# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 22 6T-H N 7.95 ambi=1 { N:113.2 } atom: 1 3D-HA A 4.65 ambi=1 { CA:54.1 } ::sumAvg: 3.58 atom: 30 7R-H N 8.07 ambi=1 { N:121.6 } atom: 1 3D-HA A 4.65 ambi=1 { CA:54.1 } ::sumAvg: 4.58 atom: 30 7R-H N 8.07 ambi=1 { N:121.6 } atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } ::sumAvg: 3.915 atom: 22 6T-H N 7.95 ambi=1 { N:113.2 } atom: 6 4E-H N 8.75 ambi=1 { N:122.1 } ::sumAvg: 4.15 atom: 6 4E-H N 8.75 ambi=1 { N:122.1 } atom: 30 7R-H N 8.07 ambi=1 { N:121.6 } ::sumAvg: 4.78 atom: 30 7R-H N 8.07 ambi=1 { N:121.6 } atom: 6 4E-H N 8.75 ambi=1 { N:122.1 } ::sumAvg: 4.78 atom: 30 7R-H N 8.07 ambi=1 { N:121.6 } atom: 8 4E-QB B 2.03 ambi=2 { CB:29.4 } ::sumAvg: 4.96 atom: 43 8R-H N 8.18 ambi=1 { N:120.5 } atom: 8 4E-QB B 2.03 ambi=2 { CB:29.4 } ::sumAvg: 4.965 atom: 30 7R-H N 8.07 ambi=1 { N:121.6 } atom: 10 4E-QG G 2.32 ambi=2 { CG:35.9 } ::sumAvg: 4.99 atom: 30 7R-H N 8.07 ambi=1 { N:121.6 } atom: 18 5A-HB B 1.47 ambi=1 { CB:18.5 } ::sumAvg: 4.59 atom: 56 9V-H N 7.9 ambi=1 { N:119.6 } atom: 18 5A-HB B 1.47 ambi=1 { CB:18.5 } ::sumAvg: 4.655 atom: 56 9V-H N 7.9 ambi=1 { N:119.6 } atom: 25 6T-HG2 G2 1.24 ambi=1 { CG2:22 } ::sumAvg: 4.57 atom: 83 12E-H N 7.79 ambi=1 { N:119.8 } atom: 44 8R-HA A 4.19 ambi=1 { CA:57.8 } ::sumAvg: 4.83 atom: 83 12E-H N 7.79 ambi=1 { N:119.8 } atom: 59 9V-HG1 G1 1.01 ambi=2 { CG1:21.1 } :: atom: 83 12E-H N 7.79 ambi=1 { N:119.8 } atom: 60 9V-HG2 G2 1.1 ambi=2 { CG2:21.8 } ::sumAvg: 4.32 atom: 1507 139A-H N 8.35 ambi=1 { N:120.5 } atom: 59 9V-HG1 G1 1.01 ambi=2 { CG1:21.1 } :: atom: 1507 139A-H N 8.35 ambi=1 { N:120.5 } atom: 60 9V-HG2 G2 1.1 ambi=2 { CG2:21.8 } ::sumAvg: 4.785 atom: 66 10V-H N 8.12 ambi=1 { N:118.3 } atom: 93 13I-H N 7.66 ambi=1 { N:122.5 } ::sumAvg: 4.82 atom: 93 13I-H N 7.66 ambi=1 { N:122.5 } atom: 66 10V-H N 8.12 ambi=1 { N:118.3 } ::sumAvg: 4.82 atom: 66 10V-H N 8.12 ambi=1 { N:118.3 } atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } ::sumAvg: 4.775 atom: 83 12E-H N 7.79 ambi=1 { N:119.8 } atom: 67 10V-HA A 3.81 ambi=1 { CA:64.2 } ::sumAvg: 3.995 atom: 76 11S-H N 8.07 ambi=1 { N:116.9 } atom: 93 13I-H N 7.66 ambi=1 { N:122.5 } ::sumAvg: 3.88 atom: 93 13I-H N 7.66 ambi=1 { N:122.5 } atom: 76 11S-H N 8.07 ambi=1 { N:116.9 } ::sumAvg: 3.88 atom: 83 12E-H N 7.79 ambi=1 { N:119.8 } atom: 94 13I-HA A 4.14 ambi=1 { CA:59.2 } ::sumAvg: 4.95 atom: 83 12E-H N 7.79 ambi=1 { N:119.8 } atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } ::sumAvg: 4.87 atom: 83 12E-H N 7.79 ambi=1 { N:119.8 } atom: 111 14P-HD2 D 3.72 ambi=2 { CD:50.7 } :: atom: 83 12E-H N 7.79 ambi=1 { N:119.8 } atom: 112 14P-HD3 D 4.08 ambi=2 { CD:50.7 } ::sumAvg: 4.93 atom: 469 45N-HD21 D2 7.98 ambi=2 { ND2:110.8 } atom: 84 12E-HA A 4.35 ambi=1 { CA:56 } :: atom: 470 45N-HD22 D2 6.74 ambi=2 { ND2:110.8 } atom: 84 12E-HA A 4.35 ambi=1 { CA:56 } ::sumAvg: 3.09 atom: 430 42Y-H N 8.25 ambi=1 { N:119.9 } atom: 96 13I-HG12 G1 0.36 ambi=2 { CG1:27.5 } :: atom: 430 42Y-H N 8.25 ambi=1 { N:119.9 } atom: 97 13I-HG13 G1 1.61 ambi=2 { CG1:27.5 } ::sumAvg: 4.17 atom: 93 13I-H N 7.66 ambi=1 { N:122.5 } atom: 106 14P-HA A 4.51 ambi=1 { CA:63.3 } ::sumAvg: 4.705 atom: 93 13I-H N 7.66 ambi=1 { N:122.5 } atom: 109 14P-QG G 2.1 ambi=2 { CG:27.7 } ::sumAvg: 4.855 atom: 93 13I-H N 7.66 ambi=1 { N:122.5 } atom: 111 14P-HD2 D 3.72 ambi=2 { CD:50.7 } :: atom: 93 13I-H N 7.66 ambi=1 { N:122.5 } atom: 112 14P-HD3 D 4.08 ambi=2 { CD:50.7 } ::sumAvg: 3.385 atom: 93 13I-H N 7.66 ambi=1 { N:122.5 } atom: 1477 136H-HD2 D2 5.82 ambi=1 { CD2:115.6 } ::sumAvg: 4.98 atom: 391 39L-H N 8.42 ambi=1 { N:120.8 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 4.805 atom: 430 42Y-H N 8.25 ambi=1 { N:119.9 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 4.22 atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 4.645 atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 4.1 atom: 430 42Y-H N 8.25 ambi=1 { N:119.9 } atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } ::sumAvg: 4.775 atom: 469 45N-HD21 D2 7.98 ambi=2 { ND2:110.8 } atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } :: atom: 470 45N-HD22 D2 6.74 ambi=2 { ND2:110.8 } atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } ::sumAvg: 4.56 atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } atom: 118 15V-HA A 4.44 ambi=1 { CA:61.6 } ::sumAvg: 4.83 atom: 127 16L-H N 9.12 ambi=1 { N:126.3 } atom: 1432 132F-H N 6.28 ambi=1 { N:113.4 } ::sumAvg: 4.615 atom: 127 16L-H N 9.12 ambi=1 { N:126.3 } atom: 1433 132F-HA A 4.03 ambi=1 { CA:51.9 } ::sumAvg: 4.57 atom: 127 16L-H N 9.12 ambi=1 { N:126.3 } atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } ::sumAvg: 4.955 atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } atom: 127 16L-H N 9.12 ambi=1 { N:126.3 } ::sumAvg: 4.955 atom: 164 19N-H N 9.34 ambi=1 { N:128.7 } atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } ::sumAvg: 4.335 atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } atom: 131 16L-HG G 1.7 ambi=1 { CG:31.1 } ::sumAvg: 4.665 atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } atom: 132 16L-HD1 D1 1 ambi=2 { CD1:27 } :: atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } atom: 133 16L-HD2 D2 1.18 ambi=2 { CD2:25.5 } ::sumAvg: 4.205 atom: 164 19N-H N 9.34 ambi=1 { N:128.7 } atom: 132 16L-HD1 D1 1 ambi=2 { CD1:27 } :: atom: 164 19N-H N 9.34 ambi=1 { N:128.7 } atom: 133 16L-HD2 D2 1.18 ambi=2 { CD2:25.5 } ::sumAvg: 4.82 atom: 1432 132F-H N 6.28 ambi=1 { N:113.4 } atom: 132 16L-HD1 D1 1 ambi=2 { CD1:27 } :: atom: 1432 132F-H N 6.28 ambi=1 { N:113.4 } atom: 133 16L-HD2 D2 1.18 ambi=2 { CD2:25.5 } ::sumAvg: 4.675 atom: 140 17K-H N 8.31 ambi=1 { N:116.8 } atom: 157 18T-HA A 3.89 ambi=1 { CA:65.4 } ::sumAvg: 4.76 atom: 140 17K-H N 8.31 ambi=1 { N:116.8 } atom: 295 31R-HA A 4.12 ambi=1 { CA:58.1 } ::sumAvg: 4.88 atom: 140 17K-H N 8.31 ambi=1 { N:116.8 } atom: 337 34E-HB2 B 2.27 ambi=1 { CB:29.2 } :: atom: 140 17K-H N 8.31 ambi=1 { N:116.8 } atom: 338 34E-HB3 B 2.71 ambi=1 { CB:29.2 } ::sumAvg: 3.34 atom: 140 17K-H N 8.31 ambi=1 { N:116.8 } atom: 339 34E-HG2 G 2.4 ambi=2 { CG:35.5 } :: atom: 140 17K-H N 8.31 ambi=1 { N:116.8 } atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } ::sumAvg: 3.26 atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } atom: 295 31R-HA A 4.12 ambi=1 { CA:58.1 } ::sumAvg: 4.41 atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } atom: 337 34E-HB2 B 2.27 ambi=1 { CB:29.2 } :: atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } atom: 338 34E-HB3 B 2.71 ambi=1 { CB:29.2 } ::sumAvg: 4.71 atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } atom: 339 34E-HG2 G 2.4 ambi=2 { CG:35.5 } :: atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } ::sumAvg: 3.61 atom: 287 30Q-HE21 E2 6.95 ambi=2 { NE2:113.9 } atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } :: atom: 288 30Q-HE22 E2 8.08 ambi=2 { NE2:113.9 } atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } ::sumAvg: 4.695 atom: 252 28W-H N 8.01 ambi=1 { N:121.6 } atom: 159 18T-HG2 G2 1.25 ambi=1 { CG2:22 } ::sumAvg: 4.985 atom: 164 19N-H N 9.34 ambi=1 { N:128.7 } atom: 175 20A-HA A 4.74 ambi=1 { CA:51.9 } ::sumAvg: 4.845 atom: 164 19N-H N 9.34 ambi=1 { N:128.7 } atom: 176 20A-HB B 1.47 ambi=1 { CB:24.4 } ::sumAvg: 4.05 atom: 164 19N-H N 9.34 ambi=1 { N:128.7 } atom: 168 19N-HD21 D2 6.5 ambi=2 { ND2:107.7 } :: atom: 164 19N-H N 9.34 ambi=1 { N:128.7 } atom: 169 19N-HD22 D2 7.45 ambi=2 { ND2:107.7 } ::sumAvg: 4.28 atom: 164 19N-H N 9.34 ambi=1 { N:128.7 } atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } ::sumAvg: 4.545 atom: 164 19N-H N 9.34 ambi=1 { N:128.7 } atom: 300 31R-QD D 2.71 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.75 atom: 168 19N-HD21 D2 6.5 ambi=2 { ND2:107.7 } atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } :: atom: 169 19N-HD22 D2 7.45 ambi=2 { ND2:107.7 } atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } ::sumAvg: 3.485 atom: 1416 131K-H N 8.76 ambi=1 { N:122.6 } atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } ::sumAvg: 4.88 atom: 168 19N-HD21 D2 6.5 ambi=2 { ND2:107.7 } atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } :: atom: 169 19N-HD22 D2 7.45 ambi=2 { ND2:107.7 } atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } ::sumAvg: 3.79 atom: 168 19N-HD21 D2 6.5 ambi=2 { ND2:107.7 } atom: 1416 131K-H N 8.76 ambi=1 { N:122.6 } :: atom: 169 19N-HD22 D2 7.45 ambi=2 { ND2:107.7 } atom: 1416 131K-H N 8.76 ambi=1 { N:122.6 } ::sumAvg: 3.825 atom: 1416 131K-H N 8.76 ambi=1 { N:122.6 } atom: 168 19N-HD21 D2 6.5 ambi=2 { ND2:107.7 } :: atom: 1416 131K-H N 8.76 ambi=1 { N:122.6 } atom: 169 19N-HD22 D2 7.45 ambi=2 { ND2:107.7 } ::sumAvg: 3.825 atom: 169 19N-HD22 D2 7.45 ambi=2 { ND2:107.7 } atom: 1432 132F-H N 6.28 ambi=1 { N:113.4 } ::sumAvg: 4.94 atom: 1432 132F-H N 6.28 ambi=1 { N:113.4 } atom: 169 19N-HD22 D2 7.45 ambi=2 { ND2:107.7 } ::sumAvg: 4.94 atom: 180 21G-H N 8.82 ambi=1 { N:107 } atom: 258 28W-HE3 E3 7.31 ambi=1 { CE3:122.1 } ::sumAvg: 4.86 atom: 180 21G-H N 8.82 ambi=1 { N:107 } atom: 300 31R-QD D 2.71 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.25 atom: 196 23R-H N 8.5 ambi=1 { N:116.8 } atom: 254 28W-HB2 B 3.29 ambi=1 { CB:29.5 } ::sumAvg: 4.88 atom: 209 24D-H N 8.17 ambi=1 { N:119.3 } atom: 254 28W-HB2 B 3.29 ambi=1 { CB:29.5 } ::sumAvg: 3.95 atom: 271 29V-H N 7.5 ambi=1 { N:116.1 } atom: 217 25R-HA A 3.99 ambi=1 { CA:58.8 } ::sumAvg: 3.925 atom: 271 29V-H N 7.5 ambi=1 { N:116.1 } atom: 219 25R-HB3 B 2.12 ambi=1 { CB:28.7 } ::sumAvg: 4.91 atom: 229 26E-H N 9.25 ambi=1 { N:121.5 } atom: 255 28W-HB3 B 3.79 ambi=1 { CB:29.5 } ::sumAvg: 4.8 atom: 229 26E-H N 9.25 ambi=1 { N:121.5 } atom: 271 29V-H N 7.5 ambi=1 { N:116.1 } ::sumAvg: 4.88 atom: 271 29V-H N 7.5 ambi=1 { N:116.1 } atom: 229 26E-H N 9.25 ambi=1 { N:121.5 } ::sumAvg: 4.88 atom: 257 28W-HE1 E1 9.86 ambi=1 { NE1:125.7 } atom: 657 62G-H N 7.82 ambi=1 { N:107.1 } ::sumAvg: 4.62 atom: 657 62G-H N 7.82 ambi=1 { N:107.1 } atom: 257 28W-HE1 E1 9.86 ambi=1 { NE1:125.7 } ::sumAvg: 4.62 atom: 257 28W-HE1 E1 9.86 ambi=1 { NE1:125.7 } atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } ::sumAvg: 4.61 atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } atom: 257 28W-HE1 E1 9.86 ambi=1 { NE1:125.7 } ::sumAvg: 4.61 atom: 257 28W-HE1 E1 9.86 ambi=1 { NE1:125.7 } atom: 663 63T-HA A 4.41 ambi=1 { CA:61.7 } ::sumAvg: 4.905 atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } atom: 259 28W-HZ2 Z2 7.92 ambi=1 { CZ2:114.2 } ::sumAvg: 4.415 atom: 271 29V-H N 7.5 ambi=1 { N:116.1 } atom: 306 32L-H N 8.86 ambi=1 { N:120.3 } ::sumAvg: 4.685 atom: 306 32L-H N 8.86 ambi=1 { N:120.3 } atom: 271 29V-H N 7.5 ambi=1 { N:116.1 } ::sumAvg: 4.685 atom: 281 30Q-H N 7.16 ambi=1 { N:118.6 } atom: 319 33K-H N 7.57 ambi=1 { N:118.4 } ::sumAvg: 4.795 atom: 319 33K-H N 7.57 ambi=1 { N:118.4 } atom: 281 30Q-H N 7.16 ambi=1 { N:118.6 } ::sumAvg: 4.795 atom: 306 32L-H N 8.86 ambi=1 { N:120.3 } atom: 283 30Q-QB B 2.23 ambi=2 { CB:28 } ::sumAvg: 4.65 atom: 319 33K-H N 7.57 ambi=1 { N:118.4 } atom: 283 30Q-QB B 2.23 ambi=2 { CB:28 } ::sumAvg: 4.925 atom: 294 31R-H N 8.2 ambi=1 { N:121 } atom: 335 34E-H N 7.68 ambi=1 { N:119.4 } ::sumAvg: 4.79 atom: 345 35E-H N 8.98 ambi=1 { N:120.6 } atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } ::sumAvg: 4.575 atom: 306 32L-H N 8.86 ambi=1 { N:120.3 } atom: 321 33K-QB B 2.06 ambi=2 { CB:32 } ::sumAvg: 4.615 atom: 355 36Y-H N 8.83 ambi=1 { N:118.4 } atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } :: atom: 355 36Y-H N 8.83 ambi=1 { N:118.4 } atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } ::sumAvg: 4.89 atom: 404 40I-H N 8.86 ambi=1 { N:118.5 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } ::sumAvg: 4.775 atom: 417 41R-H N 7.64 ambi=1 { N:119 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } ::sumAvg: 4.885 atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } ::sumAvg: 4.19 atom: 319 33K-H N 7.57 ambi=1 { N:118.4 } atom: 337 34E-HB2 B 2.27 ambi=1 { CB:29.2 } ::sumAvg: 4.745 atom: 355 36Y-H N 8.83 ambi=1 { N:118.4 } atom: 319 33K-H N 7.57 ambi=1 { N:118.4 } ::sumAvg: 4.66 atom: 319 33K-H N 7.57 ambi=1 { N:118.4 } atom: 361 36Y-QE E 6.81 ambi=3 { CE1:117.8 } ::sumAvg: 4.95 atom: 345 35E-H N 8.98 ambi=1 { N:120.6 } atom: 321 33K-QB B 2.06 ambi=2 { CB:32 } ::sumAvg: 4.715 atom: 355 36Y-H N 8.83 ambi=1 { N:118.4 } atom: 321 33K-QB B 2.06 ambi=2 { CB:32 } ::sumAvg: 4.825 atom: 370 37Q-H N 8.21 ambi=1 { N:117.4 } atom: 321 33K-QB B 2.06 ambi=2 { CB:32 } ::sumAvg: 4.98 atom: 376 37Q-HE21 E2 7.61 ambi=2 { NE2:111.4 } atom: 321 33K-QB B 2.06 ambi=2 { CB:32 } :: atom: 377 37Q-HE22 E2 6.94 ambi=2 { NE2:111.4 } atom: 321 33K-QB B 2.06 ambi=2 { CB:32 } ::sumAvg: 4.385 atom: 335 34E-H N 7.68 ambi=1 { N:119.4 } atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } ::sumAvg: 4.995 atom: 370 37Q-H N 8.21 ambi=1 { N:117.4 } atom: 335 34E-H N 7.68 ambi=1 { N:119.4 } ::sumAvg: 4.915 atom: 345 35E-H N 8.98 ambi=1 { N:120.6 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } ::sumAvg: 4.93 atom: 345 35E-H N 8.98 ambi=1 { N:120.6 } atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } ::sumAvg: 4.69 atom: 345 35E-H N 8.98 ambi=1 { N:120.6 } atom: 383 38S-H N 8.3 ambi=1 { N:114.9 } ::sumAvg: 4.835 atom: 383 38S-H N 8.3 ambi=1 { N:114.9 } atom: 345 35E-H N 8.98 ambi=1 { N:120.6 } ::sumAvg: 4.835 atom: 391 39L-H N 8.42 ambi=1 { N:120.8 } atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } ::sumAvg: 3.885 atom: 1454 134L-H N 10.28 ambi=1 { N:125 } atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } ::sumAvg: 4.425 atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } ::sumAvg: 4.86 atom: 1454 134L-H N 10.28 ambi=1 { N:125 } atom: 347 35E-HB2 B 2.22 ambi=1 { CB:28.4 } :: atom: 1454 134L-H N 10.28 ambi=1 { N:125 } atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } ::sumAvg: 4.02 atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } atom: 347 35E-HB2 B 2.22 ambi=1 { CB:28.4 } ::sumAvg: 4.935 atom: 1454 134L-H N 10.28 ambi=1 { N:125 } atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } :: atom: 1454 134L-H N 10.28 ambi=1 { N:125 } atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } ::sumAvg: 3.365 atom: 355 36Y-H N 8.83 ambi=1 { N:118.4 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } ::sumAvg: 4.9 atom: 355 36Y-H N 8.83 ambi=1 { N:118.4 } atom: 361 36Y-QE E 6.81 ambi=3 { CE1:117.8 } ::sumAvg: 4.7 atom: 376 37Q-HE21 E2 7.61 ambi=2 { NE2:111.4 } atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } :: atom: 377 37Q-HE22 E2 6.94 ambi=2 { NE2:111.4 } atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } ::sumAvg: 4.99 atom: 370 37Q-H N 8.21 ambi=1 { N:117.4 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } ::sumAvg: 4.42 atom: 376 37Q-HE21 E2 7.61 ambi=2 { NE2:111.4 } atom: 370 37Q-H N 8.21 ambi=1 { N:117.4 } :: atom: 377 37Q-HE22 E2 6.94 ambi=2 { NE2:111.4 } atom: 370 37Q-H N 8.21 ambi=1 { N:117.4 } ::sumAvg: 4.565 atom: 370 37Q-H N 8.21 ambi=1 { N:117.4 } atom: 393 39L-HB2 B 1.79 ambi=1 { CB:42.7 } ::sumAvg: 4.865 atom: 376 37Q-HE21 E2 7.61 ambi=2 { NE2:111.4 } atom: 371 37Q-HA A 4.15 ambi=1 { CA:59.3 } :: atom: 377 37Q-HE22 E2 6.94 ambi=2 { NE2:111.4 } atom: 371 37Q-HA A 4.15 ambi=1 { CA:59.3 } ::sumAvg: 4.29 atom: 383 38S-H N 8.3 ambi=1 { N:114.9 } atom: 393 39L-HB2 B 1.79 ambi=1 { CB:42.7 } ::sumAvg: 4.495 atom: 383 38S-H N 8.3 ambi=1 { N:114.9 } atom: 417 41R-H N 7.64 ambi=1 { N:119 } ::sumAvg: 4.685 atom: 391 39L-H N 8.42 ambi=1 { N:120.8 } atom: 387 38S-HG G 5.22 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.35 atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } atom: 387 38S-HG G 5.22 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.845 atom: 391 39L-H N 8.42 ambi=1 { N:120.8 } atom: 406 40I-HB B 1.98 ambi=1 { CB:37.8 } ::sumAvg: 4.8 atom: 391 39L-H N 8.42 ambi=1 { N:120.8 } atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } ::sumAvg: 3.63 atom: 404 40I-H N 8.86 ambi=1 { N:118.5 } atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } :: atom: 404 40I-H N 8.86 ambi=1 { N:118.5 } atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } ::sumAvg: 4.71 atom: 528 51N-HD21 D2 6.69 ambi=2 { ND2:110.7 } atom: 476 46N-HA A 4.38 ambi=1 { CA:55.3 } :: atom: 529 51N-HD22 D2 7.7 ambi=2 { ND2:110.7 } atom: 476 46N-HA A 4.38 ambi=1 { CA:55.3 } ::sumAvg: 4.74 atom: 511 49A-H N 7.52 ambi=1 { N:121.1 } atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } ::sumAvg: 4.425 atom: 534 52D-H N 8.49 ambi=1 { N:120 } atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } ::sumAvg: 4.115 atom: 455 44E-H N 8.37 ambi=1 { N:119.7 } atom: 417 41R-H N 7.64 ambi=1 { N:119 } ::sumAvg: 4.62 atom: 430 42Y-H N 8.25 ambi=1 { N:119.9 } atom: 470 45N-HD22 D2 6.74 ambi=2 { ND2:110.8 } ::sumAvg: 4.815 atom: 470 45N-HD22 D2 6.74 ambi=2 { ND2:110.8 } atom: 430 42Y-H N 8.25 ambi=1 { N:119.9 } ::sumAvg: 4.815 atom: 455 44E-H N 8.37 ambi=1 { N:119.7 } atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } ::sumAvg: 4.42 atom: 469 45N-HD21 D2 7.98 ambi=2 { ND2:110.8 } atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } :: atom: 470 45N-HD22 D2 6.74 ambi=2 { ND2:110.8 } atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } ::sumAvg: 4.51 atom: 465 45N-H N 8.47 ambi=1 { N:119.5 } atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } ::sumAvg: 4.95 atom: 469 45N-HD21 D2 7.98 ambi=2 { ND2:110.8 } atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } :: atom: 470 45N-HD22 D2 6.74 ambi=2 { ND2:110.8 } atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } ::sumAvg: 3.595 atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } atom: 446 43V-HA A 3.25 ambi=1 { CA:67.2 } ::sumAvg: 4.88 atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } :: atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } ::sumAvg: 4.675 atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } :: atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } ::sumAvg: 4.015 atom: 455 44E-H N 8.37 ambi=1 { N:119.7 } atom: 485 47K-H N 8.89 ambi=1 { N:122.1 } ::sumAvg: 4.635 atom: 485 47K-H N 8.89 ambi=1 { N:122.1 } atom: 455 44E-H N 8.37 ambi=1 { N:119.7 } ::sumAvg: 4.635 atom: 455 44E-H N 8.37 ambi=1 { N:119.7 } atom: 487 47K-QB B 1.91 ambi=2 { CB:32.2 } ::sumAvg: 4.83 atom: 455 44E-H N 8.37 ambi=1 { N:119.7 } atom: 491 47K-QD D 1.6 ambi=2 { CD:29.7 } ::sumAvg: 4.565 atom: 475 46N-H N 8.75 ambi=1 { N:122.2 } atom: 457 44E-HB2 B 2.1 ambi=2 { CB:29.2 } :: atom: 475 46N-H N 8.75 ambi=1 { N:122.2 } atom: 458 44E-HB3 B 2.21 ambi=2 { CB:29.2 } ::sumAvg: 4.93 atom: 505 48N-HD21 D2 7.04 ambi=2 { ND2:112.3 } atom: 457 44E-HB2 B 2.1 ambi=2 { CB:29.2 } :: atom: 506 48N-HD22 D2 7.75 ambi=2 { ND2:112.3 } atom: 457 44E-HB2 B 2.1 ambi=2 { CB:29.2 } :: atom: 505 48N-HD21 D2 7.04 ambi=2 { ND2:112.3 } atom: 458 44E-HB3 B 2.21 ambi=2 { CB:29.2 } :: atom: 506 48N-HD22 D2 7.75 ambi=2 { ND2:112.3 } atom: 458 44E-HB3 B 2.21 ambi=2 { CB:29.2 } ::sumAvg: 4.55 atom: 465 45N-H N 8.47 ambi=1 { N:119.5 } atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } ::sumAvg: 4.68 atom: 465 45N-H N 8.47 ambi=1 { N:119.5 } atom: 487 47K-QB B 1.91 ambi=2 { CB:32.2 } ::sumAvg: 4.895 atom: 505 48N-HD21 D2 7.04 ambi=2 { ND2:112.3 } atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } :: atom: 506 48N-HD22 D2 7.75 ambi=2 { ND2:112.3 } atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } :: atom: 505 48N-HD21 D2 7.04 ambi=2 { ND2:112.3 } atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } :: atom: 506 48N-HD22 D2 7.75 ambi=2 { ND2:112.3 } atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } ::sumAvg: 4.92 atom: 475 46N-H N 8.75 ambi=1 { N:122.2 } atom: 487 47K-QB B 1.91 ambi=2 { CB:32.2 } ::sumAvg: 4.42 atom: 475 46N-H N 8.75 ambi=1 { N:122.2 } atom: 511 49A-H N 7.52 ambi=1 { N:121.1 } ::sumAvg: 4.6 atom: 511 49A-H N 7.52 ambi=1 { N:121.1 } atom: 475 46N-H N 8.75 ambi=1 { N:122.2 } ::sumAvg: 4.6 atom: 479 46N-HD21 D2 4.55 ambi=2 { ND2:104.6 } atom: 485 47K-H N 8.89 ambi=1 { N:122.1 } :: atom: 480 46N-HD22 D2 7.24 ambi=2 { ND2:104.6 } atom: 485 47K-H N 8.89 ambi=1 { N:122.1 } ::sumAvg: 4.98 atom: 479 46N-HD21 D2 4.55 ambi=2 { ND2:104.6 } atom: 526 51N-HB2 B 2.37 ambi=2 { CB:39.9 } :: atom: 479 46N-HD21 D2 4.55 ambi=2 { ND2:104.6 } atom: 527 51N-HB3 B 2.76 ambi=2 { CB:39.9 } :: atom: 480 46N-HD22 D2 7.24 ambi=2 { ND2:104.6 } atom: 526 51N-HB2 B 2.37 ambi=2 { CB:39.9 } :: atom: 480 46N-HD22 D2 7.24 ambi=2 { ND2:104.6 } atom: 527 51N-HB3 B 2.76 ambi=2 { CB:39.9 } ::sumAvg: 4.19 atom: 528 51N-HD21 D2 6.69 ambi=2 { ND2:110.7 } atom: 479 46N-HD21 D2 4.55 ambi=2 { ND2:104.6 } :: atom: 529 51N-HD22 D2 7.7 ambi=2 { ND2:110.7 } atom: 479 46N-HD21 D2 4.55 ambi=2 { ND2:104.6 } :: atom: 528 51N-HD21 D2 6.69 ambi=2 { ND2:110.7 } atom: 480 46N-HD22 D2 7.24 ambi=2 { ND2:104.6 } :: atom: 529 51N-HD22 D2 7.7 ambi=2 { ND2:110.7 } atom: 480 46N-HD22 D2 7.24 ambi=2 { ND2:104.6 } ::sumAvg: 3.99 atom: 479 46N-HD21 D2 4.55 ambi=2 { ND2:104.6 } atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } ::sumAvg: 3.47 atom: 480 46N-HD22 D2 7.24 ambi=2 { ND2:104.6 } atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } ::sumAvg: 4.985 atom: 479 46N-HD21 D2 4.55 ambi=2 { ND2:104.6 } atom: 543 53W-HB2 B 2.65 ambi=1 { CB:29.6 } :: atom: 479 46N-HD21 D2 4.55 ambi=2 { ND2:104.6 } atom: 544 53W-HB3 B 4.08 ambi=1 { CB:29.6 } :: atom: 480 46N-HD22 D2 7.24 ambi=2 { ND2:104.6 } atom: 543 53W-HB2 B 2.65 ambi=1 { CB:29.6 } :: atom: 480 46N-HD22 D2 7.24 ambi=2 { ND2:104.6 } atom: 544 53W-HB3 B 4.08 ambi=1 { CB:29.6 } ::sumAvg: 4.235 atom: 479 46N-HD21 D2 4.55 ambi=2 { ND2:104.6 } atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } :: atom: 480 46N-HD22 D2 7.24 ambi=2 { ND2:104.6 } atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } ::sumAvg: 4.89 atom: 485 47K-H N 8.89 ambi=1 { N:122.1 } atom: 513 49A-HB B 1.5 ambi=1 { CB:19 } ::sumAvg: 4.8 atom: 485 47K-H N 8.89 ambi=1 { N:122.1 } atom: 517 50D-H N 7.96 ambi=1 { N:116.9 } ::sumAvg: 4.83 atom: 517 50D-H N 7.96 ambi=1 { N:116.9 } atom: 485 47K-H N 8.89 ambi=1 { N:122.1 } ::sumAvg: 4.83 atom: 505 48N-HD21 D2 7.04 ambi=2 { ND2:112.3 } atom: 487 47K-QB B 1.91 ambi=2 { CB:32.2 } :: atom: 506 48N-HD22 D2 7.75 ambi=2 { ND2:112.3 } atom: 487 47K-QB B 1.91 ambi=2 { CB:32.2 } ::sumAvg: 4.72 atom: 517 50D-H N 7.96 ambi=1 { N:116.9 } atom: 487 47K-QB B 1.91 ambi=2 { CB:32.2 } ::sumAvg: 4.55 atom: 505 48N-HD21 D2 7.04 ambi=2 { ND2:112.3 } atom: 501 48N-H N 8.2 ambi=1 { N:118.9 } :: atom: 506 48N-HD22 D2 7.75 ambi=2 { ND2:112.3 } atom: 501 48N-H N 8.2 ambi=1 { N:118.9 } ::sumAvg: 3.465 atom: 505 48N-HD21 D2 7.04 ambi=2 { ND2:112.3 } atom: 502 48N-HA A 4.54 ambi=1 { CA:55.3 } :: atom: 506 48N-HD22 D2 7.75 ambi=2 { ND2:112.3 } atom: 502 48N-HA A 4.54 ambi=1 { CA:55.3 } ::sumAvg: 4.23 atom: 528 51N-HD21 D2 6.69 ambi=2 { ND2:110.7 } atom: 545 53W-HD1 D1 7.87 ambi=1 { CD1:128.3 } ::sumAvg: 3.835 atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } atom: 537 52D-HB3 B 2.96 ambi=1 { CB:40.5 } ::sumAvg: 4.415 atom: 534 52D-H N 8.49 ambi=1 { N:120 } atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } ::sumAvg: 4.965 atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } atom: 561 54F-HA A 4.91 ambi=1 { CA:57 } ::sumAvg: 4.835 atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } :: atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } ::sumAvg: 4.485 atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } ::sumAvg: 4.035 atom: 747 70W-H N 9.24 ambi=1 { N:117.5 } atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } ::sumAvg: 3.875 atom: 546 53W-HE1 E1 9.85 ambi=1 { NE1:127.8 } atom: 543 53W-HB2 B 2.65 ambi=1 { CB:29.6 } :: atom: 546 53W-HE1 E1 9.85 ambi=1 { NE1:127.8 } atom: 544 53W-HB3 B 4.08 ambi=1 { CB:29.6 } ::sumAvg: 4.995 atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } atom: 543 53W-HB2 B 2.65 ambi=1 { CB:29.6 } :: atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } atom: 544 53W-HB3 B 4.08 ambi=1 { CB:29.6 } ::sumAvg: 3.295 atom: 546 53W-HE1 E1 9.85 ambi=1 { NE1:127.8 } atom: 550 53W-HH2 H2 7.04 ambi=1 { CH2:123.3 } ::sumAvg: 4.975 atom: 546 53W-HE1 E1 9.85 ambi=1 { NE1:127.8 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } ::sumAvg: 4.945 atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } atom: 547 53W-HE3 E3 7.9 ambi=1 { CE3:122.4 } ::sumAvg: 4.185 atom: 747 70W-H N 9.24 ambi=1 { N:117.5 } atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } ::sumAvg: 4.935 atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } ::sumAvg: 3.525 atom: 577 55R-H N 8.75 ambi=1 { N:118.8 } atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } ::sumAvg: 4.305 atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } ::sumAvg: 4.845 atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } atom: 747 70W-H N 9.24 ambi=1 { N:117.5 } ::sumAvg: 4.97 atom: 747 70W-H N 9.24 ambi=1 { N:117.5 } atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } ::sumAvg: 4.97 atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } ::sumAvg: 4.975 atom: 591 56L-H N 8.7 ambi=1 { N:123.1 } atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } ::sumAvg: 4.135 atom: 577 55R-H N 8.75 ambi=1 { N:118.8 } atom: 592 56L-HA A 5.07 ambi=1 { CA:54.3 } ::sumAvg: 4.71 atom: 577 55R-H N 8.75 ambi=1 { N:118.8 } atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } ::sumAvg: 4.395 atom: 577 55R-H N 8.75 ambi=1 { N:118.8 } atom: 725 68K-HA A 5.61 ambi=1 { CA:53.9 } ::sumAvg: 4.965 atom: 577 55R-H N 8.75 ambi=1 { N:118.8 } atom: 726 68K-HB2 B 1.44 ambi=1 { CB:38.2 } :: atom: 577 55R-H N 8.75 ambi=1 { N:118.8 } atom: 727 68K-HB3 B 1.49 ambi=1 { CB:38.2 } ::sumAvg: 4.505 atom: 577 55R-H N 8.75 ambi=1 { N:118.8 } atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } ::sumAvg: 2.82 atom: 577 55R-H N 8.75 ambi=1 { N:118.8 } atom: 756 70W-HH2 H2 6.84 ambi=1 { CH2:123.5 } ::sumAvg: 3.98 atom: 591 56L-H N 8.7 ambi=1 { N:123.1 } atom: 605 57E-HA A 4.51 ambi=1 { CA:54.6 } ::sumAvg: 4.815 atom: 591 56L-H N 8.7 ambi=1 { N:123.1 } atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } :: atom: 591 56L-H N 8.7 ambi=1 { N:123.1 } atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } ::sumAvg: 4.755 atom: 604 57E-H N 8.9 ambi=1 { N:122 } atom: 615 58S-HA A 4.75 ambi=1 { CA:55.8 } ::sumAvg: 4.775 atom: 604 57E-H N 8.9 ambi=1 { N:122 } atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } ::sumAvg: 4.805 atom: 604 57E-H N 8.9 ambi=1 { N:122 } atom: 684 65W-HA A 4.72 ambi=1 { CA:55.4 } ::sumAvg: 4.765 atom: 604 57E-H N 8.9 ambi=1 { N:122 } atom: 706 66F-QD D 6.87 ambi=3 { CD1:131.7 } ::sumAvg: 4.275 atom: 702 66F-H N 8.53 ambi=1 { N:117 } atom: 605 57E-HA A 4.51 ambi=1 { CA:54.6 } ::sumAvg: 4.87 atom: 614 58S-H N 7.8 ambi=1 { N:111.7 } atom: 702 66F-H N 8.53 ambi=1 { N:117 } ::sumAvg: 4.935 atom: 702 66F-H N 8.53 ambi=1 { N:117 } atom: 614 58S-H N 7.8 ambi=1 { N:111.7 } ::sumAvg: 4.935 atom: 614 58S-H N 7.8 ambi=1 { N:111.7 } atom: 708 66F-QE E 7 ambi=3 { CE1:130 } ::sumAvg: 4.545 atom: 670 64R-H N 7.61 ambi=1 { N:123.7 } atom: 616 58S-HB2 B 0.91 ambi=1 { CB:66.8 } ::sumAvg: 4.62 atom: 621 59N-H N 8.15 ambi=1 { N:116.8 } atom: 626 59N-HD22 D2 6.71 ambi=2 { ND2:110.7 } ::sumAvg: 4.45 atom: 631 60K-H N 8.83 ambi=1 { N:123.1 } atom: 621 59N-H N 8.15 ambi=1 { N:116.8 } ::sumAvg: 4.56 atom: 647 61E-H N 8.77 ambi=1 { N:115.4 } atom: 621 59N-H N 8.15 ambi=1 { N:116.8 } ::sumAvg: 4.86 atom: 621 59N-H N 8.15 ambi=1 { N:116.8 } atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } ::sumAvg: 4.825 atom: 621 59N-H N 8.15 ambi=1 { N:116.8 } atom: 706 66F-QD D 6.87 ambi=3 { CD1:131.7 } ::sumAvg: 4.55 atom: 647 61E-H N 8.77 ambi=1 { N:115.4 } atom: 622 59N-HA A 4.76 ambi=1 { CA:51.6 } ::sumAvg: 4.335 atom: 657 62G-H N 7.82 ambi=1 { N:107.1 } atom: 622 59N-HA A 4.76 ambi=1 { CA:51.6 } ::sumAvg: 4.355 atom: 657 62G-H N 7.82 ambi=1 { N:107.1 } atom: 623 59N-HB2 B 3.07 ambi=1 { CB:37.3 } :: atom: 657 62G-H N 7.82 ambi=1 { N:107.1 } atom: 624 59N-HB3 B 3.59 ambi=1 { CB:37.3 } ::sumAvg: 3.355 atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } atom: 623 59N-HB2 B 3.07 ambi=1 { CB:37.3 } :: atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } atom: 624 59N-HB3 B 3.59 ambi=1 { CB:37.3 } ::sumAvg: 3.545 atom: 625 59N-HD21 D2 7.79 ambi=2 { ND2:110.7 } atom: 631 60K-H N 8.83 ambi=1 { N:123.1 } :: atom: 626 59N-HD22 D2 6.71 ambi=2 { ND2:110.7 } atom: 631 60K-H N 8.83 ambi=1 { N:123.1 } ::sumAvg: 4.41 atom: 631 60K-H N 8.83 ambi=1 { N:123.1 } atom: 625 59N-HD21 D2 7.79 ambi=2 { ND2:110.7 } :: atom: 631 60K-H N 8.83 ambi=1 { N:123.1 } atom: 626 59N-HD22 D2 6.71 ambi=2 { ND2:110.7 } ::sumAvg: 4.41 atom: 625 59N-HD21 D2 7.79 ambi=2 { ND2:110.7 } atom: 647 61E-H N 8.77 ambi=1 { N:115.4 } :: atom: 626 59N-HD22 D2 6.71 ambi=2 { ND2:110.7 } atom: 647 61E-H N 8.77 ambi=1 { N:115.4 } ::sumAvg: 3.905 atom: 657 62G-H N 7.82 ambi=1 { N:107.1 } atom: 626 59N-HD22 D2 6.71 ambi=2 { ND2:110.7 } ::sumAvg: 4.16 atom: 625 59N-HD21 D2 7.79 ambi=2 { ND2:110.7 } atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } :: atom: 626 59N-HD22 D2 6.71 ambi=2 { ND2:110.7 } atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } ::sumAvg: 3.375 atom: 625 59N-HD21 D2 7.79 ambi=2 { ND2:110.7 } atom: 664 63T-HB B 4.57 ambi=1 { CB:69.3 } :: atom: 626 59N-HD22 D2 6.71 ambi=2 { ND2:110.7 } atom: 664 63T-HB B 4.57 ambi=1 { CB:69.3 } ::sumAvg: 4.91 atom: 625 59N-HD21 D2 7.79 ambi=2 { ND2:110.7 } atom: 665 63T-HG2 G2 1.1 ambi=1 { CG2:23 } :: atom: 626 59N-HD22 D2 6.71 ambi=2 { ND2:110.7 } atom: 665 63T-HG2 G2 1.1 ambi=1 { CG2:23 } ::sumAvg: 4.55 atom: 631 60K-H N 8.83 ambi=1 { N:123.1 } atom: 637 60K-QD D 1.69 ambi=2 { CD:28.9 } ::sumAvg: 4.09 atom: 631 60K-H N 8.83 ambi=1 { N:123.1 } atom: 649 61E-HB2 B 2.1 ambi=2 { CB:29.6 } :: atom: 631 60K-H N 8.83 ambi=1 { N:123.1 } atom: 650 61E-HB3 B 2.23 ambi=2 { CB:29.6 } ::sumAvg: 4.825 atom: 631 60K-H N 8.83 ambi=1 { N:123.1 } atom: 651 61E-HG2 G 2.34 ambi=2 { CG:37.3 } :: atom: 631 60K-H N 8.83 ambi=1 { N:123.1 } atom: 652 61E-HG3 G 2.54 ambi=2 { CG:37.3 } ::sumAvg: 4.445 atom: 631 60K-H N 8.83 ambi=1 { N:123.1 } atom: 657 62G-H N 7.82 ambi=1 { N:107.1 } ::sumAvg: 3.935 atom: 657 62G-H N 7.82 ambi=1 { N:107.1 } atom: 631 60K-H N 8.83 ambi=1 { N:123.1 } ::sumAvg: 3.935 atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } atom: 648 61E-HA A 4.19 ambi=1 { CA:58 } ::sumAvg: 4.65 atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } ::sumAvg: 4.92 atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } atom: 672 64R-HB2 B 1.63 ambi=1 { CB:32.8 } :: atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } atom: 673 64R-HB3 B 1.73 ambi=1 { CB:32.8 } ::sumAvg: 4.68 atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } ::sumAvg: 4.98 atom: 688 65W-HE1 E1 9.32 ambi=1 { NE1:127 } atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } ::sumAvg: 4.595 atom: 670 64R-H N 7.61 ambi=1 { N:123.7 } atom: 684 65W-HA A 4.72 ambi=1 { CA:55.4 } ::sumAvg: 4.74 atom: 670 64R-H N 7.61 ambi=1 { N:123.7 } atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } ::sumAvg: 3.645 atom: 670 64R-H N 7.61 ambi=1 { N:123.7 } atom: 950 86I-HB B 2.04 ambi=1 { CB:36.4 } ::sumAvg: 4.955 atom: 924 84F-H N 8.46 ambi=1 { N:112.7 } atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } ::sumAvg: 4.845 atom: 924 84F-H N 8.46 ambi=1 { N:112.7 } atom: 674 64R-HG2 G 1.5 ambi=2 { CG:27.4 } :: atom: 924 84F-H N 8.46 ambi=1 { N:112.7 } atom: 675 64R-HG3 G 1.63 ambi=2 { CG:27.4 } ::sumAvg: 4.17 atom: 683 65W-H N 8.77 ambi=1 { N:125.1 } atom: 706 66F-QD D 6.87 ambi=3 { CD1:131.7 } ::sumAvg: 4.49 atom: 683 65W-H N 8.77 ambi=1 { N:125.1 } atom: 925 84F-HA A 4.95 ambi=1 { CA:57.4 } ::sumAvg: 4.895 atom: 683 65W-H N 8.77 ambi=1 { N:125.1 } atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } ::sumAvg: 4.375 atom: 683 65W-H N 8.77 ambi=1 { N:125.1 } atom: 951 86I-HG12 G1 1.78 ambi=2 { CG1:26.8 } :: atom: 683 65W-H N 8.77 ambi=1 { N:125.1 } atom: 952 86I-HG13 G1 2.13 ambi=2 { CG1:26.8 } ::sumAvg: 4.255 atom: 924 84F-H N 8.46 ambi=1 { N:112.7 } atom: 684 65W-HA A 4.72 ambi=1 { CA:55.4 } ::sumAvg: 4.745 atom: 688 65W-HE1 E1 9.32 ambi=1 { NE1:127 } atom: 692 65W-HH2 H2 6.46 ambi=1 { CH2:123.7 } ::sumAvg: 4.98 atom: 719 67G-H N 8.54 ambi=1 { N:107.1 } atom: 918 83E-QG G 2.13 ambi=2 { CG:35.4 } ::sumAvg: 4.28 atom: 901 82I-H N 8.46 ambi=1 { N:113.7 } atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } :: atom: 901 82I-H N 8.46 ambi=1 { N:113.7 } atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } ::sumAvg: 4.75 atom: 724 68K-H N 8.54 ambi=1 { N:121.3 } atom: 732 68K-QE E 2.95 ambi=2 { CE:42.2 } ::sumAvg: 4.96 atom: 724 68K-H N 8.54 ambi=1 { N:121.3 } atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } ::sumAvg: 4.33 atom: 724 68K-H N 8.54 ambi=1 { N:121.3 } atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } ::sumAvg: 4.83 atom: 724 68K-H N 8.54 ambi=1 { N:121.3 } atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } ::sumAvg: 4.2 atom: 724 68K-H N 8.54 ambi=1 { N:121.3 } atom: 904 82I-HG12 G1 0.84 ambi=2 { CG1:25.7 } :: atom: 724 68K-H N 8.54 ambi=1 { N:121.3 } atom: 905 82I-HG13 G1 1.29 ambi=2 { CG1:25.7 } ::sumAvg: 3.99 atom: 724 68K-H N 8.54 ambi=1 { N:121.3 } atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } ::sumAvg: 4.23 atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } atom: 725 68K-HA A 5.61 ambi=1 { CA:53.9 } ::sumAvg: 4.4 atom: 894 81D-H N 8.46 ambi=1 { N:122.9 } atom: 725 68K-HA A 5.61 ambi=1 { CA:53.9 } ::sumAvg: 4.995 atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } atom: 726 68K-HB2 B 1.44 ambi=1 { CB:38.2 } :: atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } atom: 727 68K-HB3 B 1.49 ambi=1 { CB:38.2 } ::sumAvg: 4.67 atom: 901 82I-H N 8.46 ambi=1 { N:113.7 } atom: 727 68K-HB3 B 1.49 ambi=1 { CB:38.2 } ::sumAvg: 4.985 atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } atom: 728 68K-HG2 G 1.43 ambi=2 { CG:24.8 } :: atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } atom: 729 68K-HG3 G 1.57 ambi=2 { CG:24.8 } ::sumAvg: 4.495 atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } ::sumAvg: 4.83 atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } ::sumAvg: 4.22 atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } ::sumAvg: 4.75 atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } ::sumAvg: 4.815 atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } ::sumAvg: 4.77 atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } atom: 878 80F-HA A 5.09 ambi=1 { CA:56 } ::sumAvg: 4.795 atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } ::sumAvg: 4.585 atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } atom: 901 82I-H N 8.46 ambi=1 { N:113.7 } ::sumAvg: 4.335 atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } atom: 904 82I-HG12 G1 0.84 ambi=2 { CG1:25.7 } :: atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } atom: 905 82I-HG13 G1 1.29 ambi=2 { CG1:25.7 } ::sumAvg: 3.865 atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } ::sumAvg: 4.73 atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } :: atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } ::sumAvg: 4.395 atom: 747 70W-H N 9.24 ambi=1 { N:117.5 } atom: 767 71Y-HA A 4.84 ambi=1 { CA:57.7 } ::sumAvg: 4.9 atom: 747 70W-H N 9.24 ambi=1 { N:117.5 } atom: 768 71Y-QB B 3.01 ambi=2 { CB:44 } ::sumAvg: 4.52 atom: 747 70W-H N 9.24 ambi=1 { N:117.5 } atom: 751 70W-HD1 D1 7.03 ambi=1 { CD1:125.9 } ::sumAvg: 4.635 atom: 747 70W-H N 9.24 ambi=1 { N:117.5 } atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } ::sumAvg: 4.84 atom: 852 78Y-H N 9.53 ambi=1 { N:129.3 } atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } ::sumAvg: 4.805 atom: 867 79E-H N 8.12 ambi=1 { N:122.6 } atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } ::sumAvg: 4.92 atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } atom: 750 70W-HB3 B 3.29 ambi=1 { CB:32.6 } ::sumAvg: 4.705 atom: 852 78Y-H N 9.53 ambi=1 { N:129.3 } atom: 751 70W-HD1 D1 7.03 ambi=1 { CD1:125.9 } ::sumAvg: 4.92 atom: 752 70W-HE1 E1 10.66 ambi=1 { NE1:131.3 } atom: 756 70W-HH2 H2 6.84 ambi=1 { CH2:123.5 } ::sumAvg: 4.975 atom: 752 70W-HE1 E1 10.66 ambi=1 { NE1:131.3 } atom: 840 77K-QG G 1.18 ambi=2 { CG:25.6 } ::sumAvg: 4.795 atom: 752 70W-HE1 E1 10.66 ambi=1 { NE1:131.3 } atom: 844 77K-HE2 E 2.27 ambi=2 { CE:41.3 } :: atom: 752 70W-HE1 E1 10.66 ambi=1 { NE1:131.3 } atom: 845 77K-HE3 E 2.37 ambi=2 { CE:41.3 } ::sumAvg: 3.865 atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } ::sumAvg: 4.955 atom: 766 71Y-H N 9.23 ambi=1 { N:121.1 } atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } ::sumAvg: 4.635 atom: 766 71Y-H N 9.23 ambi=1 { N:121.1 } atom: 787 72I-HD1 D1 0.82 ambi=1 { CD1:12.7 } ::sumAvg: 4.815 atom: 766 71Y-H N 9.23 ambi=1 { N:121.1 } atom: 837 77K-HA A 4.75 ambi=1 { CA:56.1 } ::sumAvg: 4.62 atom: 794 73H-H N 9.14 ambi=1 { N:126.2 } atom: 770 71Y-QD D 6.96 ambi=3 { CD1:131.9 } ::sumAvg: 4.485 atom: 781 72I-H N 8.07 ambi=1 { N:128.9 } atom: 772 71Y-QE E 6.69 ambi=3 { CE1:117.3 } ::sumAvg: 4.85 atom: 823 76L-H N 7.9 ambi=1 { N:121.8 } atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } ::sumAvg: 4.355 atom: 836 77K-H N 8.45 ambi=1 { N:121.7 } atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } ::sumAvg: 4.85 atom: 836 77K-H N 8.45 ambi=1 { N:121.7 } atom: 787 72I-HD1 D1 0.82 ambi=1 { CD1:12.7 } ::sumAvg: 4.75 atom: 803 74D-H N 9.03 ambi=1 { N:131.6 } atom: 786 72I-HG2 G2 0.64 ambi=1 { CG2:17.1 } ::sumAvg: 3.94 atom: 852 78Y-H N 9.53 ambi=1 { N:129.3 } atom: 786 72I-HG2 G2 0.64 ambi=1 { CG2:17.1 } ::sumAvg: 4.91 atom: 794 73H-H N 9.14 ambi=1 { N:126.2 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } ::sumAvg: 4.33 atom: 810 75L-H N 8.23 ambi=1 { N:108 } atom: 795 73H-HA A 4.82 ambi=1 { CA:55.6 } ::sumAvg: 4.56 atom: 823 76L-H N 7.9 ambi=1 { N:121.8 } atom: 795 73H-HA A 4.82 ambi=1 { CA:55.6 } ::sumAvg: 4.54 atom: 823 76L-H N 7.9 ambi=1 { N:121.8 } atom: 797 73H-HB3 B 3.25 ambi=1 { CB:34.3 } ::sumAvg: 4.47 atom: 803 74D-H N 9.03 ambi=1 { N:131.6 } atom: 798 73H-HD2 D2 7.19 ambi=1 { CD2:119.9 } ::sumAvg: 4.705 atom: 803 74D-H N 9.03 ambi=1 { N:131.6 } atom: 823 76L-H N 7.9 ambi=1 { N:121.8 } ::sumAvg: 4.36 atom: 823 76L-H N 7.9 ambi=1 { N:121.8 } atom: 803 74D-H N 9.03 ambi=1 { N:131.6 } ::sumAvg: 4.36 atom: 823 76L-H N 7.9 ambi=1 { N:121.8 } atom: 804 74D-HA A 4.02 ambi=1 { CA:55.4 } ::sumAvg: 4.455 atom: 810 75L-H N 8.23 ambi=1 { N:108 } atom: 824 76L-HA A 4.47 ambi=1 { CA:53.6 } ::sumAvg: 4.93 atom: 810 75L-H N 8.23 ambi=1 { N:108 } atom: 825 76L-HB2 B 0.6 ambi=1 { CB:43.1 } ::sumAvg: 4.43 atom: 823 76L-H N 7.9 ambi=1 { N:121.8 } atom: 837 77K-HA A 4.75 ambi=1 { CA:56.1 } ::sumAvg: 4.9 atom: 852 78Y-H N 9.53 ambi=1 { N:129.3 } atom: 826 76L-HB3 B 1.93 ambi=1 { CB:43.1 } ::sumAvg: 4.94 atom: 