2 { CB:29.2 } atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } ::sumAvg: 4.215 atom: 835 92H-HB2 B 2.91 ambi=2 { CB:29.2 } atom: 843 93H-HA A 4.78 ambi=1 { CA:57.6 } :: atom: 836 92H-HB3 B 3.26 ambi=2 { CB:29.2 } atom: 843 93H-HA A 4.78 ambi=1 { CA:57.6 } ::sumAvg: 4.795 atom: 835 92H-HB2 B 2.91 ambi=2 { CB:29.2 } atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } :: atom: 836 92H-HB3 B 3.26 ambi=2 { CB:29.2 } atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } ::sumAvg: 4.795 atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } :: atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } ::sumAvg: 4.895 atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } ::sumAvg: 4.625 atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } atom: 842 93H-H N 8.35 ambi=1 { N:118.2 } ::sumAvg: 4.765 atom: 843 93H-HA A 4.78 ambi=1 { CA:57.6 } atom: 846 93H-HD2 D2 6.89 ambi=1 { CD2:118.6 } ::sumAvg: 3.535 atom: 843 93H-HA A 4.78 ambi=1 { CA:57.6 } atom: 852 94I-HA A 4.37 ambi=1 { CA:60.9 } ::sumAvg: 4.585 atom: 852 94I-HA A 4.37 ambi=1 { CA:60.9 } atom: 843 93H-HA A 4.78 ambi=1 { CA:57.6 } ::sumAvg: 4.585 atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } atom: 852 94I-HA A 4.37 ambi=1 { CA:60.9 } ::sumAvg: 4.39 atom: 852 94I-HA A 4.37 ambi=1 { CA:60.9 } atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } ::sumAvg: 4.39 atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } :: atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } ::sumAvg: 4.615 atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } :: atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } ::sumAvg: 4.615 atom: 844 93H-QB B 3.28 ambi=2 { CB:31.9 } atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } ::sumAvg: 3.97 atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } ::sumAvg: 3.12 atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } :: atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } atom: 851 94I-H N 7.47 ambi=1 { N:111.4 } ::sumAvg: 3.23 atom: 852 94I-HA A 4.37 ambi=1 { CA:60.9 } atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } ::sumAvg: 3.055 atom: 852 94I-HA A 4.37 ambi=1 { CA:60.9 } atom: 864 95H-H N 6.99 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.745 atom: 852 94I-HA A 4.37 ambi=1 { CA:60.9 } atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } ::sumAvg: 3.815 atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } atom: 852 94I-HA A 4.37 ambi=1 { CA:60.9 } ::sumAvg: 3.815 atom: 852 94I-HA A 4.37 ambi=1 { CA:60.9 } atom: 890 98R-QG G 1.61 ambi=2 { CG:27 } ::sumAvg: 4.96 atom: 852 94I-HA A 4.37 ambi=1 { CA:60.9 } atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } ::sumAvg: 4.58 atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } atom: 852 94I-HA A 4.37 ambi=1 { CA:60.9 } ::sumAvg: 4.58 atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } :: atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } ::sumAvg: 2.475 atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } ::sumAvg: 2.345 atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } atom: 864 95H-H N 6.99 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.215 atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } ::sumAvg: 4.615 atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } ::sumAvg: 4.615 atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } atom: 899 99F-H N 8.26 ambi=1 { N:119.1 } ::sumAvg: 4.67 atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } ::sumAvg: 4.695 atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } ::sumAvg: 4.695 atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } ::sumAvg: 3.665 atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } ::sumAvg: 3.665 atom: 853 94I-HB B 1.96 ambi=1 { CB:39.6 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } ::sumAvg: 4.025 atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } atom: 864 95H-H N 6.99 ambi=1 {attached_atom is not_assigned} :: atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } atom: 864 95H-H N 6.99 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.255 atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } ::sumAvg: 3.84 atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } ::sumAvg: 3.84 atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } atom: 899 99F-H N 8.26 ambi=1 { N:119.1 } :: atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } atom: 899 99F-H N 8.26 ambi=1 { N:119.1 } ::sumAvg: 4.1 atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } :: atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } ::sumAvg: 4.65 atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } :: atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } :: atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } :: atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } ::sumAvg: 3.625 atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } :: atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } :: atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } :: atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } ::sumAvg: 3.625 atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } :: atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } ::sumAvg: 3.91 atom: 854 94I-HG12 G1 1.53 ambi=2 { CG1:27.2 } atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } :: atom: 855 94I-HG13 G1 1.28 ambi=2 { CG1:27.2 } atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } ::sumAvg: 4.92 atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } ::sumAvg: 4.955 atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } ::sumAvg: 3.85 atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } ::sumAvg: 3.85 atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } atom: 890 98R-QG G 1.61 ambi=2 { CG:27 } ::sumAvg: 4.795 atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } ::sumAvg: 4.525 atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } ::sumAvg: 4.525 atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } atom: 899 99F-H N 8.26 ambi=1 { N:119.1 } ::sumAvg: 3.915 atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } ::sumAvg: 4.375 atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } :: atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } ::sumAvg: 3.49 atom: 856 94I-HG2 G2 1.04 ambi=1 { CG2:17.7 } atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } ::sumAvg: 4.23 atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } atom: 864 95H-H N 6.99 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.02 atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } ::sumAvg: 4.375 atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } ::sumAvg: 3.86 atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } ::sumAvg: 3.86 atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } ::sumAvg: 4.775 atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } ::sumAvg: 4.775 atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } :: atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } ::sumAvg: 3.19 atom: 857 94I-HD1 D1 0.88 ambi=1 { CD1:14.1 } atom: 914 100K-H N 8.5 ambi=1 { N:121.7 } ::sumAvg: 4.87 atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } atom: 864 95H-H N 6.99 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.04 atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } atom: 864 95H-H N 6.99 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.915 atom: 873 97K-QB B 1.96 ambi=2 { CB:32 } atom: 865 96K-HA A 4.04 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.89 atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } atom: 865 96K-HA A 4.04 ambi=1 {attached_atom is not_assigned} :: atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } atom: 865 96K-HA A 4.04 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.715 atom: 872 97K-HA A 4.13 ambi=1 { CA:59.4 } atom: 879 97K-QE E 2.98 ambi=2 { CE:42.1 } ::sumAvg: 4.69 atom: 872 97K-HA A 4.13 ambi=1 { CA:59.4 } atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } ::sumAvg: 3.315 atom: 872 97K-HA A 4.13 ambi=1 { CA:59.4 } atom: 899 99F-H N 8.26 ambi=1 { N:119.1 } ::sumAvg: 4.215 atom: 872 97K-HA A 4.13 ambi=1 { CA:59.4 } atom: 920 100K-HD2 D 1.71 ambi=2 { CD:29 } :: atom: 872 97K-HA A 4.13 ambi=1 { CA:59.4 } atom: 921 100K-HD3 D 1.74 ambi=2 { CD:29 } ::sumAvg: 3.6 atom: 873 97K-QB B 1.96 ambi=2 { CB:32 } atom: 899 99F-H N 8.26 ambi=1 { N:119.1 } ::sumAvg: 4.615 atom: 877 97K-QD D 1.63 ambi=2 { CD:28.8 } atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } ::sumAvg: 4.855 atom: 887 98R-HA A 4.15 ambi=1 { CA:57.9 } atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } ::sumAvg: 2.775 atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } ::sumAvg: 2.305 atom: 890 98R-QG G 1.61 ambi=2 { CG:27 } atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } ::sumAvg: 3.255 atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } ::sumAvg: 4.155 atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } :: atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } atom: 886 98R-H N 7.15 ambi=1 { N:118.5 } ::sumAvg: 4.96 atom: 890 98R-QG G 1.61 ambi=2 { CG:27 } atom: 887 98R-HA A 4.15 ambi=1 { CA:57.9 } ::sumAvg: 2.62 atom: 887 98R-HA A 4.15 ambi=1 { CA:57.9 } atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } ::sumAvg: 3.025 atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } atom: 887 98R-HA A 4.15 ambi=1 { CA:57.9 } ::sumAvg: 3.025 atom: 887 98R-HA A 4.15 ambi=1 { CA:57.9 } atom: 899 99F-H N 8.26 ambi=1 { N:119.1 } ::sumAvg: 3.515 atom: 887 98R-HA A 4.15 ambi=1 { CA:57.9 } atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } ::sumAvg: 4.765 atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } atom: 887 98R-HA A 4.15 ambi=1 { CA:57.9 } ::sumAvg: 4.765 atom: 887 98R-HA A 4.15 ambi=1 { CA:57.9 } atom: 914 100K-H N 8.5 ambi=1 { N:121.7 } ::sumAvg: 4.45 atom: 887 98R-HA A 4.15 ambi=1 { CA:57.9 } atom: 937 102I-H N 8.22 ambi=1 { N:118.8 } ::sumAvg: 4.455 atom: 940 102I-HG12 G1 1.06 ambi=2 { CG1:27.4 } atom: 887 98R-HA A 4.15 ambi=1 { CA:57.9 } :: atom: 941 102I-HG13 G1 1.37 ambi=2 { CG1:27.4 } atom: 887 98R-HA A 4.15 ambi=1 { CA:57.9 } ::sumAvg: 4.605 atom: 887 98R-HA A 4.15 ambi=1 { CA:57.9 } atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } ::sumAvg: 4.795 atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } atom: 887 98R-HA A 4.15 ambi=1 { CA:57.9 } ::sumAvg: 4.795 atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } atom: 899 99F-H N 8.26 ambi=1 { N:119.1 } ::sumAvg: 2.725 atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } ::sumAvg: 4.075 atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } ::sumAvg: 4.075 atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } :: atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } ::sumAvg: 4.395 atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } :: atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } ::sumAvg: 4.395 atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } atom: 914 100K-H N 8.5 ambi=1 { N:121.7 } ::sumAvg: 4.86 atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } atom: 930 101D-H N 8.15 ambi=1 { N:119.8 } ::sumAvg: 4.885 atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } :: atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } ::sumAvg: 4.295 atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } :: atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } ::sumAvg: 4.295 atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } atom: 937 102I-H N 8.22 ambi=1 { N:118.8 } ::sumAvg: 4.92 atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } atom: 940 102I-HG12 G1 1.06 ambi=2 { CG1:27.4 } ::sumAvg: 4.215 atom: 940 102I-HG12 G1 1.06 ambi=2 { CG1:27.4 } atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } ::sumAvg: 4.215 atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } ::sumAvg: 3.805 atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } atom: 888 98R-QB B 1.74 ambi=2 { CB:28.6 } ::sumAvg: 3.805 atom: 890 98R-QG G 1.61 ambi=2 { CG:27 } atom: 899 99F-H N 8.26 ambi=1 { N:119.1 } ::sumAvg: 3.975 atom: 890 98R-QG G 1.61 ambi=2 { CG:27 } atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } ::sumAvg: 4.76 atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } atom: 890 98R-QG G 1.61 ambi=2 { CG:27 } ::sumAvg: 4.76 atom: 890 98R-QG G 1.61 ambi=2 { CG:27 } atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } :: atom: 890 98R-QG G 1.61 ambi=2 { CG:27 } atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } ::sumAvg: 4.23 atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } atom: 890 98R-QG G 1.61 ambi=2 { CG:27 } :: atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } atom: 890 98R-QG G 1.61 ambi=2 { CG:27 } ::sumAvg: 4.23 atom: 890 98R-QG G 1.61 ambi=2 { CG:27 } atom: 940 102I-HG12 G1 1.06 ambi=2 { CG1:27.4 } ::sumAvg: 4.58 atom: 940 102I-HG12 G1 1.06 ambi=2 { CG1:27.4 } atom: 890 98R-QG G 1.61 ambi=2 { CG:27 } ::sumAvg: 4.58 atom: 890 98R-QG G 1.61 ambi=2 { CG:27 } atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } ::sumAvg: 4.145 atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } atom: 890 98R-QG G 1.61 ambi=2 { CG:27 } ::sumAvg: 4.145 atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } ::sumAvg: 4.38 atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } ::sumAvg: 4.38 atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } atom: 940 102I-HG12 G1 1.06 ambi=2 { CG1:27.4 } :: atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } atom: 941 102I-HG13 G1 1.37 ambi=2 { CG1:27.4 } ::sumAvg: 4.96 atom: 940 102I-HG12 G1 1.06 ambi=2 { CG1:27.4 } atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } :: atom: 941 102I-HG13 G1 1.37 ambi=2 { CG1:27.4 } atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } ::sumAvg: 4.96 atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } ::sumAvg: 4.68 atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } atom: 892 98R-QD D 3.17 ambi=2 { CD:43.1 } ::sumAvg: 4.68 atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } ::sumAvg: 4.57 atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } atom: 914 100K-H N 8.5 ambi=1 { N:121.7 } ::sumAvg: 3.535 atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } atom: 915 100K-HA A 3.98 ambi=1 { CA:59.3 } ::sumAvg: 4.78 atom: 915 100K-HA A 3.98 ambi=1 { CA:59.3 } atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } ::sumAvg: 4.78 atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } atom: 930 101D-H N 8.15 ambi=1 { N:119.8 } ::sumAvg: 4.375 atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } ::sumAvg: 4.085 atom: 900 99F-HA A 3.45 ambi=1 { CA:62.7 } atom: 950 103T-H N 7.93 ambi=1 { N:117.9 } ::sumAvg: 4.275 atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } :: atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } ::sumAvg: 4.37 atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } atom: 914 100K-H N 8.5 ambi=1 { N:121.7 } :: atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } atom: 914 100K-H N 8.5 ambi=1 { N:121.7 } ::sumAvg: 2.605 atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } atom: 915 100K-HA A 3.98 ambi=1 { CA:59.3 } :: atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } atom: 915 100K-HA A 3.98 ambi=1 { CA:59.3 } ::sumAvg: 4.25 atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } atom: 916 100K-HB2 B 1.97 ambi=2 { CB:31.9 } :: atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } atom: 917 100K-HB3 B 2.02 ambi=2 { CB:31.9 } ::sumAvg: 4.49 atom: 916 100K-HB2 B 1.97 ambi=2 { CB:31.9 } atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } :: atom: 917 100K-HB3 B 2.02 ambi=2 { CB:31.9 } atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } ::sumAvg: 4.49 atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } atom: 918 100K-HG2 G 1.46 ambi=2 { CG:24.8 } :: atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } atom: 919 100K-HG3 G 1.52 ambi=2 { CG:24.8 } :: atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } atom: 918 100K-HG2 G 1.46 ambi=2 { CG:24.8 } :: atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } atom: 919 100K-HG3 G 1.52 ambi=2 { CG:24.8 } ::sumAvg: 4.82 atom: 918 100K-HG2 G 1.46 ambi=2 { CG:24.8 } atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } :: atom: 919 100K-HG3 G 1.52 ambi=2 { CG:24.8 } atom: 901 99F-HB2 B 2.2 ambi=2 { CB:39.2 } :: atom: 918 100K-HG2 G 1.46 ambi=2 { CG:24.8 } atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } :: atom: 919 100K-HG3 G 1.52 ambi=2 { CG:24.8 } atom: 902 99F-HB3 B 2.53 ambi=2 { CB:39.2 } ::sumAvg: 4.82 atom: 915 100K-HA A 3.98 ambi=1 { CA:59.3 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } ::sumAvg: 3.45 atom: 916 100K-HB2 B 1.97 ambi=2 { CB:31.9 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } :: atom: 917 100K-HB3 B 2.02 ambi=2 { CB:31.9 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } ::sumAvg: 4.395 atom: 918 100K-HG2 G 1.46 ambi=2 { CG:24.8 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } :: atom: 919 100K-HG3 G 1.52 ambi=2 { CG:24.8 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } ::sumAvg: 4.35 atom: 939 102I-HB B 1.55 ambi=1 { CB:37.7 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } ::sumAvg: 4.325 atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } ::sumAvg: 4.55 atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } ::sumAvg: 4.455 atom: 952 103T-HB B 4.09 ambi=1 { CB:67.7 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } ::sumAvg: 4.745 atom: 954 103T-HG2 G2 1 ambi=1 { CG2:21.1 } atom: 903 99F-QD D 6.45 ambi=3 { CD1:130.2 } ::sumAvg: 4.99 atom: 915 100K-HA A 3.98 ambi=1 { CA:59.3 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } ::sumAvg: 4.9 atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } ::sumAvg: 4.69 atom: 952 103T-HB B 4.09 ambi=1 { CB:67.7 } atom: 905 99F-QE E 7.08 ambi=3 { CE1:130 } ::sumAvg: 4.945 atom: 920 100K-HD2 D 1.71 ambi=2 { CD:29 } atom: 914 100K-H N 8.5 ambi=1 { N:121.7 } :: atom: 921 100K-HD3 D 1.74 ambi=2 { CD:29 } atom: 914 100K-H N 8.5 ambi=1 { N:121.7 } ::sumAvg: 4.455 atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } atom: 914 100K-H N 8.5 ambi=1 { N:121.7 } :: atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } atom: 914 100K-H N 8.5 ambi=1 { N:121.7 } ::sumAvg: 4.865 atom: 915 100K-HA A 3.98 ambi=1 { CA:59.3 } atom: 922 100K-QE E 3 ambi=2 { CE:42 } ::sumAvg: 4.625 atom: 915 100K-HA A 3.98 ambi=1 { CA:59.3 } atom: 937 102I-H N 8.22 ambi=1 { N:118.8 } ::sumAvg: 4.45 atom: 915 100K-HA A 3.98 ambi=1 { CA:59.3 } atom: 953 103T-HG1 G1 3.26 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.85 atom: 916 100K-HB2 B 1.97 ambi=2 { CB:31.9 } atom: 931 101D-HA A 4.29 ambi=1 { CA:57.3 } :: atom: 917 100K-HB3 B 2.02 ambi=2 { CB:31.9 } atom: 931 101D-HA A 4.29 ambi=1 { CA:57.3 } ::sumAvg: 4.295 atom: 916 100K-HB2 B 1.97 ambi=2 { CB:31.9 } atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } :: atom: 916 100K-HB2 B 1.97 ambi=2 { CB:31.9 } atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } :: atom: 917 100K-HB3 B 2.02 ambi=2 { CB:31.9 } atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } :: atom: 917 100K-HB3 B 2.02 ambi=2 { CB:31.9 } atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } ::sumAvg: 4.965 atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } atom: 916 100K-HB2 B 1.97 ambi=2 { CB:31.9 } :: atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } atom: 916 100K-HB2 B 1.97 ambi=2 { CB:31.9 } :: atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } atom: 917 100K-HB3 B 2.02 ambi=2 { CB:31.9 } :: atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } atom: 917 100K-HB3 B 2.02 ambi=2 { CB:31.9 } ::sumAvg: 4.965 atom: 952 103T-HB B 4.09 ambi=1 { CB:67.7 } atom: 916 100K-HB2 B 1.97 ambi=2 { CB:31.9 } :: atom: 952 103T-HB B 4.09 ambi=1 { CB:67.7 } atom: 917 100K-HB3 B 2.02 ambi=2 { CB:31.9 } ::sumAvg: 4.81 atom: 952 103T-HB B 4.09 ambi=1 { CB:67.7 } atom: 918 100K-HG2 G 1.46 ambi=2 { CG:24.8 } :: atom: 952 103T-HB B 4.09 ambi=1 { CB:67.7 } atom: 919 100K-HG3 G 1.52 ambi=2 { CG:24.8 } ::sumAvg: 4.26 atom: 954 103T-HG2 G2 1 ambi=1 { CG2:21.1 } atom: 918 100K-HG2 G 1.46 ambi=2 { CG:24.8 } :: atom: 954 103T-HG2 G2 1 ambi=1 { CG2:21.1 } atom: 919 100K-HG3 G 1.52 ambi=2 { CG:24.8 } ::sumAvg: 4.945 atom: 920 100K-HD2 D 1.71 ambi=2 { CD:29 } atom: 930 101D-H N 8.15 ambi=1 { N:119.8 } :: atom: 921 100K-HD3 D 1.74 ambi=2 { CD:29 } atom: 930 101D-H N 8.15 ambi=1 { N:119.8 } ::sumAvg: 4.97 atom: 939 102I-HB B 1.55 ambi=1 { CB:37.7 } atom: 930 101D-H N 8.15 ambi=1 { N:119.8 } ::sumAvg: 4.825 atom: 940 102I-HG12 G1 1.06 ambi=2 { CG1:27.4 } atom: 930 101D-H N 8.15 ambi=1 { N:119.8 } :: atom: 941 102I-HG13 G1 1.37 ambi=2 { CG1:27.4 } atom: 930 101D-H N 8.15 ambi=1 { N:119.8 } ::sumAvg: 4.54 atom: 931 101D-HA A 4.29 ambi=1 { CA:57.3 } atom: 938 102I-HA A 3.69 ambi=1 { CA:65 } ::sumAvg: 4.765 atom: 938 102I-HA A 3.69 ambi=1 { CA:65 } atom: 931 101D-HA A 4.29 ambi=1 { CA:57.3 } ::sumAvg: 4.765 atom: 931 101D-HA A 4.29 ambi=1 { CA:57.3 } atom: 950 103T-H N 7.93 ambi=1 { N:117.9 } ::sumAvg: 4.53 atom: 963 104E-HG2 G 2.2 ambi=2 { CG:36.7 } atom: 931 101D-HA A 4.29 ambi=1 { CA:57.3 } :: atom: 964 104E-HG3 G 2.46 ambi=2 { CG:36.7 } atom: 931 101D-HA A 4.29 ambi=1 { CA:57.3 } ::sumAvg: 4.4 atom: 931 101D-HA A 4.29 ambi=1 { CA:57.3 } atom: 969 105S-H N 7.84 ambi=1 { N:114.2 } ::sumAvg: 4.165 atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } atom: 938 102I-HA A 3.69 ambi=1 { CA:65 } :: atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } atom: 938 102I-HA A 3.69 ambi=1 { CA:65 } ::sumAvg: 4.25 atom: 938 102I-HA A 3.69 ambi=1 { CA:65 } atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } :: atom: 938 102I-HA A 3.69 ambi=1 { CA:65 } atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } ::sumAvg: 4.25 atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } atom: 939 102I-HB B 1.55 ambi=1 { CB:37.7 } :: atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } atom: 939 102I-HB B 1.55 ambi=1 { CB:37.7 } ::sumAvg: 4.93 atom: 939 102I-HB B 1.55 ambi=1 { CB:37.7 } atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } :: atom: 939 102I-HB B 1.55 ambi=1 { CB:37.7 } atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } ::sumAvg: 4.93 atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } atom: 940 102I-HG12 G1 1.06 ambi=2 { CG1:27.4 } :: atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } atom: 941 102I-HG13 G1 1.37 ambi=2 { CG1:27.4 } :: atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } atom: 940 102I-HG12 G1 1.06 ambi=2 { CG1:27.4 } :: atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } atom: 941 102I-HG13 G1 1.37 ambi=2 { CG1:27.4 } ::sumAvg: 3.43 atom: 940 102I-HG12 G1 1.06 ambi=2 { CG1:27.4 } atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } :: atom: 941 102I-HG13 G1 1.37 ambi=2 { CG1:27.4 } atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } :: atom: 940 102I-HG12 G1 1.06 ambi=2 { CG1:27.4 } atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } :: atom: 941 102I-HG13 G1 1.37 ambi=2 { CG1:27.4 } atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } ::sumAvg: 3.43 atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } :: atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } ::sumAvg: 4.435 atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } :: atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } ::sumAvg: 4.435 atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } atom: 961 104E-HB2 B 1.98 ambi=2 { CB:29.2 } :: atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } atom: 962 104E-HB3 B 2.08 ambi=2 { CB:29.2 } :: atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } atom: 961 104E-HB2 B 1.98 ambi=2 { CB:29.2 } :: atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } atom: 962 104E-HB3 B 2.08 ambi=2 { CB:29.2 } ::sumAvg: 4.81 atom: 961 104E-HB2 B 1.98 ambi=2 { CB:29.2 } atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } :: atom: 962 104E-HB3 B 2.08 ambi=2 { CB:29.2 } atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } :: atom: 961 104E-HB2 B 1.98 ambi=2 { CB:29.2 } atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } :: atom: 962 104E-HB3 B 2.08 ambi=2 { CB:29.2 } atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } ::sumAvg: 4.81 atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } atom: 969 105S-H N 7.84 ambi=1 { N:114.2 } :: atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } atom: 969 105S-H N 7.84 ambi=1 { N:114.2 } ::sumAvg: 4.925 atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } atom: 971 105S-QB B 3.96 ambi=2 { CB:62.7 } :: atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } atom: 971 105S-QB B 3.96 ambi=2 { CB:62.7 } ::sumAvg: 4.485 atom: 971 105S-QB B 3.96 ambi=2 { CB:62.7 } atom: 932 101D-HB2 B 2.61 ambi=2 { CB:39.9 } :: atom: 971 105S-QB B 3.96 ambi=2 { CB:62.7 } atom: 933 101D-HB3 B 2.87 ambi=2 { CB:39.9 } ::sumAvg: 4.485 atom: 952 103T-HB B 4.09 ambi=1 { CB:67.7 } atom: 937 102I-H N 8.22 ambi=1 { N:118.8 } ::sumAvg: 4.88 atom: 938 102I-HA A 3.69 ambi=1 { CA:65 } atom: 959 104E-H N 8.47 ambi=1 { N:118.9 } ::sumAvg: 4.405 atom: 938 102I-HA A 3.69 ambi=1 { CA:65 } atom: 976 106V-H N 8.29 ambi=1 { N:122.1 } ::sumAvg: 4.125 atom: 938 102I-HA A 3.69 ambi=1 { CA:65 } atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } ::sumAvg: 4.94 atom: 951 103T-HA A 3.48 ambi=1 { CA:67.3 } atom: 939 102I-HB B 1.55 ambi=1 { CB:37.7 } ::sumAvg: 4.37 atom: 939 102I-HB B 1.55 ambi=1 { CB:37.7 } atom: 953 103T-HG1 G1 3.26 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.355 atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 953 103T-HG1 G1 3.26 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.5 atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 969 105S-H N 7.84 ambi=1 { N:114.2 } ::sumAvg: 4.675 atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 976 106V-H N 8.29 ambi=1 { N:122.1 } ::sumAvg: 3.975 atom: 942 102I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 986 107L-H N 8.56 ambi=1 { N:117.5 } ::sumAvg: 4.92 atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } atom: 971 105S-QB B 3.96 ambi=2 { CB:62.7 } ::sumAvg: 4.92 atom: 971 105S-QB B 3.96 ambi=2 { CB:62.7 } atom: 943 102I-HD1 D1 0.57 ambi=1 { CD1:13.3 } ::sumAvg: 4.92 atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } atom: 950 103T-H N 7.93 ambi=1 { N:117.9 } :: atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } atom: 950 103T-H N 7.93 ambi=1 { N:117.9 } ::sumAvg: 4.74 atom: 951 103T-HA A 3.48 ambi=1 { CA:67.3 } atom: 960 104E-HA A 3.92 ambi=1 { CA:59.5 } ::sumAvg: 4.775 atom: 960 104E-HA A 3.92 ambi=1 { CA:59.5 } atom: 951 103T-HA A 3.48 ambi=1 { CA:67.3 } ::sumAvg: 4.775 atom: 951 103T-HA A 3.48 ambi=1 { CA:67.3 } atom: 969 105S-H N 7.84 ambi=1 { N:114.2 } ::sumAvg: 4.54 atom: 951 103T-HA A 3.48 ambi=1 { CA:67.3 } atom: 976 106V-H N 8.29 ambi=1 { N:122.1 } ::sumAvg: 3.735 atom: 951 103T-HA A 3.48 ambi=1 { CA:67.3 } atom: 986 107L-H N 8.56 ambi=1 { N:117.5 } ::sumAvg: 3.42 atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } atom: 951 103T-HA A 3.48 ambi=1 { CA:67.3 } :: atom: 989 107L-HB3 B 1.44 ambi=2 { CB:41.2 } atom: 951 103T-HA A 3.48 ambi=1 { CA:67.3 } ::sumAvg: 4.105 atom: 952 103T-HB B 4.09 ambi=1 { CB:67.7 } atom: 961 104E-HB2 B 1.98 ambi=2 { CB:29.2 } :: atom: 952 103T-HB B 4.09 ambi=1 { CB:67.7 } atom: 962 104E-HB3 B 2.08 ambi=2 { CB:29.2 } ::sumAvg: 4.475 atom: 952 103T-HB B 4.09 ambi=1 { CB:67.7 } atom: 963 104E-HG2 G 2.2 ambi=2 { CG:36.7 } :: atom: 952 103T-HB B 4.09 ambi=1 { CB:67.7 } atom: 964 104E-HG3 G 2.46 ambi=2 { CG:36.7 } ::sumAvg: 4.675 atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } atom: 952 103T-HB B 4.09 ambi=1 { CB:67.7 } :: atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } atom: 952 103T-HB B 4.09 ambi=1 { CB:67.7 } ::sumAvg: 4.725 atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } atom: 953 103T-HG1 G1 3.26 ambi=1 {attached_atom is not_assigned} :: atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } atom: 953 103T-HG1 G1 3.26 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.835 atom: 960 104E-HA A 3.92 ambi=1 { CA:59.5 } atom: 969 105S-H N 7.84 ambi=1 { N:114.2 } ::sumAvg: 3.52 atom: 960 104E-HA A 3.92 ambi=1 { CA:59.5 } atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } :: atom: 960 104E-HA A 3.92 ambi=1 { CA:59.5 } atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } ::sumAvg: 3.61 atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } atom: 960 104E-HA A 3.92 ambi=1 { CA:59.5 } :: atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } atom: 960 104E-HA A 3.92 ambi=1 { CA:59.5 } ::sumAvg: 3.61 atom: 960 104E-HA A 3.92 ambi=1 { CA:59.5 } atom: 1003 108Y-QD D 7.13 ambi=3 { CD1:132.7 } ::sumAvg: 4.47 atom: 970 105S-HA A 4.29 ambi=1 { CA:60.9 } atom: 961 104E-HB2 B 1.98 ambi=2 { CB:29.2 } :: atom: 970 105S-HA A 4.29 ambi=1 { CA:60.9 } atom: 962 104E-HB3 B 2.08 ambi=2 { CB:29.2 } ::sumAvg: 4.215 atom: 961 104E-HB2 B 1.98 ambi=2 { CB:29.2 } atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } :: atom: 961 104E-HB2 B 1.98 ambi=2 { CB:29.2 } atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } :: atom: 962 104E-HB3 B 2.08 ambi=2 { CB:29.2 } atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } :: atom: 962 104E-HB3 B 2.08 ambi=2 { CB:29.2 } atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } ::sumAvg: 4.625 atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } atom: 961 104E-HB2 B 1.98 ambi=2 { CB:29.2 } :: atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } atom: 961 104E-HB2 B 1.98 ambi=2 { CB:29.2 } :: atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } atom: 962 104E-HB3 B 2.08 ambi=2 { CB:29.2 } :: atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } atom: 962 104E-HB3 B 2.08 ambi=2 { CB:29.2 } ::sumAvg: 4.625 atom: 961 104E-HB2 B 1.98 ambi=2 { CB:29.2 } atom: 1003 108Y-QD D 7.13 ambi=3 { CD1:132.7 } :: atom: 962 104E-HB3 B 2.08 ambi=2 { CB:29.2 } atom: 1003 108Y-QD D 7.13 ambi=3 { CD1:132.7 } ::sumAvg: 4.76 atom: 963 104E-HG2 G 2.2 ambi=2 { CG:36.7 } atom: 970 105S-HA A 4.29 ambi=1 { CA:60.9 } :: atom: 964 104E-HG3 G 2.46 ambi=2 { CG:36.7 } atom: 970 105S-HA A 4.29 ambi=1 { CA:60.9 } ::sumAvg: 4.99 atom: 970 105S-HA A 4.29 ambi=1 { CA:60.9 } atom: 963 104E-HG2 G 2.2 ambi=2 { CG:36.7 } :: atom: 970 105S-HA A 4.29 ambi=1 { CA:60.9 } atom: 964 104E-HG3 G 2.46 ambi=2 { CG:36.7 } ::sumAvg: 4.99 atom: 963 104E-HG2 G 2.2 ambi=2 { CG:36.7 } atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } :: atom: 963 104E-HG2 G 2.2 ambi=2 { CG:36.7 } atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } :: atom: 964 104E-HG3 G 2.46 ambi=2 { CG:36.7 } atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } :: atom: 964 104E-HG3 G 2.46 ambi=2 { CG:36.7 } atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } ::sumAvg: 4.79 atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } atom: 963 104E-HG2 G 2.2 ambi=2 { CG:36.7 } :: atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } atom: 963 104E-HG2 G 2.2 ambi=2 { CG:36.7 } :: atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } atom: 964 104E-HG3 G 2.46 ambi=2 { CG:36.7 } :: atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } atom: 964 104E-HG3 G 2.46 ambi=2 { CG:36.7 } ::sumAvg: 4.79 atom: 963 104E-HG2 G 2.2 ambi=2 { CG:36.7 } atom: 1003 108Y-QD D 7.13 ambi=3 { CD1:132.7 } :: atom: 964 104E-HG3 G 2.46 ambi=2 { CG:36.7 } atom: 1003 108Y-QD D 7.13 ambi=3 { CD1:132.7 } ::sumAvg: 4.865 atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } atom: 969 105S-H N 7.84 ambi=1 { N:114.2 } ::sumAvg: 4.725 atom: 970 105S-HA A 4.29 ambi=1 { CA:60.9 } atom: 977 106V-HA A 3.69 ambi=1 { CA:66.3 } ::sumAvg: 4.67 atom: 977 106V-HA A 3.69 ambi=1 { CA:66.3 } atom: 970 105S-HA A 4.29 ambi=1 { CA:60.9 } ::sumAvg: 4.67 atom: 970 105S-HA A 4.29 ambi=1 { CA:60.9 } atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } :: atom: 970 105S-HA A 4.29 ambi=1 { CA:60.9 } atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } ::sumAvg: 4.805 atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } atom: 970 105S-HA A 4.29 ambi=1 { CA:60.9 } :: atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } atom: 970 105S-HA A 4.29 ambi=1 { CA:60.9 } ::sumAvg: 4.805 atom: 971 105S-QB B 3.96 ambi=2 { CB:62.7 } atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } ::sumAvg: 4.985 atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } atom: 971 105S-QB B 3.96 ambi=2 { CB:62.7 } :: atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } atom: 971 105S-QB B 3.96 ambi=2 { CB:62.7 } ::sumAvg: 3.45 atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } atom: 976 106V-H N 8.29 ambi=1 { N:122.1 } :: atom: 989 107L-HB3 B 1.44 ambi=2 { CB:41.2 } atom: 976 106V-H N 8.29 ambi=1 { N:122.1 } ::sumAvg: 4.5 atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } atom: 976 106V-H N 8.29 ambi=1 { N:122.1 } :: atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } atom: 976 106V-H N 8.29 ambi=1 { N:122.1 } ::sumAvg: 4.915 atom: 977 106V-HA A 3.69 ambi=1 { CA:66.3 } atom: 999 108Y-H N 8.45 ambi=1 { N:119 } ::sumAvg: 