1745 161H-H N 8.65 ambi=1 { N:122.1 } atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } :: atom: 1745 161H-H N 8.65 ambi=1 { N:122.1 } atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } ::sumAvg: 4.71 atom: 1754 162K-H N 8.48 ambi=1 { N:123.6 } atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } :: atom: 1754 162K-H N 8.48 ambi=1 { N:123.6 } atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } ::sumAvg: 3.965 atom: 1770 163E-H N 8.55 ambi=1 { N:119.4 } atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } :: atom: 1770 163E-H N 8.55 ambi=1 { N:119.4 } atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } ::sumAvg: 4.295 atom: 836 77K-H N 8.45 ambi=1 { N:121.7 } atom: 852 78Y-H N 9.53 ambi=1 { N:129.3 } ::sumAvg: 4.28 atom: 852 78Y-H N 9.53 ambi=1 { N:129.3 } atom: 836 77K-H N 8.45 ambi=1 { N:121.7 } ::sumAvg: 4.28 atom: 836 77K-H N 8.45 ambi=1 { N:121.7 } atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } ::sumAvg: 4.395 atom: 867 79E-H N 8.12 ambi=1 { N:122.6 } atom: 840 77K-QG G 1.18 ambi=2 { CG:25.6 } ::sumAvg: 4.59 atom: 852 78Y-H N 9.53 ambi=1 { N:129.3 } atom: 858 78Y-QE E 6.77 ambi=3 { CE1:117.5 } ::sumAvg: 4.73 atom: 852 78Y-H N 9.53 ambi=1 { N:129.3 } atom: 867 79E-H N 8.12 ambi=1 { N:122.6 } ::sumAvg: 4.395 atom: 852 78Y-H N 9.53 ambi=1 { N:129.3 } atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } ::sumAvg: 4.9 atom: 867 79E-H N 8.12 ambi=1 { N:122.6 } atom: 878 80F-HA A 5.09 ambi=1 { CA:56 } ::sumAvg: 4.94 atom: 867 79E-H N 8.12 ambi=1 { N:122.6 } atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } ::sumAvg: 4.93 atom: 867 79E-H N 8.12 ambi=1 { N:122.6 } atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } ::sumAvg: 4.985 atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } atom: 895 81D-HA A 5.42 ambi=1 { CA:54.7 } ::sumAvg: 4.835 atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } ::sumAvg: 4.55 atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } atom: 879 80F-HB2 B 2.71 ambi=2 { CB:42.6 } :: atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } atom: 880 80F-HB3 B 3.07 ambi=2 { CB:42.6 } ::sumAvg: 4.72 atom: 1112 102L-H N 7.93 ambi=1 { N:116.5 } atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } ::sumAvg: 4.41 atom: 894 81D-H N 8.46 ambi=1 { N:122.9 } atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } ::sumAvg: 4.01 atom: 894 81D-H N 8.46 ambi=1 { N:122.9 } atom: 1096 100P-HD2 D 3.48 ambi=2 { CD:49.8 } :: atom: 894 81D-H N 8.46 ambi=1 { N:122.9 } atom: 1097 100P-HD3 D 3.77 ambi=2 { CD:49.8 } ::sumAvg: 4.985 atom: 894 81D-H N 8.46 ambi=1 { N:122.9 } atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } ::sumAvg: 4.38 atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } atom: 894 81D-H N 8.46 ambi=1 { N:122.9 } ::sumAvg: 4.38 atom: 894 81D-H N 8.46 ambi=1 { N:122.9 } atom: 1103 101E-HA A 4.3 ambi=1 { CA:58.3 } ::sumAvg: 4.88 atom: 894 81D-H N 8.46 ambi=1 { N:122.9 } atom: 1104 101E-HB2 B 2.17 ambi=1 { CB:30.2 } :: atom: 894 81D-H N 8.46 ambi=1 { N:122.9 } atom: 1105 101E-HB3 B 2.39 ambi=1 { CB:30.2 } ::sumAvg: 2.925 atom: 894 81D-H N 8.46 ambi=1 { N:122.9 } atom: 1106 101E-QG G 2.43 ambi=2 { CG:36.8 } ::sumAvg: 2.695 atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } atom: 896 81D-HB2 B 2.72 ambi=2 { CB:41.3 } :: atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } ::sumAvg: 4.125 atom: 901 82I-H N 8.46 ambi=1 { N:113.7 } atom: 918 83E-QG G 2.13 ambi=2 { CG:35.4 } ::sumAvg: 4.845 atom: 901 82I-H N 8.46 ambi=1 { N:113.7 } atom: 1096 100P-HD2 D 3.48 ambi=2 { CD:49.8 } :: atom: 901 82I-H N 8.46 ambi=1 { N:113.7 } atom: 1097 100P-HD3 D 3.77 ambi=2 { CD:49.8 } ::sumAvg: 4.89 atom: 1081 99V-H N 8.02 ambi=1 { N:119.5 } atom: 902 82I-HA A 5.66 ambi=1 { CA:58.5 } ::sumAvg: 4.38 atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } atom: 902 82I-HA A 5.66 ambi=1 { CA:58.5 } ::sumAvg: 4.8 atom: 1075 98A-H N 8.88 ambi=1 { N:128.8 } atom: 903 82I-HB B 1.75 ambi=1 { CB:42.8 } ::sumAvg: 4.55 atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } ::sumAvg: 4.835 atom: 924 84F-H N 8.46 ambi=1 { N:112.7 } atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } ::sumAvg: 4.885 atom: 914 83E-H N 8.61 ambi=1 { N:117.4 } atom: 925 84F-HA A 4.95 ambi=1 { CA:57.4 } ::sumAvg: 4.825 atom: 914 83E-H N 8.61 ambi=1 { N:117.4 } atom: 1081 99V-H N 8.02 ambi=1 { N:119.5 } ::sumAvg: 3.95 atom: 924 84F-H N 8.46 ambi=1 { N:112.7 } atom: 1075 98A-H N 8.88 ambi=1 { N:128.8 } ::sumAvg: 4.89 atom: 1075 98A-H N 8.88 ambi=1 { N:128.8 } atom: 924 84F-H N 8.46 ambi=1 { N:112.7 } ::sumAvg: 4.89 atom: 1052 96E-H N 8.6 ambi=1 { N:119.5 } atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } ::sumAvg: 4.905 atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } ::sumAvg: 4.725 atom: 941 85D-H N 8.57 ambi=1 { N:118.3 } atom: 949 86I-HA A 4.37 ambi=1 { CA:55.2 } ::sumAvg: 4.945 atom: 941 85D-H N 8.57 ambi=1 { N:118.3 } atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } ::sumAvg: 4.365 atom: 941 85D-H N 8.57 ambi=1 { N:118.3 } atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } ::sumAvg: 4.23 atom: 941 85D-H N 8.57 ambi=1 { N:118.3 } atom: 1042 95P-HB2 B 0.87 ambi=2 { CB:31.9 } :: atom: 941 85D-H N 8.57 ambi=1 { N:118.3 } atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } ::sumAvg: 3.865 atom: 972 88I-H N 8.69 ambi=1 { N:118.2 } atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } ::sumAvg: 4.98 atom: 1052 96E-H N 8.6 ambi=1 { N:119.5 } atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } ::sumAvg: 3.845 atom: 972 88I-H N 8.69 ambi=1 { N:118.2 } atom: 993 90Y-H N 7.67 ambi=1 { N:128 } ::sumAvg: 4.17 atom: 993 90Y-H N 7.67 ambi=1 { N:128 } atom: 972 88I-H N 8.69 ambi=1 { N:118.2 } ::sumAvg: 4.17 atom: 993 90Y-H N 7.67 ambi=1 { N:128 } atom: 977 88I-HG2 G2 0.98 ambi=1 { CG2:18.1 } ::sumAvg: 4.84 atom: 985 89T-H N 7.01 ambi=1 { N:103.6 } atom: 1029 93T-HB B 3.67 ambi=1 { CB:69.9 } ::sumAvg: 4.565 atom: 1019 92T-H N 8.2 ambi=1 { N:122.2 } atom: 987 89T-HB B 4.67 ambi=1 { CB:67.7 } ::sumAvg: 4.375 atom: 1027 93T-H N 7.25 ambi=1 { N:114.3 } atom: 988 89T-HG2 G2 1.17 ambi=1 { CG2:22 } ::sumAvg: 4.465 atom: 993 90Y-H N 7.67 ambi=1 { N:128 } atom: 1008 91P-HA A 3.55 ambi=1 { CA:62.8 } ::sumAvg: 4.695 atom: 993 90Y-H N 7.67 ambi=1 { N:128 } atom: 1019 92T-H N 8.2 ambi=1 { N:122.2 } ::sumAvg: 4.375 atom: 1019 92T-H N 8.2 ambi=1 { N:122.2 } atom: 993 90Y-H N 7.67 ambi=1 { N:128 } ::sumAvg: 4.375 atom: 993 90Y-H N 7.67 ambi=1 { N:128 } atom: 1027 93T-H N 7.25 ambi=1 { N:114.3 } ::sumAvg: 3.895 atom: 1027 93T-H N 7.25 ambi=1 { N:114.3 } atom: 993 90Y-H N 7.67 ambi=1 { N:128 } ::sumAvg: 3.895 atom: 993 90Y-H N 7.67 ambi=1 { N:128 } atom: 1029 93T-HB B 3.67 ambi=1 { CB:69.9 } ::sumAvg: 4.385 atom: 1019 92T-H N 8.2 ambi=1 { N:122.2 } atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } ::sumAvg: 2.72 atom: 1352 125W-HE1 E1 9.6 ambi=1 { NE1:130.6 } atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } ::sumAvg: 4.615 atom: 1019 92T-H N 8.2 ambi=1 { N:122.2 } atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } :: atom: 1019 92T-H N 8.2 ambi=1 { N:122.2 } atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } ::sumAvg: 4.995 atom: 1352 125W-HE1 E1 9.6 ambi=1 { NE1:130.6 } atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } ::sumAvg: 4.995 atom: 1454 134L-H N 10.28 ambi=1 { N:125 } atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } ::sumAvg: 4.75 atom: 1019 92T-H N 8.2 ambi=1 { N:122.2 } atom: 1352 125W-HE1 E1 9.6 ambi=1 { NE1:130.6 } ::sumAvg: 4.66 atom: 1352 125W-HE1 E1 9.6 ambi=1 { NE1:130.6 } atom: 1019 92T-H N 8.2 ambi=1 { N:122.2 } ::sumAvg: 4.66 atom: 1019 92T-H N 8.2 ambi=1 { N:122.2 } atom: 1398 129V-HG1 G1 0.66 ambi=2 { CG1:20.4 } :: atom: 1019 92T-H N 8.2 ambi=1 { N:122.2 } atom: 1399 129V-HG2 G2 1.08 ambi=2 { CG2:22.9 } ::sumAvg: 4.56 atom: 1027 93T-H N 7.25 ambi=1 { N:114.3 } atom: 1036 94A-HA A 3.87 ambi=1 { CA:49.7 } ::sumAvg: 4.885 atom: 1035 94A-H N 7.94 ambi=1 { N:126.2 } atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } ::sumAvg: 4.95 atom: 1035 94A-H N 7.94 ambi=1 { N:126.2 } atom: 1350 125W-HB3 B 3.07 ambi=1 { CB:27.6 } ::sumAvg: 4.905 atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } atom: 1042 95P-HB2 B 0.87 ambi=2 { CB:31.9 } :: atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } ::sumAvg: 4.435 atom: 1231 115I-H N 7.91 ambi=1 { N:117.1 } atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } ::sumAvg: 4.91 atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } ::sumAvg: 4.57 atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } atom: 1231 115I-H N 7.91 ambi=1 { N:117.1 } ::sumAvg: 4.2 atom: 1231 115I-H N 7.91 ambi=1 { N:117.1 } atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } ::sumAvg: 4.2 atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } ::sumAvg: 4.88 atom: 1081 99V-H N 8.02 ambi=1 { N:119.5 } atom: 1067 97I-HG2 G2 0.67 ambi=1 { CG2:17.5 } ::sumAvg: 3.58 atom: 1075 98A-H N 8.88 ambi=1 { N:128.8 } atom: 1081 99V-H N 8.02 ambi=1 { N:119.5 } ::sumAvg: 3.365 atom: 1081 99V-H N 8.02 ambi=1 { N:119.5 } atom: 1075 98A-H N 8.88 ambi=1 { N:128.8 } ::sumAvg: 3.365 atom: 1075 98A-H N 8.88 ambi=1 { N:128.8 } atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } :: atom: 1075 98A-H N 8.88 ambi=1 { N:128.8 } atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } ::sumAvg: 4.455 atom: 1075 98A-H N 8.88 ambi=1 { N:128.8 } atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } ::sumAvg: 4.77 atom: 1231 115I-H N 7.91 ambi=1 { N:117.1 } atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } ::sumAvg: 4.285 atom: 1081 99V-H N 8.02 ambi=1 { N:119.5 } atom: 1091 100P-HA A 4.13 ambi=1 { CA:66.4 } ::sumAvg: 4.9 atom: 1081 99V-H N 8.02 ambi=1 { N:119.5 } atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } ::sumAvg: 4.735 atom: 1081 99V-H N 8.02 ambi=1 { N:119.5 } atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } ::sumAvg: 4.47 atom: 1081 99V-H N 8.02 ambi=1 { N:119.5 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } ::sumAvg: 4.475 atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } ::sumAvg: 3.495 atom: 1112 102L-H N 7.93 ambi=1 { N:116.5 } atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } ::sumAvg: 4.415 atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } ::sumAvg: 4.63 atom: 1112 102L-H N 7.93 ambi=1 { N:116.5 } atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } ::sumAvg: 3.98 atom: 1112 102L-H N 7.93 ambi=1 { N:116.5 } atom: 1091 100P-HA A 4.13 ambi=1 { CA:66.4 } ::sumAvg: 4.1 atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } ::sumAvg: 4.55 atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } atom: 1116 102L-HG G 1.35 ambi=1 { CG:26.9 } ::sumAvg: 4.435 atom: 1112 102L-H N 7.93 ambi=1 { N:116.5 } atom: 1126 103D-HA A 4.44 ambi=1 { CA:56.4 } ::sumAvg: 4.57 atom: 1112 102L-H N 7.93 ambi=1 { N:116.5 } atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } ::sumAvg: 4.2 atom: 1132 104G-H N 8.62 ambi=1 { N:115 } atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } ::sumAvg: 4.32 atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } ::sumAvg: 4.36 atom: 1132 104G-H N 8.62 ambi=1 { N:115 } atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } ::sumAvg: 4.12 atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } ::sumAvg: 3.86 atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } atom: 1117 102L-HD1 D1 0.5 ambi=2 { CD1:25.1 } :: atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } atom: 1118 102L-HD2 D2 0.68 ambi=2 { CD2:22.5 } ::sumAvg: 4.64 atom: 1125 103D-H N 7.36 ambi=1 { N:119.9 } atom: 1139 105K-HB2 B 1.76 ambi=2 { CB:33.3 } :: atom: 1125 103D-H N 7.36 ambi=1 { N:119.9 } atom: 1140 105K-HB3 B 1.82 ambi=2 { CB:33.3 } ::sumAvg: 4.89 atom: 1125 103D-H N 7.36 ambi=1 { N:119.9 } atom: 1145 105K-QE E 3.12 ambi=2 { CE:42.5 } ::sumAvg: 4.795 atom: 1132 104G-H N 8.62 ambi=1 { N:115 } atom: 1139 105K-HB2 B 1.76 ambi=2 { CB:33.3 } :: atom: 1132 104G-H N 8.62 ambi=1 { N:115 } atom: 1140 105K-HB3 B 1.82 ambi=2 { CB:33.3 } ::sumAvg: 4.325 atom: 1132 104G-H N 8.62 ambi=1 { N:115 } atom: 1141 105K-HG2 G 1.3 ambi=2 { CG:25.6 } :: atom: 1132 104G-H N 8.62 ambi=1 { N:115 } atom: 1142 105K-HG3 G 1.36 ambi=2 { CG:25.6 } ::sumAvg: 4.355 atom: 1132 104G-H N 8.62 ambi=1 { N:115 } atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } ::sumAvg: 3.575 atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } atom: 1132 104G-H N 8.62 ambi=1 { N:115 } ::sumAvg: 3.575 atom: 1132 104G-H N 8.62 ambi=1 { N:115 } atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } ::sumAvg: 4.57 atom: 1132 104G-H N 8.62 ambi=1 { N:115 } atom: 1174 109M-HG2 G 2.3 ambi=2 { CG:36 } :: atom: 1132 104G-H N 8.62 ambi=1 { N:115 } atom: 1175 109M-HG3 G 2.4 ambi=2 { CG:36 } ::sumAvg: 4.49 atom: 1137 105K-H N 8.33 ambi=1 { N:117.5 } atom: 1154 106T-HA A 4.63 ambi=1 { CA:58.4 } ::sumAvg: 4.735 atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } atom: 