4.695 atom: 977 106V-HA A 3.69 ambi=1 { CA:66.3 } atom: 1024 110L-HG G 1.63 ambi=1 { CG:26.5 } ::sumAvg: 3.905 atom: 1024 110L-HG G 1.63 ambi=1 { CG:26.5 } atom: 977 106V-HA A 3.69 ambi=1 { CA:66.3 } ::sumAvg: 3.905 atom: 977 106V-HA A 3.69 ambi=1 { CA:66.3 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 977 106V-HA A 3.69 ambi=1 { CA:66.3 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 4.22 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 977 106V-HA A 3.69 ambi=1 { CA:66.3 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 977 106V-HA A 3.69 ambi=1 { CA:66.3 } ::sumAvg: 4.22 atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } atom: 987 107L-HA A 3.9 ambi=1 { CA:58.3 } ::sumAvg: 4.315 atom: 987 107L-HA A 3.9 ambi=1 { CA:58.3 } atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } ::sumAvg: 4.315 atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } atom: 989 107L-HB3 B 1.44 ambi=2 { CB:41.2 } ::sumAvg: 4.13 atom: 989 107L-HB3 B 1.44 ambi=2 { CB:41.2 } atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } ::sumAvg: 4.13 atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } atom: 990 107L-HG G 1.72 ambi=1 { CG:27.4 } ::sumAvg: 4.775 atom: 990 107L-HG G 1.72 ambi=1 { CG:27.4 } atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } ::sumAvg: 4.775 atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } :: atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } ::sumAvg: 4.67 atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 4.24 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 978 106V-HB B 2.15 ambi=1 { CB:31.9 } ::sumAvg: 4.24 atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } :: atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } ::sumAvg: 4.535 atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } :: atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } ::sumAvg: 4.535 atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } :: atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } ::sumAvg: 4.12 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 979 106V-HG1 G1 0.85 ambi=2 { CG1:22 } :: atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 980 106V-HG2 G2 1.06 ambi=2 { CG2:24.5 } ::sumAvg: 2.085 atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } atom: 986 107L-H N 8.56 ambi=1 { N:117.5 } :: atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } atom: 986 107L-H N 8.56 ambi=1 { N:117.5 } ::sumAvg: 3.85 atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } atom: 986 107L-H N 8.56 ambi=1 { N:117.5 } :: atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } atom: 986 107L-H N 8.56 ambi=1 { N:117.5 } ::sumAvg: 4.82 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 986 107L-H N 8.56 ambi=1 { N:117.5 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 986 107L-H N 8.56 ambi=1 { N:117.5 } ::sumAvg: 4.07 atom: 987 107L-HA A 3.9 ambi=1 { CA:58.3 } atom: 1012 109T-H N 7.8 ambi=1 { N:116.5 } ::sumAvg: 4.51 atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } atom: 987 107L-HA A 3.9 ambi=1 { CA:58.3 } :: atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } atom: 987 107L-HA A 3.9 ambi=1 { CA:58.3 } ::sumAvg: 2.68 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 987 107L-HA A 3.9 ambi=1 { CA:58.3 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 987 107L-HA A 3.9 ambi=1 { CA:58.3 } ::sumAvg: 2.255 atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } atom: 1000 108Y-HA A 4.17 ambi=1 { CA:61.8 } :: atom: 989 107L-HB3 B 1.44 ambi=2 { CB:41.2 } atom: 1000 108Y-HA A 4.17 ambi=1 { CA:61.8 } ::sumAvg: 4.24 atom: 1000 108Y-HA A 4.17 ambi=1 { CA:61.8 } atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } :: atom: 1000 108Y-HA A 4.17 ambi=1 { CA:61.8 } atom: 989 107L-HB3 B 1.44 ambi=2 { CB:41.2 } ::sumAvg: 4.24 atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } :: atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } :: atom: 989 107L-HB3 B 1.44 ambi=2 { CB:41.2 } atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } :: atom: 989 107L-HB3 B 1.44 ambi=2 { CB:41.2 } atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } ::sumAvg: 4.64 atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } :: atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } :: atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } atom: 989 107L-HB3 B 1.44 ambi=2 { CB:41.2 } :: atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } atom: 989 107L-HB3 B 1.44 ambi=2 { CB:41.2 } ::sumAvg: 4.64 atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } atom: 1003 108Y-QD D 7.13 ambi=3 { CD1:132.7 } :: atom: 989 107L-HB3 B 1.44 ambi=2 { CB:41.2 } atom: 1003 108Y-QD D 7.13 ambi=3 { CD1:132.7 } ::sumAvg: 4.3 atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } :: atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } atom: 989 107L-HB3 B 1.44 ambi=2 { CB:41.2 } ::sumAvg: 4.815 atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } :: atom: 989 107L-HB3 B 1.44 ambi=2 { CB:41.2 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 989 107L-HB3 B 1.44 ambi=2 { CB:41.2 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 4.05 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 988 107L-HB2 B 1.98 ambi=2 { CB:41.2 } :: atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 989 107L-HB3 B 1.44 ambi=2 { CB:41.2 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 989 107L-HB3 B 1.44 ambi=2 { CB:41.2 } ::sumAvg: 4.05 atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } atom: 990 107L-HG G 1.72 ambi=1 { CG:27.4 } :: atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } atom: 990 107L-HG G 1.72 ambi=1 { CG:27.4 } ::sumAvg: 2.13 atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } atom: 990 107L-HG G 1.72 ambi=1 { CG:27.4 } ::sumAvg: 4.835 atom: 990 107L-HG G 1.72 ambi=1 { CG:27.4 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 990 107L-HG G 1.72 ambi=1 { CG:27.4 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 4.275 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 990 107L-HG G 1.72 ambi=1 { CG:27.4 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 990 107L-HG G 1.72 ambi=1 { CG:27.4 } ::sumAvg: 4.275 atom: 1000 108Y-HA A 4.17 ambi=1 { CA:61.8 } atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } :: atom: 1000 108Y-HA A 4.17 ambi=1 { CA:61.8 } atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } ::sumAvg: 4.415 atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } atom: 1003 108Y-QD D 7.13 ambi=3 { CD1:132.7 } :: atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } atom: 1003 108Y-QD D 7.13 ambi=3 { CD1:132.7 } ::sumAvg: 4.7 atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } atom: 1020 110L-H N 8.51 ambi=1 { N:121 } :: atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } atom: 1020 110L-H N 8.51 ambi=1 { N:121 } ::sumAvg: 4.69 atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } :: atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 2.925 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } :: atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } ::sumAvg: 2.925 atom: 1035 111H-HB2 B 2.98 ambi=2 { CB:29.7 } atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } :: atom: 1036 111H-HB3 B 3 ambi=2 { CB:29.7 } atom: 991 107L-HD1 D1 0.87 ambi=2 { CD1:24.3 } :: atom: 1035 111H-HB2 B 2.98 ambi=2 { CB:29.7 } atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } :: atom: 1036 111H-HB3 B 3 ambi=2 { CB:29.7 } atom: 992 107L-HD2 D2 0.98 ambi=2 { CD2:25.7 } ::sumAvg: 4.705 atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } atom: 999 108Y-H N 8.45 ambi=1 { N:119 } ::sumAvg: 4.93 atom: 1000 108Y-HA A 4.17 ambi=1 { CA:61.8 } atom: 1005 108Y-QE E 6.81 ambi=3 { CE1:117.4 } ::sumAvg: 4.5 atom: 1000 108Y-HA A 4.17 ambi=1 { CA:61.8 } atom: 1020 110L-H N 8.51 ambi=1 { N:121 } ::sumAvg: 4.485 atom: 1000 108Y-HA A 4.17 ambi=1 { CA:61.8 } atom: 1037 111H-HD2 D2 6.95 ambi=1 { CD2:119.7 } ::sumAvg: 4.105 atom: 1000 108Y-HA A 4.17 ambi=1 { CA:61.8 } atom: 1042 112A-H N 7.92 ambi=1 { N:122.9 } ::sumAvg: 4.615 atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } atom: 1013 109T-HA A 3.86 ambi=1 { CA:66.8 } :: atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } atom: 1013 109T-HA A 3.86 ambi=1 { CA:66.8 } ::sumAvg: 