1143 105K-QD D 1.6 ambi=2 { CD:29.1 } ::sumAvg: 4.76 atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } atom: 1162 107A-HA A 4.47 ambi=1 { CA:52.6 } ::sumAvg: 4.935 atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } atom: 1163 107A-HB B 1.43 ambi=1 { CB:18.9 } ::sumAvg: 4.85 atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } atom: 1174 109M-HG2 G 2.3 ambi=2 { CG:36 } :: atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } atom: 1175 109M-HG3 G 2.4 ambi=2 { CG:36 } ::sumAvg: 4.74 atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } ::sumAvg: 4.52 atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } :: atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } ::sumAvg: 4.46 atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } ::sumAvg: 4.235 atom: 1167 108K-H N 8.32 ambi=1 { N:119.1 } atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } ::sumAvg: 4.295 atom: 1161 107A-H N 8.73 ambi=1 { N:128.2 } atom: 1167 108K-H N 8.32 ambi=1 { N:119.1 } ::sumAvg: 3.355 atom: 1167 108K-H N 8.32 ambi=1 { N:119.1 } atom: 1161 107A-H N 8.73 ambi=1 { N:128.2 } ::sumAvg: 3.355 atom: 1161 107A-H N 8.73 ambi=1 { N:128.2 } atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } ::sumAvg: 4.885 atom: 1161 107A-H N 8.73 ambi=1 { N:128.2 } atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } :: atom: 1161 107A-H N 8.73 ambi=1 { N:128.2 } atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } ::sumAvg: 3.605 atom: 1161 107A-H N 8.73 ambi=1 { N:128.2 } atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } ::sumAvg: 4.86 atom: 1167 108K-H N 8.32 ambi=1 { N:119.1 } atom: 1162 107A-HA A 4.47 ambi=1 { CA:52.6 } ::sumAvg: 2.9 atom: 1167 108K-H N 8.32 ambi=1 { N:119.1 } atom: 1163 107A-HB B 1.43 ambi=1 { CB:18.9 } ::sumAvg: 2.705 atom: 1167 108K-H N 8.32 ambi=1 { N:119.1 } atom: 1168 108K-HA A 4 ambi=1 { CA:56.2 } ::sumAvg: 2.61 atom: 1167 108K-H N 8.32 ambi=1 { N:119.1 } atom: 1169 108K-QB B 2 ambi=2 { CB:29 } ::sumAvg: 2.795 atom: 1167 108K-H N 8.32 ambi=1 { N:119.1 } atom: 1174 109M-HG2 G 2.3 ambi=2 { CG:36 } :: atom: 1167 108K-H N 8.32 ambi=1 { N:119.1 } atom: 1175 109M-HG3 G 2.4 ambi=2 { CG:36 } ::sumAvg: 4.965 atom: 1215 114K-H N 7 ambi=1 { N:118.4 } atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } ::sumAvg: 4.45 atom: 1231 115I-H N 7.91 ambi=1 { N:117.1 } atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } ::sumAvg: 4.695 atom: 1244 116C-H N 7.71 ambi=1 { N:121.7 } atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } ::sumAvg: 4.125 atom: 1205 112G-H N 8.98 ambi=1 { N:113.5 } atom: 1180 110Y-HB2 B 2.84 ambi=2 { CB:39.5 } :: atom: 1205 112G-H N 8.98 ambi=1 { N:113.5 } atom: 1181 110Y-HB3 B 3.08 ambi=2 { CB:39.5 } ::sumAvg: 4.8 atom: 1244 116C-H N 7.71 ambi=1 { N:121.7 } atom: 1182 110Y-QD D 7 ambi=3 { CD1:132.5 } ::sumAvg: 4.955 atom: 1251 117L-H N 8.42 ambi=1 { N:126.2 } atom: 1184 110Y-QE E 6.74 ambi=3 { CE1:117.4 } ::sumAvg: 4.8 atom: 1205 112G-H N 8.98 ambi=1 { N:113.5 } atom: 1198 111R-QD D 3.21 ambi=2 { CD:42.9 } ::sumAvg: 4.805 atom: 1205 112G-H N 8.98 ambi=1 { N:113.5 } atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } ::sumAvg: 4.485 atom: 1205 112G-H N 8.98 ambi=1 { N:113.5 } atom: 1215 114K-H N 7 ambi=1 { N:118.4 } ::sumAvg: 4.915 atom: 1215 114K-H N 7 ambi=1 { N:118.4 } atom: 1205 112G-H N 8.98 ambi=1 { N:113.5 } ::sumAvg: 4.915 atom: 1210 113G-H N 8.15 ambi=1 { N:107.3 } atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } ::sumAvg: 4.855 atom: 1210 113G-H N 8.15 ambi=1 { N:107.3 } atom: 1217 114K-HB2 B 1.25 ambi=2 { CB:32.9 } :: atom: 1210 113G-H N 8.15 ambi=1 { N:107.3 } atom: 1218 114K-HB3 B 1.47 ambi=2 { CB:32.9 } ::sumAvg: 4.705 atom: 1210 113G-H N 8.15 ambi=1 { N:107.3 } atom: 1219 114K-HG2 G 1.04 ambi=2 { CG:25.6 } :: atom: 1210 113G-H N 8.15 ambi=1 { N:107.3 } atom: 1220 114K-HG3 G 1.23 ambi=2 { CG:25.6 } ::sumAvg: 4.425 atom: 1215 114K-H N 7 ambi=1 { N:118.4 } atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } ::sumAvg: 4.99 atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } ::sumAvg: 4.71 atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } atom: 1233 115I-HB B 0.37 ambi=1 { CB:37.5 } ::sumAvg: 4.68 atom: 1244 116C-H N 7.71 ambi=1 { N:121.7 } atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } :: atom: 1244 116C-H N 7.71 ambi=1 { N:121.7 } atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } ::sumAvg: 3.885 atom: 1251 117L-H N 8.42 ambi=1 { N:126.2 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } ::sumAvg: 4.995 atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } ::sumAvg: 4.415 atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } ::sumAvg: 4.39 atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } ::sumAvg: 4.845 atom: 1251 117L-H N 8.42 ambi=1 { N:126.2 } atom: 1244 116C-H N 7.71 ambi=1 { N:121.7 } ::sumAvg: 4.165 atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } atom: 1244 116C-H N 7.71 ambi=1 { N:121.7 } ::sumAvg: 3.085 atom: 1244 116C-H N 7.71 ambi=1 { N:121.7 } atom: 1567 145W-HZ2 Z2 7.16 ambi=1 { CZ2:113.9 } ::sumAvg: 3.9 atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } atom: 1246 116C-HB2 B 2.23 ambi=2 { CB:27 } :: atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } atom: 1247 116C-HB3 B 2.78 ambi=2 { CB:27 } ::sumAvg: 4.04 atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } atom: 1252 117L-HA A 4.45 ambi=1 { CA:54.2 } ::sumAvg: 4.49 atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } :: atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } ::sumAvg: 4.62 atom: 1264 118T-H N 8.22 ambi=1 { N:111.5 } atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } :: atom: 1264 118T-H N 8.22 ambi=1 { N:111.5 } atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } ::sumAvg: 3.1 atom: 1264 118T-H N 8.22 ambi=1 { N:111.5 } atom: 1294 121F-QD D 7.05 ambi=3 { CD1:131.7 } ::sumAvg: 4.31 atom: 1264 118T-H N 8.22 ambi=1 { N:111.5 } atom: 1564 145W-HD1 D1 7.36 ambi=1 { CD1:127 } ::sumAvg: 4.4 atom: 1279 120H-H N 7.93 ambi=1 { N:114.8 } atom: 1265 118T-HA A 4.28 ambi=1 { CA:62.4 } ::sumAvg: 3.96 atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } atom: 1265 118T-HA A 4.28 ambi=1 { CA:62.4 } ::sumAvg: 4.65 atom: 1279 120H-H N 7.93 ambi=1 { N:114.8 } atom: 1267 118T-HG2 G2 1.41 ambi=1 { CG2:21.7 } ::sumAvg: 2.99 atom: 1279 120H-H N 7.93 ambi=1 { N:114.8 } atom: 1272 119D-H N 8.77 ambi=1 { N:122 } ::sumAvg: 2.585 atom: 1307 122K-H N 8.59 ambi=1 { N:118.4 } atom: 1273 119D-HA A 4.38 ambi=1 { CA:56.8 } ::sumAvg: 4.325 atom: 1279 120H-H N 7.93 ambi=1 { N:114.8 } atom: 1274 119D-HB2 B 2.61 ambi=2 { CB:40.2 } :: atom: 1279 120H-H N 7.93 ambi=1 { N:114.8 } atom: 1275 119D-HB3 B 2.68 ambi=2 { CB:40.2 } ::sumAvg: 3.635 atom: 1279 120H-H N 7.93 ambi=1 { N:114.8 } atom: 1283 120H-HD2 D2 7.06 ambi=1 { CD2:120.2 } ::sumAvg: 4.165 atom: 1279 120H-H N 7.93 ambi=1 { N:114.8 } atom: 1291 121F-HA A 4.07 ambi=1 { CA:62.4 } ::sumAvg: 4.675 atom: 1279 120H-H N 7.93 ambi=1 { N:114.8 } atom: 1307 122K-H N 8.59 ambi=1 { N:118.4 } ::sumAvg: 4.17 atom: 1279 120H-H N 7.93 ambi=1 { N:114.8 } atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } :: atom: 1279 120H-H N 7.93 ambi=1 { N:114.8 } atom: 1329 123P-HD3 D 3.77 ambi=2 { CD:50.3 } ::sumAvg: 4.24 atom: 1307 122K-H N 8.59 ambi=1 { N:118.4 } atom: 1280 120H-HA A 4.57 ambi=1 { CA:57.1 } ::sumAvg: 4.095 atom: 1334 124L-H N 6.93 ambi=1 { N:119.9 } atom: 1281 120H-QB B 3.23 ambi=2 { CB:30.4 } ::sumAvg: 4.85 atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } atom: 1309 122K-HB2 B 1.96 ambi=1 { CB:29.7 } ::sumAvg: 4.895 atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } atom: 1326 123P-HG2 G 1.99 ambi=2 { CG:27.9 } :: atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } atom: 1327 123P-HG3 G 2.12 ambi=2 { CG:27.9 } ::sumAvg: 4.93 atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } :: atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } atom: 1329 123P-HD3 D 3.77 ambi=2 { CD:50.3 } ::sumAvg: 3.505 atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } atom: 1334 124L-H N 6.93 ambi=1 { N:119.9 } ::sumAvg: 4.81 atom: 1334 124L-H N 6.93 ambi=1 { N:119.9 } atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } ::sumAvg: 4.81 atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } :: atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } atom: 1337 124L-HB3 B 1.92 ambi=2 { CB:41.9 } ::sumAvg: 4.725 atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } atom: 1339 124L-HD1 D1 0.93 ambi=2 { CD1:23.5 } :: atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } atom: 1340 124L-HD2 D2 1.04 ambi=2 { CD2:26.2 } ::sumAvg: 4.93 atom: 1347 125W-H N 8.49 ambi=1 { N:120.6 } atom: 1294 121F-QD D 7.05 ambi=3 { CD1:131.7 } ::sumAvg: 4.69 atom: 1334 124L-H N 6.93 ambi=1 { N:119.9 } atom: 1310 122K-HB3 B 2.04 ambi=1 { CB:29.7 } ::sumAvg: 4.98 atom: 1372 127R-H N 7.5 ambi=1 { N:113.5 } atom: 1323 123P-HA A 4.38 ambi=1 { CA:65.5 } ::sumAvg: 4.485 atom: 1347 125W-H N 8.49 ambi=1 { N:120.6 } atom: 1326 123P-HG2 G 1.99 ambi=2 { CG:27.9 } :: atom: 1347 125W-H N 8.49 ambi=1 { N:120.6 } atom: 1327 123P-HG3 G 2.12 ambi=2 { CG:27.9 } ::sumAvg: 4.99 atom: 1347 125W-H N 8.49 ambi=1 { N:120.6 } atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } :: atom: 1347 125W-H N 8.49 ambi=1 { N:120.6 } atom: 1329 123P-HD3 D 3.77 ambi=2 { CD:50.3 } ::sumAvg: 4.62 atom: 1372 127R-H N 7.5 ambi=1 { N:113.5 } atom: 1348 125W-HA A 3.57 ambi=1 { CA:61 } ::sumAvg: 4.25 atom: 1389 128N-HD21 D2 6.92 ambi=2 { ND2:116.8 } atom: 1348 125W-HA A 3.57 ambi=1 { CA:61 } :: atom: 1390 128N-HD22 D2 7.29 ambi=2 { ND2:116.8 } atom: 1348 125W-HA A 3.57 ambi=1 { CA:61 } ::sumAvg: 3.475 atom: 1395 129V-H N 6.64 ambi=1 { N:122.5 } atom: 1348 125W-HA A 3.57 ambi=1 { CA:61 } ::sumAvg: 4.755 atom: 1352 125W-HE1 E1 9.6 ambi=1 { NE1:130.6 } atom: 1356 125W-HH2 H2 7.06 ambi=1 { CH2:123.1 } ::sumAvg: 4.965 atom: 1385 128N-H N 7.18 ambi=1 { N:116.3 } atom: 1378 127R-QD D 3.11 ambi=2 { CD:43.4 } ::sumAvg: 4.86 atom: 1385 128N-H N 7.18 ambi=1 { N:116.3 } atom: 1396 129V-HA A 4.01 ambi=1 { CA:60.5 } ::sumAvg: 4.905 atom: 1385 128N-H N 7.18 ambi=1 { N:116.3 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } ::sumAvg: 4.74 atom: 1390 128N-HD22 D2 7.29 ambi=2 { ND2:116.8 } atom: 1395 129V-H N 6.64 ambi=1 { N:122.5 } ::sumAvg: 4.955 atom: 1395 129V-H N 6.64 ambi=1 { N:122.5 } atom: 1390 128N-HD22 D2 7.29 ambi=2 { ND2:116.8 } ::sumAvg: 4.955 atom: 1389 128N-HD21 D2 6.92 ambi=2 { ND2:116.8 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } :: atom: 1390 128N-HD22 D2 7.29 ambi=2 { ND2:116.8 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } ::sumAvg: 4.855 atom: 1389 128N-HD21 D2 6.92 ambi=2 { ND2:116.8 } atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } :: atom: 1390 128N-HD22 D2 7.29 ambi=2 { ND2:116.8 } atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } ::sumAvg: 4.08 atom: 1395 129V-H N 6.64 ambi=1 { N:122.5 } atom: 1434 132F-HB2 B 1.98 ambi=1 { CB:36.4 } ::sumAvg: 4.865 atom: 1395 129V-H N 6.64 ambi=1 { N:122.5 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } ::sumAvg: 4.695 atom: 1432 132F-H N 6.28 ambi=1 { N:113.4 } atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } ::sumAvg: 3.41 atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } ::sumAvg: 4.68 atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } ::sumAvg: 4.8 atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } ::sumAvg: 4.8 atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } atom: 1477 136H-HD2 D2 5.82 ambi=1 { CD2:115.6 } ::sumAvg: 4.965 atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } atom: 1484 137L-H N 8.62 ambi=1 { N:121.2 } ::sumAvg: 4.945 atom: 1484 137L-H N 8.62 ambi=1 { N:121.2 } atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } ::sumAvg: 4.945 atom: 1454 134L-H N 10.28 ambi=1 { N:125 } atom: 1473 136H-H N 7.37 ambi=1 { N:115.4 } ::sumAvg: 4.175 atom: 1454 134L-H N 10.28 ambi=1 { N:125 } atom: 1484 137L-H N 8.62 ambi=1 { N:121.2 } ::sumAvg: 4.92 atom: 1484 137L-H N 8.62 ambi=1 { N:121.2 } atom: 1454 134L-H N 10.28 ambi=1 { N:125 } ::sumAvg: 4.92 atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } :: atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } ::sumAvg: 4.8 atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } atom: 1497 138M-H N 7.93 ambi=1 { N:117.1 } ::sumAvg: 4.985 atom: 1497 138M-H N 7.93 ambi=1 { N:117.1 } atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } ::sumAvg: 4.985 atom: 1507 139A-H N 8.35 ambi=1 { N:120.5 } atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } ::sumAvg: 4.655 atom: 1473 136H-H N 7.37 ambi=1 { N:115.4 } atom: 1507 139A-H N 8.35 ambi=1 { N:120.5 } ::sumAvg: 4.84 atom: 1513 140L-H N 8.89 ambi=1 { N:110.9 } atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } :: atom: 1513 140L-H N 8.89 ambi=1 { N:110.9 } atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } ::sumAvg: 4.645 atom: 1484 137L-H N 8.62 ambi=1 { N:121.2 } atom: 1499 138M-HB2 B 2.2 ambi=1 { CB:31.6 } ::sumAvg: 4.915 atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } atom: 1485 137L-HA A 4.15 ambi=1 { CA:58.4 } ::sumAvg: 4.98 atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } ::sumAvg: 4.14 atom: 1513 140L-H N 8.89 ambi=1 { N:110.9 } atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } :: atom: 1513 140L-H N 8.89 ambi=1 { N:110.9 } atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } ::sumAvg: 4.575 atom: 1497 138M-H N 7.93 ambi=1 { N:117.1 } atom: 1513 140L-H N 8.89 ambi=1 { N:110.9 } ::sumAvg: 4.075 atom: 1513 140L-H N 8.89 ambi=1 { N:110.9 } atom: 1497 138M-H N 7.93 ambi=1 { N:117.1 } ::sumAvg: 4.075 atom: 1526 141G-H N 7.41 ambi=1 { N:107.1 } atom: 1497 138M-H N 7.93 ambi=1 { N:117.1 } ::sumAvg: 4.57 atom: 1513 140L-H N 8.89 ambi=1 { N:110.9 } atom: 1498 138M-HA A 4.36 ambi=1 { CA:57 } ::sumAvg: 4.55 atom: 1526 141G-H N 7.41 ambi=1 { N:107.1 } atom: 1498 138M-HA A 4.36 ambi=1 { CA:57 } ::sumAvg: 3.73 atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } atom: 1500 138M-HB3 B 2.46 ambi=1 { CB:31.6 } ::sumAvg: 4.795 atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } ::sumAvg: 4.85 atom: 1526 141G-H N 7.41 ambi=1 { N:107.1 } atom: 1507 139A-H N 8.35 ambi=1 { N:120.5 } ::sumAvg: 3.925 atom: 1507 139A-H N 8.35 ambi=1 { N:120.5 } atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } ::sumAvg: 4.895 atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } atom: 1507 139A-H N 8.35 ambi=1 { N:120.5 } ::sumAvg: 4.895 atom: 1507 139A-H N 8.35 ambi=1 { N:120.5 } atom: 1544 143G-H N 9.07 ambi=1 { N:105.7 } ::sumAvg: 4.875 atom: 1544 143G-H N 9.07 ambi=1 { N:105.7 } atom: 1507 139A-H N 8.35 ambi=1 { N:120.5 } ::sumAvg: 4.875 atom: 1513 140L-H N 8.89 ambi=1 { N:110.9 } atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } ::sumAvg: 4.44 atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } atom: 1513 140L-H N 8.89 ambi=1 { N:110.9 } ::sumAvg: 4.44 atom: 1526 141G-H N 7.41 ambi=1 { N:107.1 } atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } :: atom: 1526 141G-H N 7.41 ambi=1 { N:107.1 } atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } ::sumAvg: 3.425 atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } :: atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } ::sumAvg: 3.615 atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } atom: 1560 145W-H N 7.2 ambi=1 { N:118.4 } ::sumAvg: 4.84 atom: 1560 145W-H N 7.2 ambi=1 { N:118.4 } atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } ::sumAvg: 4.84 atom: 1579 146L-H N 8.68 ambi=1 { N:118.8 } atom: 1535 142L-HG G 1.88 ambi=1 { CG:27 } ::sumAvg: 4.41 atom: 1592 147A-H N 7.31 ambi=1 { N:115 } atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } :: atom: 1592 147A-H N 7.31 ambi=1 { N:115 } atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } ::sumAvg: 4.59 atom: 1579 146L-H N 8.68 ambi=1 { N:118.8 } atom: 1549 144P-HA A 4.25 ambi=1 { CA:64.6 } ::sumAvg: 4.485 atom: 1598 148V-H N 6.91 ambi=1 { N:113.1 } atom: 1549 144P-HA A 4.25 ambi=1 { CA:64.6 } ::sumAvg: 4.735 atom: 1608 149E-H N 7.92 ambi=1 { N:117.5 } atom: 1561 145W-HA A 4.06 ambi=1 { CA:62.3 } ::sumAvg: 4.78 atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } :: atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } ::sumAvg: 4.795 atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } atom: 1569 145W-HH2 H2 6.62 ambi=1 { CH2:122.7 } ::sumAvg: 4.995 atom: 1579 146L-H N 8.68 ambi=1 { N:118.8 } atom: 1598 148V-H N 6.91 ambi=1 { N:113.1 } ::sumAvg: 4.08 atom: 1598 148V-H N 6.91 ambi=1 { N:113.1 } atom: 1579 146L-H N 8.68 ambi=1 { N:118.8 } ::sumAvg: 4.08 atom: 1598 148V-H N 6.91 ambi=1 { N:113.1 } atom: 1580 146L-HA A 3.58 ambi=1 { CA:57.8 } ::sumAvg: 4.025 atom: 1598 148V-H N 6.91 ambi=1 { N:113.1 } atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } :: atom: 1598 148V-H N 6.91 ambi=1 { N:113.1 } atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } ::sumAvg: 4.8 atom: 1618 150I-H N 7.94 ambi=1 { N:115.7 } atom: 1584 146L-HD1 D1 0.88 ambi=2 { CD1:23 } :: atom: 1618 150I-H N 7.94 ambi=1 { N:115.7 } atom: 1585 146L-HD2 D2 1.14 ambi=2 { CD2:27.6 } ::sumAvg: 4.665 atom: 1592 147A-H N 7.31 ambi=1 { N:115 } atom: 1600 148V-HB B 1.8 ambi=1 { CB:33.1 } ::sumAvg: 4.855 atom: 1608 149E-H N 7.92 ambi=1 { N:117.5 } atom: 1592 147A-H N 7.31 ambi=1 { N:115 } ::sumAvg: 4.515 atom: 1592 147A-H N 7.31 ambi=1 { N:115 } atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } ::sumAvg: 4.82 atom: 1618 150I-H N 7.94 ambi=1 { N:115.7 } atom: 1598 148V-H N 6.91 ambi=1 { N:113.1 } ::sumAvg: 4.08 atom: 1598 148V-H N 6.91 ambi=1 { N:113.1 } atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } ::sumAvg: 4.12 atom: 1618 150I-H N 7.94 ambi=1 { N:115.7 } atom: 1600 148V-HB B 1.8 ambi=1 { CB:33.1 } ::sumAvg: 4.88 atom: 1608 149E-H N 7.92 ambi=1 { N:117.5 } atom: 1620 150I-HB B 1.56 ambi=1 { CB:30.6 } ::sumAvg: 4.365 atom: 1608 149E-H N 7.92 ambi=1 { N:117.5 } atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } ::sumAvg: 4.735 atom: 1608 149E-H N 7.92 ambi=1 { N:117.5 } atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } ::sumAvg: 3.185 atom: 1618 150I-H N 7.94 ambi=1 { N:115.7 } atom: 1642 152D-H N 6.55 ambi=1 { N:115.9 } ::sumAvg: 4.205 atom: 1642 152D-H N 6.55 ambi=1 { N:115.9 } atom: 1618 150I-H N 7.94 ambi=1 { N:115.7 } ::sumAvg: 4.205 atom: 1618 150I-H N 7.94 ambi=1 { N:115.7 } atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } :: atom: 1618 150I-H N 7.94 ambi=1 { N:115.7 } atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } ::sumAvg: 4.97 atom: 1642 152D-H N 6.55 ambi=1 { N:115.9 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } ::sumAvg: 4.795 atom: 1649 153L-H N 7.82 ambi=1 { N:118 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } ::sumAvg: 4.425 atom: 1649 153L-H N 7.82 ambi=1 { N:118 } atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } ::sumAvg: 4.35 atom: 1642 152D-H N 6.55 ambi=1 { N:115.9 } atom: 1675 155Q-H N 8.1 ambi=1 { N:121.6 } ::sumAvg: 4.625 atom: 1675 155Q-H N 8.1 ambi=1 { N:121.6 } atom: 1642 152D-H N 6.55 ambi=1 { N:115.9 } ::sumAvg: 4.625 atom: 1642 152D-H N 6.55 ambi=1 { N:115.9 } atom: 1677 155Q-QB B 2.24 ambi=2 { CB:27.9 } ::sumAvg: 4.89 atom: 1688 156K-H N 7.88 ambi=1 { N:115.9 } atom: 1643 152D-HA A 4.33 ambi=1 { CA:57.2 } ::sumAvg: 4.21 atom: 1675 155Q-H N 8.1 ambi=1 { N:121.6 } atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } ::sumAvg: 4.735 atom: 1688 156K-H N 7.88 ambi=1 { N:115.9 } atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } ::sumAvg: 4.67 atom: 1649 153L-H N 7.82 ambi=1 { N:118 } atom: 1664 154I-HB B 1.39 ambi=1 { CB:38.3 } ::sumAvg: 4.745 atom: 1649 153L-H N 7.82 ambi=1 { N:118 } atom: 1665 154I-HG12 G1 0.32 ambi=2 { CG1:29.2 } :: atom: 1649 153L-H N 7.82 ambi=1 { N:118 } atom: 1666 154I-HG13 G1 1.33 ambi=2 { CG1:29.2 } ::sumAvg: 4.405 atom: 1649 153L-H N 7.82 ambi=1 { N:118 } atom: 1677 155Q-QB B 2.24 ambi=2 { CB:27.9 } ::sumAvg: 4.83 atom: 1675 155Q-H N 8.1 ambi=1 { N:121.6 } atom: 1650 153L-HA A 3.88 ambi=1 { CA:57.4 } ::sumAvg: 4.48 atom: 1704 157G-H N 7.93 ambi=1 { N:108 } atom: 1650 153L-HA A 3.88 ambi=1 { CA:57.4 } ::sumAvg: 4.325 atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } atom: 1650 153L-HA A 3.88 ambi=1 { CA:57.4 } ::sumAvg: 3.94 atom: 1719 159I-H N 6.85 ambi=1 { N:112.3 } atom: 1650 153L-HA A 3.88 ambi=1 { CA:57.4 } ::sumAvg: 4.785 atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } atom: 1651 153L-HB2 B 1.16 ambi=2 { CB:41.4 } :: atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } atom: 1652 153L-HB3 B 1.9 ambi=2 { CB:41.4 } ::sumAvg: 4.665 atom: 1688 156K-H N 7.88 ambi=1 { N:115.9 } atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } :: atom: 1688 156K-H N 7.88 ambi=1 { N:115.9 } atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } ::sumAvg: 4.46 atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } :: atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } ::sumAvg: 4.31 atom: 1719 159I-H N 6.85 ambi=1 { N:112.3 } atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } :: atom: 1719 159I-H N 6.85 ambi=1 { N:112.3 } atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } ::sumAvg: 4.66 atom: 1688 156K-H N 7.88 ambi=1 { N:115.9 } atom: 1663 154I-HA A 3.68 ambi=1 { CA:65.1 } ::sumAvg: 4.18 atom: 1688 156K-H N 7.88 ambi=1 { N:115.9 } atom: 1664 154I-HB B 1.39 ambi=1 { CB:38.3 } ::sumAvg: 4.915 atom: 1704 157G-H N 7.93 ambi=1 { N:108 } atom: 1667 154I-HG2 G2 0.81 ambi=1 { CG2:16.7 } ::sumAvg: 4.375 atom: 1704 157G-H N 7.93 ambi=1 { N:108 } atom: 1676 155Q-HA A 4.04 ambi=1 { CA:58.8 } ::sumAvg: 4.09 atom: 1704 157G-H N 7.93 ambi=1 { N:108 } atom: 1677 155Q-QB B 2.24 ambi=2 { CB:27.9 } ::sumAvg: 4.58 atom: 1688 156K-H N 7.88 ambi=1 { N:115.9 } atom: 1705 157G-HA2 A 3.97 ambi=2 { CA:45.6 } :: atom: 1688 156K-H N 7.88 ambi=1 { N:115.9 } atom: 1706 157G-HA3 A 4.11 ambi=2 { CA:45.6 } ::sumAvg: 4.765 atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } atom: 1689 156K-HA A 4.19 ambi=1 { CA:56.9 } ::sumAvg: 4.9 atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } atom: 1692 156K-HG2 G 1.45 ambi=2 { CG:26.3 } :: atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } atom: 1693 156K-HG3 G 1.66 ambi=2 { CG:26.3 } ::sumAvg: 4.705 atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } atom: 1694 156K-HD2 D 1.5 ambi=2 { CD:29.2 } :: atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } atom: 1695 156K-HD3 D 1.59 ambi=2 { CD:29.2 } ::sumAvg: 4.91 atom: 1704 157G-H N 7.93 ambi=1 { N:108 } atom: 1710 158V-HA A 4.04 ambi=1 { CA:63.3 } ::sumAvg: 4.96 atom: 1704 157G-H N 7.93 ambi=1 { N:108 } atom: 1719 159I-H N 6.85 ambi=1 { N:112.3 } ::sumAvg: 3.8 atom: 1719 159I-H N 6.85 ambi=1 { N:112.3 } atom: 1704 157G-H N 7.93 ambi=1 { N:108 } ::sumAvg: 3.8 atom: 1719 159I-H N 6.85 ambi=1 { N:112.3 } atom: 1705 157G-HA2 A 3.97 ambi=2 { CA:45.6 } :: atom: 1719 159I-H N 6.85 ambi=1 { N:112.3 } atom: 1706 157G-HA3 A 4.11 ambi=2 { CA:45.6 } ::sumAvg: 3.8 atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } atom: 1720 159I-HA A 4.64 ambi=1 { CA:59.4 } ::sumAvg: 4.88 atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } atom: 1721 159I-HB B 1.86 ambi=1 { CB:40.7 } ::sumAvg: 4.59 atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } atom: 1722 159I-HG12 G1 0.81 ambi=2 { CG1:25.3 } :: atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } atom: 1723 159I-HG13 G1 1.3 ambi=2 { CG1:25.3 } ::sumAvg: 3.935 atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } atom: 1725 159I-HD1 D1 0.85 ambi=1 { CD1:14.6 } ::sumAvg: 4.955 atom: 1754 162K-H N 8.48 ambi=1 { N:123.6 } atom: 1733 160Q-HA A 4.83 ambi=1 { CA:54.4 } ::sumAvg: 4.82 atom: 1738 160Q-HE21 E2 6.76 ambi=2 { NE2:112.3 } atom: 1734 160Q-HB2 B 1.92 ambi=2 { CB:31.6 } :: atom: 1739 160Q-HE22 E2 7.47 ambi=2 { NE2:112.3 } atom: 1734 160Q-HB2 B 1.92 ambi=2 { CB:31.6 } :: atom: 1738 160Q-HE21 E2 6.76 ambi=2 { NE2:112.3 } atom: 1735 160Q-HB3 B 2.09 ambi=2 { CB:31.6 } :: atom: 1739 160Q-HE22 E2 7.47 ambi=2 { NE2:112.3 } atom: 1735 160Q-HB3 B 2.09 ambi=2 { CB:31.6 } ::sumAvg: 4 atom: 1754 162K-H N 8.48 ambi=1 { N:123.6 } atom: 1734 160Q-HB2 B 1.92 ambi=2 { CB:31.6 } :: atom: 1754 162K-H N 8.48 ambi=1 { N:123.6 } atom: 1735 160Q-HB3 B 2.09 ambi=2 { CB:31.6 } ::sumAvg: 4.865 atom: 1745 161H-H N 8.65 ambi=1 { N:122.1 } atom: 1749 161H-HD2 D2 7.31 ambi=1 { CD2:120.5 } ::sumAvg: 4.455 atom: 1745 161H-H N 8.65 ambi=1 { N:122.1 } atom: 1755 162K-HA A 4.24 ambi=1 { CA:56.7 } ::sumAvg: 4.9 atom: 1770 163E-H N 8.55 ambi=1 { N:119.4 } atom: 1747 161H-HB2 B 2.59 ambi=2 { CB:30.1 } :: atom: 1770 163E-H N 8.55 ambi=1 { N:119.4 } atom: 1748 161H-HB3 B 2.88 ambi=2 { CB:30.1 } ::sumAvg: 4.805 atom: 1780 164K-H N 8.44 ambi=1 { N:122 } atom: 1798 165C-HB2 B 2.81 ambi=2 { CB:27.8 } :: atom: 1780 164K-H N 8.44 ambi=1 { N:122 } atom: 1799 165C-HB3 B 2.88 ambi=2 { CB:27.8 } ::sumAvg: 4.735 atom: 1803 166N-H N 8.55 ambi=1 { N:121 } atom: 1807 166N-HD21 D2 7.61 ambi=2 { ND2:112.7 } :: atom: 1803 166N-H N 8.55 ambi=1 { N:121 } atom: 1808 166N-HD22 D2 6.91 ambi=2 { ND2:112.7 } ::sumAvg: 4.43 atom: 1807 166N-HD21 D2 7.61 ambi=2 { ND2:112.7 } atom: 1803 166N-H N 8.55 ambi=1 { N:121 } :: atom: 1808 166N-HD22 D2 6.91 ambi=2 { ND2:112.7 } atom: 1803 166N-H N 8.55 ambi=1 { N:121 } ::sumAvg: 4.43 atom: 1819 167Q-HE21 E2 7.5 ambi=2 { NE2:112.3 } atom: 1814 167Q-HA A 4.26 ambi=1 { CA:56 } :: atom: 1820 167Q-HE22 E2 6.84 ambi=2 { NE2:112.3 } atom: 1814 167Q-HA A 4.26 ambi=1 { CA:56 } ::sumAvg: 4.695 # Missing interactons for c.peaks atom: 69 10V-HG1 G1 0.94 ambi=2 { CG1:21.7 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } :: atom: 70 10V-HG2 G2 1.01 ambi=2 { CG2:22 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 4.595 atom: 69 10V-HG1 G1 0.94 ambi=2 { CG1:21.7 } atom: 106 14P-HA A 4.51 ambi=1 { CA:63.3 } :: atom: 70 10V-HG2 G2 1.01 ambi=2 { CG2:22 } atom: 