4.355 atom: 1013 109T-HA A 3.86 ambi=1 { CA:66.8 } atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } :: atom: 1013 109T-HA A 3.86 ambi=1 { CA:66.8 } atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } ::sumAvg: 4.355 atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } :: atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } ::sumAvg: 4.85 atom: 1001 108Y-HB2 B 3.28 ambi=2 { CB:37.9 } atom: 1020 110L-H N 8.51 ambi=1 { N:121 } :: atom: 1002 108Y-HB3 B 3.17 ambi=2 { CB:37.9 } atom: 1020 110L-H N 8.51 ambi=1 { N:121 } ::sumAvg: 4.96 atom: 1035 111H-HB2 B 2.98 ambi=2 { CB:29.7 } atom: 1003 108Y-QD D 7.13 ambi=3 { CD1:132.7 } :: atom: 1036 111H-HB3 B 3 ambi=2 { CB:29.7 } atom: 1003 108Y-QD D 7.13 ambi=3 { CD1:132.7 } ::sumAvg: 4.625 atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } atom: 1012 109T-H N 7.8 ambi=1 { N:116.5 } :: atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } atom: 1012 109T-H N 7.8 ambi=1 { N:116.5 } ::sumAvg: 4.45 atom: 1024 110L-HG G 1.63 ambi=1 { CG:26.5 } atom: 1012 109T-H N 7.8 ambi=1 { N:116.5 } ::sumAvg: 4.58 atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } atom: 1012 109T-H N 7.8 ambi=1 { N:116.5 } ::sumAvg: 4.79 atom: 1013 109T-HA A 3.86 ambi=1 { CA:66.8 } atom: 1020 110L-H N 8.51 ambi=1 { N:121 } ::sumAvg: 3.535 atom: 1013 109T-HA A 3.86 ambi=1 { CA:66.8 } atom: 1033 111H-H N 8.44 ambi=1 { N:116.3 } ::sumAvg: 4.24 atom: 1013 109T-HA A 3.86 ambi=1 { CA:66.8 } atom: 1048 113V-H N 8.3 ambi=1 { N:119 } ::sumAvg: 4.125 atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } :: atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } ::sumAvg: 4.79 atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } :: atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } ::sumAvg: 4.79 atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } atom: 1024 110L-HG G 1.63 ambi=1 { CG:26.5 } ::sumAvg: 3.64 atom: 1024 110L-HG G 1.63 ambi=1 { CG:26.5 } atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } ::sumAvg: 3.64 atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } :: atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } ::sumAvg: 4.47 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } ::sumAvg: 4.47 atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } ::sumAvg: 4.91 atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } ::sumAvg: 4.91 atom: 1051 113V-HG1 G1 0.98 ambi=2 { CG1:20.7 } atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } :: atom: 1052 113V-HG2 G2 1.2 ambi=2 { CG2:24.7 } atom: 1014 109T-HB B 4.18 ambi=1 { CB:67.8 } ::sumAvg: 4.44 atom: 1024 110L-HG G 1.63 ambi=1 { CG:26.5 } atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } ::sumAvg: 4.165 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } ::sumAvg: 3.875 atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } atom: 1042 112A-H N 7.92 ambi=1 { N:122.9 } ::sumAvg: 4.44 atom: 1015 109T-HG2 G2 1.23 ambi=1 { CG2:23 } atom: 1048 113V-H N 8.3 ambi=1 { N:119 } ::sumAvg: 3.755 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 1020 110L-H N 8.51 ambi=1 { N:121 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 1020 110L-H N 8.51 ambi=1 { N:121 } ::sumAvg: 3.51 atom: 1035 111H-HB2 B 2.98 ambi=2 { CB:29.7 } atom: 1020 110L-H N 8.51 ambi=1 { N:121 } :: atom: 1036 111H-HB3 B 3 ambi=2 { CB:29.7 } atom: 1020 110L-H N 8.51 ambi=1 { N:121 } ::sumAvg: 4.865 atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } atom: 1020 110L-H N 8.51 ambi=1 { N:121 } ::sumAvg: 4.75 atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } atom: 1021 110L-HA A 3.9 ambi=1 { CA:58.5 } :: atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } atom: 1021 110L-HA A 3.9 ambi=1 { CA:58.5 } ::sumAvg: 2.645 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 1021 110L-HA A 3.9 ambi=1 { CA:58.5 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 1021 110L-HA A 3.9 ambi=1 { CA:58.5 } ::sumAvg: 1.995 atom: 1021 110L-HA A 3.9 ambi=1 { CA:58.5 } atom: 1042 112A-H N 7.92 ambi=1 { N:122.9 } ::sumAvg: 4.14 atom: 1021 110L-HA A 3.9 ambi=1 { CA:58.5 } atom: 1058 114K-H N 8.22 ambi=1 { N:120.6 } ::sumAvg: 4.145 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } :: atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } ::sumAvg: 2.355 atom: 1034 111H-HA A 4 ambi=1 { CA:60.9 } atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } :: atom: 1034 111H-HA A 4 ambi=1 { CA:60.9 } atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } ::sumAvg: 4.28 atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } atom: 1035 111H-HB2 B 2.98 ambi=2 { CB:29.7 } :: atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } atom: 1036 111H-HB3 B 3 ambi=2 { CB:29.7 } :: atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } atom: 1035 111H-HB2 B 2.98 ambi=2 { CB:29.7 } :: atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } atom: 1036 111H-HB3 B 3 ambi=2 { CB:29.7 } ::sumAvg: 4.75 atom: 1035 111H-HB2 B 2.98 ambi=2 { CB:29.7 } atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } :: atom: 1036 111H-HB3 B 3 ambi=2 { CB:29.7 } atom: 1022 110L-HB2 B 0.98 ambi=2 { CB:41.3 } :: atom: 1035 111H-HB2 B 2.98 ambi=2 { CB:29.7 } atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } :: atom: 1036 111H-HB3 B 3 ambi=2 { CB:29.7 } atom: 1023 110L-HB3 B 1.61 ambi=2 { CB:41.3 } ::sumAvg: 4.75 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 1024 110L-HG G 1.63 ambi=1 { CG:26.5 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 1024 110L-HG G 1.63 ambi=1 { CG:26.5 } ::sumAvg: 2.13 atom: 1024 110L-HG G 1.63 ambi=1 { CG:26.5 } atom: 1033 111H-H N 8.44 ambi=1 { N:116.3 } ::sumAvg: 4.55 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 1033 111H-H N 8.44 ambi=1 { N:116.3 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 1033 111H-H N 8.44 ambi=1 { N:116.3 } ::sumAvg: 4.62 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 1048 113V-H N 8.3 ambi=1 { N:119 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 1048 113V-H N 8.3 ambi=1 { N:119 } ::sumAvg: 4.78 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 1050 113V-HB B 2.52 ambi=1 { CB:31 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 1050 113V-HB B 2.52 ambi=1 { CB:31 } ::sumAvg: 3.86 atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 1051 113V-HG1 G1 0.98 ambi=2 { CG1:20.7 } :: atom: 1025 110L-HD1 D1 0.37 ambi=2 { CD1:22.4 } atom: 1052 113V-HG2 G2 1.2 ambi=2 { CG2:24.7 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 1051 113V-HG1 G1 0.98 ambi=2 { CG1:20.7 } :: atom: 1026 110L-HD2 D2 0.02 ambi=2 { CD2:26.6 } atom: 1052 113V-HG2 G2 1.2 ambi=2 { CG2:24.7 } ::sumAvg: 3.395 atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } atom: 1033 111H-H N 8.44 ambi=1 { N:116.3 } ::sumAvg: 4.16 atom: 1034 111H-HA A 4 ambi=1 { CA:60.9 } atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } ::sumAvg: 4.99 atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } atom: 1034 111H-HA A 4 ambi=1 { CA:60.9 } ::sumAvg: 4.99 atom: 1034 111H-HA A 4 ambi=1 { CA:60.9 } atom: 1048 113V-H N 8.3 ambi=1 { N:119 } ::sumAvg: 4.38 atom: 1034 111H-HA A 4 ambi=1 { CA:60.9 } atom: 1066 114K-QE E 2.88 ambi=2 { CE:41.3 } ::sumAvg: 4.09 atom: 1043 112A-HA A 4.13 ambi=1 { CA:55 } atom: 1035 111H-HB2 B 2.98 ambi=2 { CB:29.7 } :: atom: 1043 112A-HA A 4.13 ambi=1 { CA:55 } atom: 1036 111H-HB3 B 3 ambi=2 { CB:29.7 } ::sumAvg: 4.445 atom: 1035 111H-HB2 B 2.98 ambi=2 { CB:29.7 } atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } :: atom: 1036 111H-HB3 B 3 ambi=2 { CB:29.7 } atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } ::sumAvg: 4.19 atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } atom: 1035 111H-HB2 B 2.98 ambi=2 { CB:29.7 } :: atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } atom: 1036 111H-HB3 B 3 ambi=2 { CB:29.7 } ::sumAvg: 4.19 atom: 1035 111H-HB2 B 2.98 ambi=2 { CB:29.7 } atom: 1060 114K-HB2 B 1.8 ambi=2 { CB:31.5 } :: atom: 1035 111H-HB2 B 2.98 ambi=2 { CB:29.7 } atom: 1061 114K-HB3 B 2.05 ambi=2 { CB:31.5 } :: atom: 1036 111H-HB3 B 3 ambi=2 { CB:29.7 } atom: 1060 114K-HB2 B 1.8 ambi=2 { CB:31.5 } :: atom: 1036 111H-HB3 B 3 ambi=2 { CB:29.7 } atom: 1061 114K-HB3 B 2.05 ambi=2 { CB:31.5 } ::sumAvg: 4.91 atom: 1035 111H-HB2 B 2.98 ambi=2 { CB:29.7 } atom: 1064 114K-QD D 1.49 ambi=2 { CD:29.5 } :: atom: 1036 111H-HB3 B 3 ambi=2 { CB:29.7 } atom: 1064 114K-QD D 1.49 ambi=2 { CD:29.5 } ::sumAvg: 4.44 atom: 1064 114K-QD D 1.49 ambi=2 { CD:29.5 } atom: 1035 111H-HB2 B 2.98 ambi=2 { CB:29.7 } :: atom: 1064 114K-QD D 1.49 ambi=2 { CD:29.5 } atom: 1036 111H-HB3 B 3 ambi=2 { CB:29.7 } ::sumAvg: 4.44 atom: 1050 113V-HB B 2.52 ambi=1 { CB:31 } atom: 1042 112A-H N 7.92 ambi=1 { N:122.9 } ::sumAvg: 4.58 atom: 1043 112A-HA A 4.13 ambi=1 { CA:55 } atom: 1049 113V-HA A 3.54 ambi=1 { CA:67.2 } ::sumAvg: 4.755 atom: 1049 113V-HA A 3.54 ambi=1 { CA:67.2 } atom: 1043 112A-HA A 4.13 ambi=1 { CA:55 } ::sumAvg: 4.755 atom: 1043 112A-HA A 4.13 ambi=1 { CA:55 } atom: 1081 116E-H N 7.99 ambi=1 { N:120.8 } ::sumAvg: 4.515 atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } atom: 1049 113V-HA A 3.54 ambi=1 { CA:67.2 } ::sumAvg: 3.865 atom: 1049 113V-HA A 3.54 ambi=1 { CA:67.2 } atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } ::sumAvg: 3.865 atom: 1050 113V-HB B 2.52 ambi=1 { CB:31 } atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } ::sumAvg: 4.26 atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } atom: 1058 114K-H N 8.22 ambi=1 { N:120.6 } ::sumAvg: 4.48 atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } atom: 1074 115D-H N 8.18 ambi=1 { N:118.8 } ::sumAvg: 4.61 atom: 1076 115D-HB2 B 2.14 ambi=2 { CB:39.6 } atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } :: atom: 1077 115D-HB3 B 2.63 ambi=2 { CB:39.6 } atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } ::sumAvg: 4.235 atom: 1044 112A-HB B 1.4 ambi=1 { CB:17.6 } atom: 1081 116E-H N 7.99 ambi=1 { N:120.8 } ::sumAvg: 4.845 atom: 1049 113V-HA A 3.54 ambi=1 { CA:67.2 } atom: 1085 116E-HG2 G 2.25 ambi=2 { CG:35.8 } :: atom: 1049 113V-HA A 3.54 ambi=1 { CA:67.2 } atom: 1086 116E-HG3 G 2.35 ambi=2 { CG:35.8 } ::sumAvg: 3.305 atom: 1085 116E-HG2 G 2.25 ambi=2 { CG:35.8 } atom: 1049 113V-HA A 3.54 ambi=1 { CA:67.2 } :: atom: 1086 116E-HG3 G 2.35 ambi=2 { CG:35.8 } atom: 1049 113V-HA A 3.54 ambi=1 { CA:67.2 } ::sumAvg: 3.305 atom: 1049 113V-HA A 3.54 ambi=1 { CA:67.2 } atom: 1091 117I-H N 8.37 ambi=1 { N:119.7 } ::sumAvg: 4.465 atom: 1094 117I-HG12 G1 0.96 ambi=2 { CG1:29.3 } atom: 1049 113V-HA A 3.54 ambi=1 { CA:67.2 } :: atom: 1095 117I-HG13 G1 1.93 ambi=2 { CG1:29.3 } atom: 1049 113V-HA A 3.54 ambi=1 { CA:67.2 } ::sumAvg: 4.18 atom: 1049 113V-HA A 3.54 ambi=1 { CA:67.2 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } ::sumAvg: 4.475 atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } atom: 1049 113V-HA A 3.54 ambi=1 { CA:67.2 } ::sumAvg: 4.475 atom: 1050 113V-HB B 2.52 ambi=1 { CB:31 } atom: 1059 114K-HA A 3.81 ambi=1 { CA:60.8 } ::sumAvg: 4.99 atom: 1059 114K-HA A 3.81 ambi=1 { CA:60.8 } atom: 1050 113V-HB B 2.52 ambi=1 { CB:31 } ::sumAvg: 4.99 atom: 1050 113V-HB B 2.52 ambi=1 { CB:31 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } ::sumAvg: 4.16 atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } atom: 1050 113V-HB B 2.52 ambi=1 { CB:31 } ::sumAvg: 4.16 atom: 1083 116E-HB2 B 2.12 ambi=2 { CB:29 } atom: 1051 113V-HG1 G1 0.98 ambi=2 { CG1:20.7 } :: atom: 1084 116E-HB3 B 2.17 ambi=2 { CB:29 } atom: 1051 113V-HG1 G1 0.98 ambi=2 { CG1:20.7 } :: atom: 1083 116E-HB2 B 2.12 ambi=2 { CB:29 } atom: 1052 113V-HG2 G2 1.2 ambi=2 { CG2:24.7 } :: atom: 1084 116E-HB3 B 2.17 ambi=2 { CB:29 } atom: 1052 113V-HG2 G2 1.2 ambi=2 { CG2:24.7 } ::sumAvg: 4.2 atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } atom: 1058 114K-H N 8.22 ambi=1 { N:120.6 } ::sumAvg: 4.24 atom: 1064 114K-QD D 1.49 ambi=2 { CD:29.5 } atom: 1059 114K-HA A 3.81 ambi=1 { CA:60.8 } ::sumAvg: 4.075 atom: 1059 114K-HA A 3.81 ambi=1 { CA:60.8 } atom: 1075 115D-HA A 4.3 ambi=1 { CA:56.8 } ::sumAvg: 4.765 atom: 1075 115D-HA A 4.3 ambi=1 { CA:56.8 } atom: 1059 114K-HA A 3.81 ambi=1 { CA:60.8 } ::sumAvg: 4.765 atom: 1059 114K-HA A 3.81 ambi=1 { CA:60.8 } atom: 1081 116E-H N 7.99 ambi=1 { N:120.8 } ::sumAvg: 4.57 atom: 1094 117I-HG12 G1 0.96 ambi=2 { CG1:29.3 } atom: 1059 114K-HA A 3.81 ambi=1 { CA:60.8 } :: atom: 1095 117I-HG13 G1 1.93 ambi=2 { CG1:29.3 } atom: 1059 114K-HA A 3.81 ambi=1 { CA:60.8 } ::sumAvg: 3.97 atom: 1059 114K-HA A 3.81 ambi=1 { CA:60.8 } atom: 1104 118A-H N 7.72 ambi=1 { N:119.9 } ::sumAvg: 4.05 atom: 1106 118A-HB B 1.5 ambi=1 { CB:18.7 } atom: 1059 114K-HA A 3.81 ambi=1 { CA:60.8 } ::sumAvg: 4.53 atom: 1060 114K-HB2 B 1.8 ambi=2 { CB:31.5 } atom: 1066 114K-QE E 2.88 ambi=2 { CE:41.3 } :: atom: 1061 114K-HB3 B 2.05 ambi=2 { CB:31.5 } atom: 1066 114K-QE E 2.88 ambi=2 { CE:41.3 } ::sumAvg: 3.955 atom: 1060 114K-HB2 B 1.8 ambi=2 { CB:31.5 } atom: 1075 115D-HA A 4.3 ambi=1 { CA:56.8 } :: atom: 1061 114K-HB3 B 2.05 ambi=2 { CB:31.5 } atom: 1075 115D-HA A 4.3 ambi=1 { CA:56.8 } ::sumAvg: 4.45 atom: 1060 114K-HB2 B 1.8 ambi=2 { CB:31.5 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } :: atom: 1061 114K-HB3 B 2.05 ambi=2 { CB:31.5 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } ::sumAvg: 4.42 atom: 1062 114K-HG2 G 1.33 ambi=2 { CG:25.2 } atom: 1075 115D-HA A 4.3 ambi=1 { CA:56.8 } :: atom: 1063 114K-HG3 G 1.5 ambi=2 { CG:25.2 } atom: 1075 115D-HA A 4.3 ambi=1 { CA:56.8 } ::sumAvg: 3.605 atom: 1062 114K-HG2 G 1.33 ambi=2 { CG:25.2 } atom: 1076 115D-HB2 B 2.14 ambi=2 { CB:39.6 } :: atom: 1062 114K-HG2 G 1.33 ambi=2 { CG:25.2 } atom: 1077 115D-HB3 B 2.63 ambi=2 { CB:39.6 } :: atom: 1063 114K-HG3 G 1.5 ambi=2 { CG:25.2 } atom: 1076 115D-HB2 B 2.14 ambi=2 { CB:39.6 } :: atom: 1063 114K-HG3 G 1.5 ambi=2 { CG:25.2 } atom: 1077 115D-HB3 B 2.63 ambi=2 { CB:39.6 } ::sumAvg: 4.75 atom: 1076 115D-HB2 B 2.14 ambi=2 { CB:39.6 } atom: 1062 114K-HG2 G 1.33 ambi=2 { CG:25.2 } :: atom: 1077 115D-HB3 B 2.63 ambi=2 { CB:39.6 } atom: 1062 114K-HG2 G 1.33 ambi=2 { CG:25.2 } :: atom: 1076 115D-HB2 B 2.14 ambi=2 { CB:39.6 } atom: 1063 114K-HG3 G 1.5 ambi=2 { CG:25.2 } :: atom: 1077 115D-HB3 B 2.63 ambi=2 { CB:39.6 } atom: 1063 114K-HG3 G 1.5 ambi=2 { CG:25.2 } ::sumAvg: 4.75 atom: 1093 117I-HB B 1.94 ambi=1 { CB:38.6 } atom: 1062 114K-HG2 G 1.33 ambi=2 { CG:25.2 } :: atom: 1093 117I-HB B 1.94 ambi=1 { CB:38.6 } atom: 1063 114K-HG3 G 1.5 ambi=2 { CG:25.2 } ::sumAvg: 4.975 atom: 1062 114K-HG2 G 1.33 ambi=2 { CG:25.2 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } :: atom: 1063 114K-HG3 G 1.5 ambi=2 { CG:25.2 } atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } ::sumAvg: 4.875 atom: 1062 114K-HG2 G 1.33 ambi=2 { CG:25.2 } atom: 1104 118A-H N 7.72 ambi=1 { N:119.9 } :: atom: 1063 114K-HG3 G 1.5 ambi=2 { CG:25.2 } atom: 1104 118A-H N 7.72 ambi=1 { N:119.9 } ::sumAvg: 4.68 atom: 1106 118A-HB B 1.5 ambi=1 { CB:18.7 } atom: 1066 114K-QE E 2.88 ambi=2 { CE:41.3 } ::sumAvg: 4.33 atom: 1106 118A-HB B 1.5 ambi=1 { CB:18.7 } atom: 1074 115D-H N 8.18 ambi=1 { N:118.8 } ::sumAvg: 4.86 atom: 1075 115D-HA A 4.3 ambi=1 { CA:56.8 } atom: 1091 117I-H N 8.37 ambi=1 { N:119.7 } ::sumAvg: 4.225 atom: 1075 115D-HA A 4.3 ambi=1 { CA:56.8 } atom: 1110 119R-H N 7.45 ambi=1 { N:118.4 } ::sumAvg: 4.085 atom: 1112 119R-HB2 B 2.03 ambi=2 { CB:31 } atom: 1075 115D-HA A 4.3 ambi=1 { CA:56.8 } :: atom: 1113 119R-HB3 B 1.88 ambi=2 { CB:31 } atom: 1075 115D-HA A 4.3 ambi=1 { CA:56.8 } ::sumAvg: 4.945 atom: 1076 115D-HB2 B 2.14 ambi=2 { CB:39.6 } atom: 1082 116E-HA A 4.06 ambi=1 { CA:58.4 } :: atom: 1077 115D-HB3 B 2.63 ambi=2 { CB:39.6 } atom: 1082 116E-HA A 4.06 ambi=1 { CA:58.4 } ::sumAvg: 4.145 atom: 1083 116E-HB2 B 2.12 ambi=2 { CB:29 } atom: 1077 115D-HB3 B 2.63 ambi=2 { CB:39.6 } :: atom: 1084 116E-HB3 B 2.17 ambi=2 { CB:29 } atom: 1077 115D-HB3 B 2.63 ambi=2 { CB:39.6 } ::sumAvg: 4.645 atom: 1076 115D-HB2 B 2.14 ambi=2 { CB:39.6 } atom: 1106 118A-HB B 1.5 ambi=1 { CB:18.7 } :: atom: 1077 115D-HB3 B 2.63 ambi=2 { CB:39.6 } atom: 1106 118A-HB B 1.5 ambi=1 { CB:18.7 } ::sumAvg: 4.73 atom: 1076 115D-HB2 B 2.14 ambi=2 { CB:39.6 } atom: 1114 119R-HG2 G 1.73 ambi=2 { CG:27.3 } :: atom: 1077 115D-HB3 B 2.63 ambi=2 { CB:39.6 } atom: 1114 119R-HG2 G 1.73 ambi=2 { CG:27.3 } :: atom: 1077 115D-HB3 B 2.63 ambi=2 { CB:39.6 } atom: 1115 119R-HG3 G 1.82 ambi=2 { CG:27.3 } ::sumAvg: 4.87 atom: 1114 119R-HG2 G 1.73 ambi=2 { CG:27.3 } atom: 1076 115D-HB2 B 2.14 ambi=2 { CB:39.6 } :: atom: 1114 119R-HG2 G 1.73 ambi=2 { CG:27.3 } atom: 1077 