106 14P-HA A 4.51 ambi=1 { CA:63.3 } ::sumAvg: 4.34 atom: 69 10V-HG1 G1 0.94 ambi=2 { CG1:21.7 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } :: atom: 70 10V-HG2 G2 1.01 ambi=2 { CG2:22 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } ::sumAvg: 4.805 atom: 69 10V-HG1 G1 0.94 ambi=2 { CG1:21.7 } atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } :: atom: 70 10V-HG2 G2 1.01 ambi=2 { CG2:22 } atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } ::sumAvg: 4.505 atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } atom: 69 10V-HG1 G1 0.94 ambi=2 { CG1:21.7 } :: atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } atom: 70 10V-HG2 G2 1.01 ambi=2 { CG2:22 } ::sumAvg: 4.505 atom: 69 10V-HG1 G1 0.94 ambi=2 { CG1:21.7 } atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } :: atom: 69 10V-HG1 G1 0.94 ambi=2 { CG1:21.7 } atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } :: atom: 70 10V-HG2 G2 1.01 ambi=2 { CG2:22 } atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } :: atom: 70 10V-HG2 G2 1.01 ambi=2 { CG2:22 } atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } ::sumAvg: 4.315 atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } atom: 69 10V-HG1 G1 0.94 ambi=2 { CG1:21.7 } :: atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } atom: 69 10V-HG1 G1 0.94 ambi=2 { CG1:21.7 } :: atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } atom: 70 10V-HG2 G2 1.01 ambi=2 { CG2:22 } :: atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } atom: 70 10V-HG2 G2 1.01 ambi=2 { CG2:22 } ::sumAvg: 4.315 atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 69 10V-HG1 G1 0.94 ambi=2 { CG1:21.7 } :: atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 70 10V-HG2 G2 1.01 ambi=2 { CG2:22 } ::sumAvg: 4.29 atom: 1 3D-HA A 4.65 ambi=1 { CA:54.1 } atom: 7 4E-HA A 4.11 ambi=1 { CA:58.2 } ::sumAvg: 4.56 atom: 7 4E-HA A 4.11 ambi=1 { CA:58.2 } atom: 1 3D-HA A 4.65 ambi=1 { CA:54.1 } ::sumAvg: 4.56 atom: 8 4E-QB B 2.03 ambi=2 { CB:29.4 } atom: 1 3D-HA A 4.65 ambi=1 { CA:54.1 } ::sumAvg: 4.575 atom: 1 3D-HA A 4.65 ambi=1 { CA:54.1 } atom: 16 5A-H N 8.44 ambi=1 { N:122.6 } ::sumAvg: 4.08 atom: 1 3D-HA A 4.65 ambi=1 { CA:54.1 } atom: 18 5A-HB B 1.47 ambi=1 { CB:18.5 } ::sumAvg: 4.67 atom: 1 3D-HA A 4.65 ambi=1 { CA:54.1 } atom: 22 6T-H N 7.95 ambi=1 { N:113.2 } ::sumAvg: 3.58 atom: 1 3D-HA A 4.65 ambi=1 { CA:54.1 } atom: 24 6T-HB B 4.2 ambi=1 { CB:68.6 } ::sumAvg: 3.63 atom: 1 3D-HA A 4.65 ambi=1 { CA:54.1 } atom: 25 6T-HG2 G2 1.24 ambi=1 { CG2:22 } ::sumAvg: 4.91 atom: 25 6T-HG2 G2 1.24 ambi=1 { CG2:22 } atom: 1 3D-HA A 4.65 ambi=1 { CA:54.1 } ::sumAvg: 4.91 atom: 1 3D-HA A 4.65 ambi=1 { CA:54.1 } atom: 30 7R-H N 8.07 ambi=1 { N:121.6 } ::sumAvg: 4.58 atom: 1 3D-HA A 4.65 ambi=1 { CA:54.1 } atom: 34 7R-HG2 G 1.59 ambi=2 { CG:27.3 } :: atom: 1 3D-HA A 4.65 ambi=1 { CA:54.1 } atom: 35 7R-HG3 G 1.72 ambi=2 { CG:27.3 } ::sumAvg: 4.605 atom: 34 7R-HG2 G 1.59 ambi=2 { CG:27.3 } atom: 1 3D-HA A 4.65 ambi=1 { CA:54.1 } :: atom: 35 7R-HG3 G 1.72 ambi=2 { CG:27.3 } atom: 1 3D-HA A 4.65 ambi=1 { CA:54.1 } ::sumAvg: 4.605 atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } atom: 7 4E-HA A 4.11 ambi=1 { CA:58.2 } ::sumAvg: 4.415 atom: 7 4E-HA A 4.11 ambi=1 { CA:58.2 } atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } ::sumAvg: 4.415 atom: 8 4E-QB B 2.03 ambi=2 { CB:29.4 } atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } ::sumAvg: 4.62 atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } atom: 18 5A-HB B 1.47 ambi=1 { CB:18.5 } ::sumAvg: 4.835 atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } atom: 22 6T-H N 7.95 ambi=1 { N:113.2 } ::sumAvg: 3.76 atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } atom: 25 6T-HG2 G2 1.24 ambi=1 { CG2:22 } ::sumAvg: 4.17 atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } atom: 30 7R-H N 8.07 ambi=1 { N:121.6 } ::sumAvg: 3.915 atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } atom: 32 7R-QB B 1.87 ambi=2 { CB:30.1 } ::sumAvg: 4.655 atom: 32 7R-QB B 1.87 ambi=2 { CB:30.1 } atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } ::sumAvg: 4.655 atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } atom: 34 7R-HG2 G 1.59 ambi=2 { CG:27.3 } :: atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } atom: 35 7R-HG3 G 1.72 ambi=2 { CG:27.3 } ::sumAvg: 3.42 atom: 34 7R-HG2 G 1.59 ambi=2 { CG:27.3 } atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } :: atom: 35 7R-HG3 G 1.72 ambi=2 { CG:27.3 } atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } ::sumAvg: 3.42 atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } atom: 36 7R-QD D 3.21 ambi=2 { CD:43.1 } ::sumAvg: 4.875 atom: 36 7R-QD D 3.21 ambi=2 { CD:43.1 } atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } ::sumAvg: 4.875 atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } atom: 1339 124L-HD1 D1 0.93 ambi=2 { CD1:23.5 } :: atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } atom: 1340 124L-HD2 D2 1.04 ambi=2 { CD2:26.2 } ::sumAvg: 4.5 atom: 1339 124L-HD1 D1 0.93 ambi=2 { CD1:23.5 } atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } :: atom: 1340 124L-HD2 D2 1.04 ambi=2 { CD2:26.2 } atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } ::sumAvg: 4.5 atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } atom: 1518 140L-HD1 D1 0.8 ambi=2 { CD1:26.1 } :: atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } atom: 1519 140L-HD2 D2 0.92 ambi=2 { CD2:22.7 } ::sumAvg: 4.945 atom: 1518 140L-HD1 D1 0.8 ambi=2 { CD1:26.1 } atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } :: atom: 1519 140L-HD2 D2 0.92 ambi=2 { CD2:22.7 } atom: 2 3D-QB B 2.76 ambi=2 { CB:40.9 } ::sumAvg: 4.945 atom: 8 4E-QB B 2.03 ambi=2 { CB:29.4 } atom: 22 6T-H N 7.95 ambi=1 { N:113.2 } ::sumAvg: 4.71 atom: 8 4E-QB B 2.03 ambi=2 { CB:29.4 } atom: 30 7R-H N 8.07 ambi=1 { N:121.6 } ::sumAvg: 4.96 atom: 10 4E-QG G 2.32 ambi=2 { CG:35.9 } atom: 18 5A-HB B 1.47 ambi=1 { CB:18.5 } ::sumAvg: 4.78 atom: 10 4E-QG G 2.32 ambi=2 { CG:35.9 } atom: 30 7R-H N 8.07 ambi=1 { N:121.6 } ::sumAvg: 4.99 atom: 10 4E-QG G 2.32 ambi=2 { CG:35.9 } atom: 32 7R-QB B 1.87 ambi=2 { CB:30.1 } ::sumAvg: 4.04 atom: 32 7R-QB B 1.87 ambi=2 { CB:30.1 } atom: 10 4E-QG G 2.32 ambi=2 { CG:35.9 } ::sumAvg: 4.04 atom: 10 4E-QG G 2.32 ambi=2 { CG:35.9 } atom: 43 8R-H N 8.18 ambi=1 { N:120.5 } ::sumAvg: 4.975 atom: 10 4E-QG G 2.32 ambi=2 { CG:35.9 } atom: 47 8R-QG G 1.6 ambi=2 { CG:27.3 } ::sumAvg: 3.92 atom: 47 8R-QG G 1.6 ambi=2 { CG:27.3 } atom: 10 4E-QG G 2.32 ambi=2 { CG:35.9 } ::sumAvg: 3.92 atom: 10 4E-QG G 2.32 ambi=2 { CG:35.9 } atom: 49 8R-QD D 3.21 ambi=2 { CD:43.2 } ::sumAvg: 4.35 atom: 49 8R-QD D 3.21 ambi=2 { CD:43.2 } atom: 10 4E-QG G 2.32 ambi=2 { CG:35.9 } ::sumAvg: 4.35 atom: 24 6T-HB B 4.2 ambi=1 { CB:68.6 } atom: 16 5A-H N 8.44 ambi=1 { N:122.6 } ::sumAvg: 4.795 atom: 17 5A-HA A 4.21 ambi=1 { CA:54.2 } atom: 30 7R-H N 8.07 ambi=1 { N:121.6 } ::sumAvg: 4.515 atom: 17 5A-HA A 4.21 ambi=1 { CA:54.2 } atom: 47 8R-QG G 1.6 ambi=2 { CG:27.3 } ::sumAvg: 4.06 atom: 17 5A-HA A 4.21 ambi=1 { CA:54.2 } atom: 59 9V-HG1 G1 1.01 ambi=2 { CG1:21.1 } :: atom: 17 5A-HA A 4.21 ambi=1 { CA:54.2 } atom: 60 9V-HG2 G2 1.1 ambi=2 { CG2:21.8 } ::sumAvg: 3.965 atom: 18 5A-HB B 1.47 ambi=1 { CB:18.5 } atom: 23 6T-HA A 4.07 ambi=1 { CA:64.2 } ::sumAvg: 3.84 atom: 18 5A-HB B 1.47 ambi=1 { CB:18.5 } atom: 30 7R-H N 8.07 ambi=1 { N:121.6 } ::sumAvg: 4.59 atom: 18 5A-HB B 1.47 ambi=1 { CB:18.5 } atom: 45 8R-QB B 1.9 ambi=2 { CB:30.2 } ::sumAvg: 4.05 atom: 45 8R-QB B 1.9 ambi=2 { CB:30.2 } atom: 18 5A-HB B 1.47 ambi=1 { CB:18.5 } ::sumAvg: 4.05 atom: 18 5A-HB B 1.47 ambi=1 { CB:18.5 } atom: 49 8R-QD D 3.21 ambi=2 { CD:43.2 } ::sumAvg: 4.37 atom: 18 5A-HB B 1.47 ambi=1 { CB:18.5 } atom: 59 9V-HG1 G1 1.01 ambi=2 { CG1:21.1 } ::sumAvg: 3.41 atom: 59 9V-HG1 G1 1.01 ambi=2 { CG1:21.1 } atom: 18 5A-HB B 1.47 ambi=1 { CB:18.5 } ::sumAvg: 3.41 atom: 18 5A-HB B 1.47 ambi=1 { CB:18.5 } atom: 1518 140L-HD1 D1 0.8 ambi=2 { CD1:26.1 } :: atom: 18 5A-HB B 1.47 ambi=1 { CB:18.5 } atom: 1519 140L-HD2 D2 0.92 ambi=2 { CD2:22.7 } ::sumAvg: 4.645 atom: 23 6T-HA A 4.07 ambi=1 { CA:64.2 } atom: 43 8R-H N 8.18 ambi=1 { N:120.5 } ::sumAvg: 4.38 atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } atom: 23 6T-HA A 4.07 ambi=1 { CA:64.2 } ::sumAvg: 4.445 atom: 24 6T-HB B 4.2 ambi=1 { CB:68.6 } atom: 36 7R-QD D 3.21 ambi=2 { CD:43.1 } ::sumAvg: 4.99 atom: 25 6T-HG2 G2 1.24 ambi=1 { CG2:22 } atom: 35 7R-HG3 G 1.72 ambi=2 { CG:27.3 } ::sumAvg: 3.89 atom: 35 7R-HG3 G 1.72 ambi=2 { CG:27.3 } atom: 25 6T-HG2 G2 1.24 ambi=1 { CG2:22 } ::sumAvg: 3.89 atom: 25 6T-HG2 G2 1.24 ambi=1 { CG2:22 } atom: 36 7R-QD D 3.21 ambi=2 { CD:43.1 } ::sumAvg: 4.455 atom: 36 7R-QD D 3.21 ambi=2 { CD:43.1 } atom: 25 6T-HG2 G2 1.24 ambi=1 { CG2:22 } ::sumAvg: 4.455 atom: 25 6T-HG2 G2 1.24 ambi=1 { CG2:22 } atom: 67 10V-HA A 3.81 ambi=1 { CA:64.2 } ::sumAvg: 4.865 atom: 67 10V-HA A 3.81 ambi=1 { CA:64.2 } atom: 25 6T-HG2 G2 1.24 ambi=1 { CG2:22 } ::sumAvg: 4.865 atom: 25 6T-HG2 G2 1.24 ambi=1 { CG2:22 } atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } ::sumAvg: 4.65 atom: 25 6T-HG2 G2 1.24 ambi=1 { CG2:22 } atom: 1517 140L-HG G 1.64 ambi=1 { CG:27 } ::sumAvg: 4.03 atom: 1517 140L-HG G 1.64 ambi=1 { CG:27 } atom: 25 6T-HG2 G2 1.24 ambi=1 { CG2:22 } ::sumAvg: 4.03 atom: 1518 140L-HD1 D1 0.8 ambi=2 { CD1:26.1 } atom: 30 7R-H N 8.07 ambi=1 { N:121.6 } :: atom: 1519 140L-HD2 D2 0.92 ambi=2 { CD2:22.7 } atom: 30 7R-H N 8.07 ambi=1 { N:121.6 } ::sumAvg: 4.88 atom: 34 7R-HG2 G 1.59 ambi=2 { CG:27.3 } atom: 68 10V-HB B 2.19 ambi=1 { CB:31.9 } :: atom: 35 7R-HG3 G 1.72 ambi=2 { CG:27.3 } atom: 68 10V-HB B 2.19 ambi=1 { CB:31.9 } ::sumAvg: 4.7 atom: 68 10V-HB B 2.19 ambi=1 { CB:31.9 } atom: 34 7R-HG2 G 1.59 ambi=2 { CG:27.3 } :: atom: 68 10V-HB B 2.19 ambi=1 { CB:31.9 } atom: 35 7R-HG3 G 1.72 ambi=2 { CG:27.3 } ::sumAvg: 4.7 atom: 58 9V-HB B 2.21 ambi=1 { CB:32.2 } atom: 43 8R-H N 8.18 ambi=1 { N:120.5 } ::sumAvg: 4.73 atom: 59 9V-HG1 G1 1.01 ambi=2 { CG1:21.1 } atom: 43 8R-H N 8.18 ambi=1 { N:120.5 } :: atom: 60 9V-HG2 G2 1.1 ambi=2 { CG2:21.8 } atom: 43 8R-H N 8.18 ambi=1 { N:120.5 } ::sumAvg: 4.245 atom: 87 12E-HG2 G 2.21 ambi=2 { CG:36.3 } atom: 44 8R-HA A 4.19 ambi=1 { CA:57.8 } :: atom: 88 12E-HG3 G 2.4 ambi=2 { CG:36.3 } atom: 44 8R-HA A 4.19 ambi=1 { CA:57.8 } ::sumAvg: 4.58 atom: 45 8R-QB B 1.9 ambi=2 { CB:30.2 } atom: 88 12E-HG3 G 2.4 ambi=2 { CG:36.3 } ::sumAvg: 4.52 atom: 88 12E-HG3 G 2.4 ambi=2 { CG:36.3 } atom: 45 8R-QB B 1.9 ambi=2 { CB:30.2 } ::sumAvg: 4.52 atom: 57 9V-HA A 3.95 ambi=1 { CA:64.5 } atom: 47 8R-QG G 1.6 ambi=2 { CG:27.3 } ::sumAvg: 4.71 atom: 78 11S-QB B 3.98 ambi=2 { CB:63.2 } atom: 47 8R-QG G 1.6 ambi=2 { CG:27.3 } ::sumAvg: 4.475 atom: 47 8R-QG G 1.6 ambi=2 { CG:27.3 } atom: 87 12E-HG2 G 2.21 ambi=2 { CG:36.3 } :: atom: 47 8R-QG G 1.6 ambi=2 { CG:27.3 } atom: 88 12E-HG3 G 2.4 ambi=2 { CG:36.3 } ::sumAvg: 4.78 atom: 87 12E-HG2 G 2.21 ambi=2 { CG:36.3 } atom: 47 8R-QG G 1.6 ambi=2 { CG:27.3 } :: atom: 88 12E-HG3 G 2.4 ambi=2 { CG:36.3 } atom: 47 8R-QG G 1.6 ambi=2 { CG:27.3 } ::sumAvg: 4.78 atom: 59 9V-HG1 G1 1.01 ambi=2 { CG1:21.1 } atom: 49 8R-QD D 3.21 ambi=2 { CD:43.2 } :: atom: 60 9V-HG2 G2 1.1 ambi=2 { CG2:21.8 } atom: 49 8R-QD D 3.21 ambi=2 { CD:43.2 } ::sumAvg: 4.68 atom: 57 9V-HA A 3.95 ambi=1 { CA:64.5 } atom: 76 11S-H N 8.07 ambi=1 { N:116.9 } ::sumAvg: 4.335 atom: 57 9V-HA A 3.95 ambi=1 { CA:64.5 } atom: 96 13I-HG12 G1 0.36 ambi=2 { CG1:27.5 } :: atom: 57 9V-HA A 3.95 ambi=1 { CA:64.5 } atom: 97 13I-HG13 G1 1.61 ambi=2 { CG1:27.5 } ::sumAvg: 4 atom: 96 13I-HG12 G1 0.36 ambi=2 { CG1:27.5 } atom: 57 9V-HA A 3.95 ambi=1 { CA:64.5 } :: atom: 97 13I-HG13 G1 1.61 ambi=2 { CG1:27.5 } atom: 57 9V-HA A 3.95 ambi=1 { CA:64.5 } ::sumAvg: 4 atom: 57 9V-HA A 3.95 ambi=1 { CA:64.5 } atom: 93 13I-H N 7.66 ambi=1 { N:122.5 } ::sumAvg: 4.88 atom: 57 9V-HA A 3.95 ambi=1 { CA:64.5 } atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } ::sumAvg: 4.15 atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } atom: 57 9V-HA A 3.95 ambi=1 { CA:64.5 } ::sumAvg: 4.15 atom: 57 9V-HA A 3.95 ambi=1 { CA:64.5 } atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } ::sumAvg: 4.755 atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } atom: 57 9V-HA A 3.95 ambi=1 { CA:64.5 } ::sumAvg: 4.755 atom: 57 9V-HA A 3.95 ambi=1 { CA:64.5 } atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } ::sumAvg: 4.735 atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } atom: 57 9V-HA A 3.95 ambi=1 { CA:64.5 } ::sumAvg: 4.735 atom: 58 9V-HB B 2.21 ambi=1 { CB:32.2 } atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } ::sumAvg: 4.15 atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } atom: 58 9V-HB B 2.21 ambi=1 { CB:32.2 } ::sumAvg: 3.37 atom: 58 9V-HB B 2.21 ambi=1 { CB:32.2 } atom: 1517 140L-HG G 1.64 ambi=1 { CG:27 } ::sumAvg: 4.935 atom: 