115D-HB3 B 2.63 ambi=2 { CB:39.6 } :: atom: 1115 119R-HG3 G 1.82 ambi=2 { CG:27.3 } atom: 1077 115D-HB3 B 2.63 ambi=2 { CB:39.6 } ::sumAvg: 4.87 atom: 1076 115D-HB2 B 2.14 ambi=2 { CB:39.6 } atom: 1116 119R-QD D 3.26 ambi=2 { CD:43.7 } :: atom: 1077 115D-HB3 B 2.63 ambi=2 { CB:39.6 } atom: 1116 119R-QD D 3.26 ambi=2 { CD:43.7 } ::sumAvg: 4.085 atom: 1093 117I-HB B 1.94 ambi=1 { CB:38.6 } atom: 1081 116E-H N 7.99 ambi=1 { N:120.8 } ::sumAvg: 4.94 atom: 1094 117I-HG12 G1 0.96 ambi=2 { CG1:29.3 } atom: 1081 116E-H N 7.99 ambi=1 { N:120.8 } :: atom: 1095 117I-HG13 G1 1.93 ambi=2 { CG1:29.3 } atom: 1081 116E-H N 7.99 ambi=1 { N:120.8 } ::sumAvg: 4.365 atom: 1082 116E-HA A 4.06 ambi=1 { CA:58.4 } atom: 1091 117I-H N 8.37 ambi=1 { N:119.7 } ::sumAvg: 3.43 atom: 1082 116E-HA A 4.06 ambi=1 { CA:58.4 } atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } ::sumAvg: 4.675 atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } atom: 1082 116E-HA A 4.06 ambi=1 { CA:58.4 } ::sumAvg: 4.675 atom: 1082 116E-HA A 4.06 ambi=1 { CA:58.4 } atom: 1110 119R-H N 7.45 ambi=1 { N:118.4 } ::sumAvg: 3.59 atom: 1082 116E-HA A 4.06 ambi=1 { CA:58.4 } atom: 1114 119R-HG2 G 1.73 ambi=2 { CG:27.3 } :: atom: 1082 116E-HA A 4.06 ambi=1 { CA:58.4 } atom: 1115 119R-HG3 G 1.82 ambi=2 { CG:27.3 } ::sumAvg: 4.3 atom: 1082 116E-HA A 4.06 ambi=1 { CA:58.4 } atom: 1116 119R-QD D 3.26 ambi=2 { CD:43.7 } ::sumAvg: 4.06 atom: 1082 116E-HA A 4.06 ambi=1 { CA:58.4 } atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } ::sumAvg: 4.11 atom: 1083 116E-HB2 B 2.12 ambi=2 { CB:29 } atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } :: atom: 1084 116E-HB3 B 2.17 ambi=2 { CB:29 } atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } ::sumAvg: 4.2 atom: 1083 116E-HB2 B 2.12 ambi=2 { CB:29 } atom: 1094 117I-HG12 G1 0.96 ambi=2 { CG1:29.3 } :: atom: 1084 116E-HB3 B 2.17 ambi=2 { CB:29 } atom: 1094 117I-HG12 G1 0.96 ambi=2 { CG1:29.3 } ::sumAvg: 3.745 atom: 1094 117I-HG12 G1 0.96 ambi=2 { CG1:29.3 } atom: 1083 116E-HB2 B 2.12 ambi=2 { CB:29 } :: atom: 1094 117I-HG12 G1 0.96 ambi=2 { CG1:29.3 } atom: 1084 116E-HB3 B 2.17 ambi=2 { CB:29 } ::sumAvg: 3.745 atom: 1085 116E-HG2 G 2.25 ambi=2 { CG:35.8 } atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } :: atom: 1086 116E-HG3 G 2.35 ambi=2 { CG:35.8 } atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } ::sumAvg: 4.99 atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } atom: 1085 116E-HG2 G 2.25 ambi=2 { CG:35.8 } :: atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } atom: 1086 116E-HG3 G 2.35 ambi=2 { CG:35.8 } ::sumAvg: 4.99 atom: 1094 117I-HG12 G1 0.96 ambi=2 { CG1:29.3 } atom: 1085 116E-HG2 G 2.25 ambi=2 { CG:35.8 } :: atom: 1094 117I-HG12 G1 0.96 ambi=2 { CG1:29.3 } atom: 1086 116E-HG3 G 2.35 ambi=2 { CG:35.8 } :: atom: 1095 117I-HG13 G1 1.93 ambi=2 { CG1:29.3 } atom: 1086 116E-HG3 G 2.35 ambi=2 { CG:35.8 } ::sumAvg: 4.415 atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } atom: 1104 118A-H N 7.72 ambi=1 { N:119.9 } ::sumAvg: 3.54 atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } atom: 1105 118A-HA A 4.25 ambi=1 { CA:52.9 } ::sumAvg: 4.755 atom: 1105 118A-HA A 4.25 ambi=1 { CA:52.9 } atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } ::sumAvg: 4.755 atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } atom: 1110 119R-H N 7.45 ambi=1 { N:118.4 } ::sumAvg: 4.23 atom: 1125 120E-HB2 B 1.97 ambi=2 { CB:30.1 } atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } :: atom: 1126 120E-HB3 B 2.11 ambi=2 { CB:30.1 } atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } ::sumAvg: 3.24 atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } atom: 1127 120E-HG2 G 2.28 ambi=2 { CG:36 } :: atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } atom: 1128 120E-HG3 G 2.31 ambi=2 { CG:36 } ::sumAvg: 4.965 atom: 1127 120E-HG2 G 2.28 ambi=2 { CG:36 } atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } :: atom: 1128 120E-HG3 G 2.31 ambi=2 { CG:36 } atom: 1092 117I-HA A 3.61 ambi=1 { CA:64.8 } ::sumAvg: 4.965 atom: 1093 117I-HB B 1.94 ambi=1 { CB:38.6 } atom: 1105 118A-HA A 4.25 ambi=1 { CA:52.9 } ::sumAvg: 4.375 atom: 1105 118A-HA A 4.25 ambi=1 { CA:52.9 } atom: 1093 117I-HB B 1.94 ambi=1 { CB:38.6 } ::sumAvg: 4.375 atom: 1093 117I-HB B 1.94 ambi=1 { CB:38.6 } atom: 1106 118A-HB B 1.5 ambi=1 { CB:18.7 } ::sumAvg: 3.98 atom: 1106 118A-HB B 1.5 ambi=1 { CB:18.7 } atom: 1093 117I-HB B 1.94 ambi=1 { CB:38.6 } ::sumAvg: 3.98 atom: 1093 117I-HB B 1.94 ambi=1 { CB:38.6 } atom: 1110 119R-H N 7.45 ambi=1 { N:118.4 } ::sumAvg: 4.86 atom: 1096 117I-HG2 G2 0.95 ambi=1 { CG2:17.6 } atom: 1110 119R-H N 7.45 ambi=1 { N:118.4 } ::sumAvg: 4.735 atom: 1096 117I-HG2 G2 0.95 ambi=1 { CG2:17.6 } atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } ::sumAvg: 4.825 atom: 1125 120E-HB2 B 1.97 ambi=2 { CB:30.1 } atom: 1096 117I-HG2 G2 0.95 ambi=1 { CG2:17.6 } :: atom: 1126 120E-HB3 B 2.11 ambi=2 { CB:30.1 } atom: 1096 117I-HG2 G2 0.95 ambi=1 { CG2:17.6 } ::sumAvg: 4.645 atom: 1097 117I-HD1 D1 0.74 ambi=1 { CD1:14.4 } atom: 1104 118A-H N 7.72 ambi=1 { N:119.9 } ::sumAvg: 4.5 atom: 1112 119R-HB2 B 2.03 ambi=2 { CB:31 } atom: 1104 118A-H N 7.72 ambi=1 { N:119.9 } :: atom: 1113 119R-HB3 B 1.88 ambi=2 { CB:31 } atom: 1104 118A-H N 7.72 ambi=1 { N:119.9 } ::sumAvg: 4.825 atom: 1105 118A-HA A 4.25 ambi=1 { CA:52.9 } atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } ::sumAvg: 4.415 atom: 1106 118A-HB B 1.5 ambi=1 { CB:18.7 } atom: 1111 119R-HA A 4.11 ambi=1 { CA:57.6 } ::sumAvg: 3.875 atom: 1111 119R-HA A 4.11 ambi=1 { CA:57.6 } atom: 1106 118A-HB B 1.5 ambi=1 { CB:18.7 } ::sumAvg: 3.875 atom: 1106 118A-HB B 1.5 ambi=1 { CB:18.7 } atom: 1112 119R-HB2 B 2.03 ambi=2 { CB:31 } ::sumAvg: 4.34 atom: 1106 118A-HB B 1.5 ambi=1 { CB:18.7 } atom: 1116 119R-QD D 3.26 ambi=2 { CD:43.7 } ::sumAvg: 4.92 atom: 1116 119R-QD D 3.26 ambi=2 { CD:43.7 } atom: 1106 118A-HB B 1.5 ambi=1 { CB:18.7 } ::sumAvg: 4.92 atom: 1106 118A-HB B 1.5 ambi=1 { CB:18.7 } atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } ::sumAvg: 4.58 atom: 1114 119R-HG2 G 1.73 ambi=2 { CG:27.3 } atom: 1110 119R-H N 7.45 ambi=1 { N:118.4 } :: atom: 1115 119R-HG3 G 1.82 ambi=2 { CG:27.3 } atom: 1110 119R-H N 7.45 ambi=1 { N:118.4 } ::sumAvg: 3.49 atom: 1116 119R-QD D 3.26 ambi=2 { CD:43.7 } atom: 1110 119R-H N 7.45 ambi=1 { N:118.4 } ::sumAvg: 4.285 atom: 1125 120E-HB2 B 1.97 ambi=2 { CB:30.1 } atom: 1110 119R-H N 7.45 ambi=1 { N:118.4 } :: atom: 1126 120E-HB3 B 2.11 ambi=2 { CB:30.1 } atom: 1110 119R-H N 7.45 ambi=1 { N:118.4 } ::sumAvg: 4.68 atom: 1111 119R-HA A 4.11 ambi=1 { CA:57.6 } atom: 1116 119R-QD D 3.26 ambi=2 { CD:43.7 } ::sumAvg: 3.075 atom: 1111 119R-HA A 4.11 ambi=1 { CA:57.6 } atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } ::sumAvg: 3.365 atom: 1112 119R-HB2 B 2.03 ambi=2 { CB:31 } atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } :: atom: 1113 119R-HB3 B 1.88 ambi=2 { CB:31 } atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } ::sumAvg: 3.065 atom: 1112 119R-HB2 B 2.03 ambi=2 { CB:31 } atom: 1124 120E-HA A 4.28 ambi=1 { CA:57.6 } :: atom: 1113 119R-HB3 B 1.88 ambi=2 { CB:31 } atom: 1124 120E-HA A 4.28 ambi=1 { CA:57.6 } ::sumAvg: 4.475 atom: 1113 119R-HB3 B 1.88 ambi=2 { CB:31 } atom: 1127 120E-HG2 G 2.28 ambi=2 { CG:36 } :: atom: 1113 119R-HB3 B 1.88 ambi=2 { CB:31 } atom: 1128 120E-HG3 G 2.31 ambi=2 { CG:36 } ::sumAvg: 4.94 atom: 1127 120E-HG2 G 2.28 ambi=2 { CG:36 } atom: 1113 119R-HB3 B 1.88 ambi=2 { CB:31 } :: atom: 1128 120E-HG3 G 2.31 ambi=2 { CG:36 } atom: 1113 119R-HB3 B 1.88 ambi=2 { CB:31 } ::sumAvg: 4.94 atom: 1114 119R-HG2 G 1.73 ambi=2 { CG:27.3 } atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } :: atom: 1115 119R-HG3 G 1.82 ambi=2 { CG:27.3 } atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } ::sumAvg: 4.085 atom: 1116 119R-QD D 3.26 ambi=2 { CD:43.7 } atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } ::sumAvg: 4.835 atom: 1124 120E-HA A 4.28 ambi=1 { CA:57.6 } atom: 1123 120E-H N 8.89 ambi=1 { N:114.9 } ::sumAvg: 2.865 atom: 1124 120E-HA A 4.28 ambi=1 { CA:57.6 } atom: 1127 120E-HG2 G 2.28 ambi=2 { CG:36 } :: atom: 1124 120E-HA A 4.28 ambi=1 { CA:57.6 } atom: 1128 120E-HG3 G 2.31 ambi=2 { CG:36 } ::sumAvg: 3.08