1517 140L-HG G 1.64 ambi=1 { CG:27 } atom: 58 9V-HB B 2.21 ambi=1 { CB:32.2 } ::sumAvg: 4.935 atom: 59 9V-HG1 G1 1.01 ambi=2 { CG1:21.1 } atom: 67 10V-HA A 3.81 ambi=1 { CA:64.2 } :: atom: 60 9V-HG2 G2 1.1 ambi=2 { CG2:21.8 } atom: 67 10V-HA A 3.81 ambi=1 { CA:64.2 } ::sumAvg: 3.135 atom: 85 12E-HB2 B 1.96 ambi=1 { CB:30.1 } atom: 59 9V-HG1 G1 1.01 ambi=2 { CG1:21.1 } :: atom: 85 12E-HB2 B 1.96 ambi=1 { CB:30.1 } atom: 60 9V-HG2 G2 1.1 ambi=2 { CG2:21.8 } ::sumAvg: 3.99 atom: 59 9V-HG1 G1 1.01 ambi=2 { CG1:21.1 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } :: atom: 60 9V-HG2 G2 1.1 ambi=2 { CG2:21.8 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 3.98 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 59 9V-HG1 G1 1.01 ambi=2 { CG1:21.1 } :: atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 60 9V-HG2 G2 1.1 ambi=2 { CG2:21.8 } ::sumAvg: 4.79 atom: 59 9V-HG1 G1 1.01 ambi=2 { CG1:21.1 } atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } :: atom: 60 9V-HG2 G2 1.1 ambi=2 { CG2:21.8 } atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } ::sumAvg: 4.145 atom: 59 9V-HG1 G1 1.01 ambi=2 { CG1:21.1 } atom: 1474 136H-HA A 3.57 ambi=1 { CA:61.9 } :: atom: 60 9V-HG2 G2 1.1 ambi=2 { CG2:21.8 } atom: 1474 136H-HA A 3.57 ambi=1 { CA:61.9 } ::sumAvg: 4.005 atom: 59 9V-HG1 G1 1.01 ambi=2 { CG1:21.1 } atom: 1477 136H-HD2 D2 5.82 ambi=1 { CD2:115.6 } :: atom: 60 9V-HG2 G2 1.1 ambi=2 { CG2:21.8 } atom: 1477 136H-HD2 D2 5.82 ambi=1 { CD2:115.6 } ::sumAvg: 3.965 atom: 59 9V-HG1 G1 1.01 ambi=2 { CG1:21.1 } atom: 1507 139A-H N 8.35 ambi=1 { N:120.5 } :: atom: 60 9V-HG2 G2 1.1 ambi=2 { CG2:21.8 } atom: 1507 139A-H N 8.35 ambi=1 { N:120.5 } ::sumAvg: 4.785 atom: 1508 139A-HA A 4.49 ambi=1 { CA:55.8 } atom: 59 9V-HG1 G1 1.01 ambi=2 { CG1:21.1 } :: atom: 1508 139A-HA A 4.49 ambi=1 { CA:55.8 } atom: 60 9V-HG2 G2 1.1 ambi=2 { CG2:21.8 } ::sumAvg: 4.19 atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } atom: 66 10V-H N 8.12 ambi=1 { N:118.3 } ::sumAvg: 4.76 atom: 1518 140L-HD1 D1 0.8 ambi=2 { CD1:26.1 } atom: 66 10V-H N 8.12 ambi=1 { N:118.3 } :: atom: 1519 140L-HD2 D2 0.92 ambi=2 { CD2:22.7 } atom: 66 10V-H N 8.12 ambi=1 { N:118.3 } ::sumAvg: 4.38 atom: 67 10V-HA A 3.81 ambi=1 { CA:64.2 } atom: 77 11S-HA A 4.33 ambi=1 { CA:60.1 } ::sumAvg: 4.795 atom: 77 11S-HA A 4.33 ambi=1 { CA:60.1 } atom: 67 10V-HA A 3.81 ambi=1 { CA:64.2 } ::sumAvg: 4.795 atom: 67 10V-HA A 3.81 ambi=1 { CA:64.2 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 4.16 atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } atom: 67 10V-HA A 3.81 ambi=1 { CA:64.2 } ::sumAvg: 4.16 atom: 1477 136H-HD2 D2 5.82 ambi=1 { CD2:115.6 } atom: 67 10V-HA A 3.81 ambi=1 { CA:64.2 } ::sumAvg: 3.08 atom: 67 10V-HA A 3.81 ambi=1 { CA:64.2 } atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } ::sumAvg: 4.84 atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } atom: 67 10V-HA A 3.81 ambi=1 { CA:64.2 } ::sumAvg: 4.84 atom: 1518 140L-HD1 D1 0.8 ambi=2 { CD1:26.1 } atom: 67 10V-HA A 3.81 ambi=1 { CA:64.2 } :: atom: 1519 140L-HD2 D2 0.92 ambi=2 { CD2:22.7 } atom: 67 10V-HA A 3.81 ambi=1 { CA:64.2 } ::sumAvg: 4.76 atom: 78 11S-QB B 3.98 ambi=2 { CB:63.2 } atom: 93 13I-H N 7.66 ambi=1 { N:122.5 } ::sumAvg: 4.685 atom: 85 12E-HB2 B 1.96 ambi=1 { CB:30.1 } atom: 76 11S-H N 8.07 ambi=1 { N:116.9 } ::sumAvg: 4.995 atom: 87 12E-HG2 G 2.21 ambi=2 { CG:36.3 } atom: 76 11S-H N 8.07 ambi=1 { N:116.9 } :: atom: 88 12E-HG3 G 2.4 ambi=2 { CG:36.3 } atom: 76 11S-H N 8.07 ambi=1 { N:116.9 } ::sumAvg: 4.545 atom: 77 11S-HA A 4.33 ambi=1 { CA:60.1 } atom: 93 13I-H N 7.66 ambi=1 { N:122.5 } ::sumAvg: 3.88 atom: 85 12E-HB2 B 1.96 ambi=1 { CB:30.1 } atom: 96 13I-HG12 G1 0.36 ambi=2 { CG1:27.5 } :: atom: 86 12E-HB3 B 2.19 ambi=1 { CB:30.1 } atom: 96 13I-HG12 G1 0.36 ambi=2 { CG1:27.5 } :: atom: 86 12E-HB3 B 2.19 ambi=1 { CB:30.1 } atom: 97 13I-HG13 G1 1.61 ambi=2 { CG1:27.5 } ::sumAvg: 3.01 atom: 96 13I-HG12 G1 0.36 ambi=2 { CG1:27.5 } atom: 85 12E-HB2 B 1.96 ambi=1 { CB:30.1 } :: atom: 96 13I-HG12 G1 0.36 ambi=2 { CG1:27.5 } atom: 86 12E-HB3 B 2.19 ambi=1 { CB:30.1 } :: atom: 97 13I-HG13 G1 1.61 ambi=2 { CG1:27.5 } atom: 86 12E-HB3 B 2.19 ambi=1 { CB:30.1 } ::sumAvg: 3.01 atom: 85 12E-HB2 B 1.96 ambi=1 { CB:30.1 } atom: 94 13I-HA A 4.14 ambi=1 { CA:59.2 } :: atom: 86 12E-HB3 B 2.19 ambi=1 { CB:30.1 } atom: 94 13I-HA A 4.14 ambi=1 { CA:59.2 } ::sumAvg: 4.755 atom: 85 12E-HB2 B 1.96 ambi=1 { CB:30.1 } atom: 95 13I-HB B 1.29 ambi=1 { CB:39.1 } ::sumAvg: 4.99 atom: 95 13I-HB B 1.29 ambi=1 { CB:39.1 } atom: 85 12E-HB2 B 1.96 ambi=1 { CB:30.1 } ::sumAvg: 4.99 atom: 85 12E-HB2 B 1.96 ambi=1 { CB:30.1 } atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } ::sumAvg: 4.295 atom: 86 12E-HB3 B 2.19 ambi=1 { CB:30.1 } atom: 111 14P-HD2 D 3.72 ambi=2 { CD:50.7 } :: atom: 86 12E-HB3 B 2.19 ambi=1 { CB:30.1 } atom: 112 14P-HD3 D 4.08 ambi=2 { CD:50.7 } ::sumAvg: 4.85 atom: 111 14P-HD2 D 3.72 ambi=2 { CD:50.7 } atom: 86 12E-HB3 B 2.19 ambi=1 { CB:30.1 } :: atom: 112 14P-HD3 D 4.08 ambi=2 { CD:50.7 } atom: 86 12E-HB3 B 2.19 ambi=1 { CB:30.1 } ::sumAvg: 4.85 atom: 86 12E-HB3 B 2.19 ambi=1 { CB:30.1 } atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } ::sumAvg: 4.235 atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 86 12E-HB3 B 2.19 ambi=1 { CB:30.1 } ::sumAvg: 4.235 atom: 85 12E-HB2 B 1.96 ambi=1 { CB:30.1 } atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } :: atom: 86 12E-HB3 B 2.19 ambi=1 { CB:30.1 } atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } ::sumAvg: 4.495 atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } atom: 85 12E-HB2 B 1.96 ambi=1 { CB:30.1 } :: atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } atom: 85 12E-HB2 B 1.96 ambi=1 { CB:30.1 } :: atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } atom: 86 12E-HB3 B 2.19 ambi=1 { CB:30.1 } :: atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } atom: 86 12E-HB3 B 2.19 ambi=1 { CB:30.1 } ::sumAvg: 3.505 atom: 94 13I-HA A 4.14 ambi=1 { CA:59.2 } atom: 83 12E-H N 7.79 ambi=1 { N:119.8 } ::sumAvg: 4.95 atom: 95 13I-HB B 1.29 ambi=1 { CB:39.1 } atom: 83 12E-H N 7.79 ambi=1 { N:119.8 } ::sumAvg: 4.58 atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } atom: 83 12E-H N 7.79 ambi=1 { N:119.8 } ::sumAvg: 4.87 atom: 111 14P-HD2 D 3.72 ambi=2 { CD:50.7 } atom: 83 12E-H N 7.79 ambi=1 { N:119.8 } :: atom: 112 14P-HD3 D 4.08 ambi=2 { CD:50.7 } atom: 83 12E-H N 7.79 ambi=1 { N:119.8 } ::sumAvg: 4.93 atom: 84 12E-HA A 4.35 ambi=1 { CA:56 } atom: 111 14P-HD2 D 3.72 ambi=2 { CD:50.7 } ::sumAvg: 3.545 atom: 84 12E-HA A 4.35 ambi=1 { CA:56 } atom: 469 45N-HD21 D2 7.98 ambi=2 { ND2:110.8 } :: atom: 84 12E-HA A 4.35 ambi=1 { CA:56 } atom: 470 45N-HD22 D2 6.74 ambi=2 { ND2:110.8 } ::sumAvg: 3.09 atom: 111 14P-HD2 D 3.72 ambi=2 { CD:50.7 } atom: 96 13I-HG12 G1 0.36 ambi=2 { CG1:27.5 } :: atom: 112 14P-HD3 D 4.08 ambi=2 { CD:50.7 } atom: 96 13I-HG12 G1 0.36 ambi=2 { CG1:27.5 } :: atom: 111 14P-HD2 D 3.72 ambi=2 { CD:50.7 } atom: 97 13I-HG13 G1 1.61 ambi=2 { CG1:27.5 } :: atom: 112 14P-HD3 D 4.08 ambi=2 { CD:50.7 } atom: 97 13I-HG13 G1 1.61 ambi=2 { CG1:27.5 } ::sumAvg: 4.595 atom: 419 41R-HB2 B 1.95 ambi=2 { CB:29.4 } atom: 96 13I-HG12 G1 0.36 ambi=2 { CG1:27.5 } :: atom: 420 41R-HB3 B 2.07 ambi=2 { CB:29.4 } atom: 96 13I-HG12 G1 0.36 ambi=2 { CG1:27.5 } :: atom: 420 41R-HB3 B 2.07 ambi=2 { CB:29.4 } atom: 97 13I-HG13 G1 1.61 ambi=2 { CG1:27.5 } ::sumAvg: 4.66 atom: 96 13I-HG12 G1 0.36 ambi=2 { CG1:27.5 } atom: 430 42Y-H N 8.25 ambi=1 { N:119.9 } :: atom: 97 13I-HG13 G1 1.61 ambi=2 { CG1:27.5 } atom: 430 42Y-H N 8.25 ambi=1 { N:119.9 } ::sumAvg: 4.17 atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 96 13I-HG12 G1 0.36 ambi=2 { CG1:27.5 } :: atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 97 13I-HG13 G1 1.61 ambi=2 { CG1:27.5 } ::sumAvg: 3.4 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 96 13I-HG12 G1 0.36 ambi=2 { CG1:27.5 } :: atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 97 13I-HG13 G1 1.61 ambi=2 { CG1:27.5 } ::sumAvg: 2.815 atom: 96 13I-HG12 G1 0.36 ambi=2 { CG1:27.5 } atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } :: atom: 97 13I-HG13 G1 1.61 ambi=2 { CG1:27.5 } atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } ::sumAvg: 3.04 atom: 96 13I-HG12 G1 0.36 ambi=2 { CG1:27.5 } atom: 1477 136H-HD2 D2 5.82 ambi=1 { CD2:115.6 } :: atom: 97 13I-HG13 G1 1.61 ambi=2 { CG1:27.5 } atom: 1477 136H-HD2 D2 5.82 ambi=1 { CD2:115.6 } ::sumAvg: 4.55 atom: 1477 136H-HD2 D2 5.82 ambi=1 { CD2:115.6 } atom: 96 13I-HG12 G1 0.36 ambi=2 { CG1:27.5 } :: atom: 1477 136H-HD2 D2 5.82 ambi=1 { CD2:115.6 } atom: 97 13I-HG13 G1 1.61 ambi=2 { CG1:27.5 } ::sumAvg: 4.55 atom: 87 12E-HG2 G 2.21 ambi=2 { CG:36.3 } atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } :: atom: 87 12E-HG2 G 2.21 ambi=2 { CG:36.3 } atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } :: atom: 88 12E-HG3 G 2.4 ambi=2 { CG:36.3 } atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } :: atom: 88 12E-HG3 G 2.4 ambi=2 { CG:36.3 } atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } ::sumAvg: 4.835 atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } atom: 87 12E-HG2 G 2.21 ambi=2 { CG:36.3 } :: atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } atom: 87 12E-HG2 G 2.21 ambi=2 { CG:36.3 } :: atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } atom: 88 12E-HG3 G 2.4 ambi=2 { CG:36.3 } :: atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } atom: 88 12E-HG3 G 2.4 ambi=2 { CG:36.3 } ::sumAvg: 4.835 atom: 106 14P-HA A 4.51 ambi=1 { CA:63.3 } atom: 93 13I-H N 7.66 ambi=1 { N:122.5 } ::sumAvg: 4.705 atom: 109 14P-QG G 2.1 ambi=2 { CG:27.7 } atom: 93 13I-H N 7.66 ambi=1 { N:122.5 } ::sumAvg: 4.855 atom: 111 14P-HD2 D 3.72 ambi=2 { CD:50.7 } atom: 93 13I-H N 7.66 ambi=1 { N:122.5 } :: atom: 112 14P-HD3 D 4.08 ambi=2 { CD:50.7 } atom: 93 13I-H N 7.66 ambi=1 { N:122.5 } ::sumAvg: 3.385 atom: 1477 136H-HD2 D2 5.82 ambi=1 { CD2:115.6 } atom: 93 13I-H N 7.66 ambi=1 { N:122.5 } ::sumAvg: 4.98 atom: 109 14P-QG G 2.1 ambi=2 { CG:27.7 } atom: 94 13I-HA A 4.14 ambi=1 { CA:59.2 } ::sumAvg: 4.035 atom: 94 13I-HA A 4.14 ambi=1 { CA:59.2 } atom: 387 38S-HG G 5.22 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.77 atom: 421 41R-HG2 G 1.74 ambi=2 { CG:26.1 } atom: 94 13I-HA A 4.14 ambi=1 { CA:59.2 } :: atom: 422 41R-HG3 G 1.93 ambi=2 { CG:26.1 } atom: 94 13I-HA A 4.14 ambi=1 { CA:59.2 } ::sumAvg: 3.855 atom: 94 13I-HA A 4.14 ambi=1 { CA:59.2 } atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } ::sumAvg: 4.715 atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 94 13I-HA A 4.14 ambi=1 { CA:59.2 } ::sumAvg: 4.715 atom: 94 13I-HA A 4.14 ambi=1 { CA:59.2 } atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } ::sumAvg: 4.255 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 94 13I-HA A 4.14 ambi=1 { CA:59.2 } ::sumAvg: 4.255 atom: 95 13I-HB B 1.29 ambi=1 { CB:39.1 } atom: 111 14P-HD2 D 3.72 ambi=2 { CD:50.7 } :: atom: 95 13I-HB B 1.29 ambi=1 { CB:39.1 } atom: 112 14P-HD3 D 4.08 ambi=2 { CD:50.7 } ::sumAvg: 4.885 atom: 111 14P-HD2 D 3.72 ambi=2 { CD:50.7 } atom: 95 13I-HB B 1.29 ambi=1 { CB:39.1 } :: atom: 112 14P-HD3 D 4.08 ambi=2 { CD:50.7 } atom: 95 13I-HB B 1.29 ambi=1 { CB:39.1 } ::sumAvg: 4.885 atom: 95 13I-HB B 1.29 ambi=1 { CB:39.1 } atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } ::sumAvg: 4.865 atom: 95 13I-HB B 1.29 ambi=1 { CB:39.1 } atom: 1474 136H-HA A 3.57 ambi=1 { CA:61.9 } ::sumAvg: 4.39 atom: 1474 136H-HA A 3.57 ambi=1 { CA:61.9 } atom: 95 13I-HB B 1.29 ambi=1 { CB:39.1 } ::sumAvg: 4.39 atom: 95 13I-HB B 1.29 ambi=1 { CB:39.1 } atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } ::sumAvg: 4.895 atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 95 13I-HB B 1.29 ambi=1 { CB:39.1 } ::sumAvg: 4.895 atom: 175 20A-HA A 4.74 ambi=1 { CA:51.9 } atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } ::sumAvg: 4.45 atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } atom: 175 20A-HA A 4.74 ambi=1 { CA:51.9 } ::sumAvg: 4.45 atom: 175 20A-HA A 4.74 ambi=1 { CA:51.9 } atom: 244 27L-HD1 D1 0.91 ambi=2 { CD1:22.8 } :: atom: 175 20A-HA A 4.74 ambi=1 { CA:51.9 } atom: 245 27L-HD2 D2 1.01 ambi=2 { CD2:25.2 } ::sumAvg: 4.32 atom: 244 27L-HD1 D1 0.91 ambi=2 { CD1:22.8 } atom: 175 20A-HA A 4.74 ambi=1 { CA:51.9 } :: atom: 245 27L-HD2 D2 1.01 ambi=2 { CD2:25.2 } atom: 175 20A-HA A 4.74 ambi=1 { CA:51.9 } ::sumAvg: 4.32 atom: 175 20A-HA A 4.74 ambi=1 { CA:51.9 } atom: 300 31R-QD D 2.71 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.98 atom: 175 20A-HA A 4.74 ambi=1 { CA:51.9 } atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } :: atom: 175 20A-HA A 4.74 ambi=1 { CA:51.9 } atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } ::sumAvg: 4.57 atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } atom: 175 20A-HA A 4.74 ambi=1 { CA:51.9 } :: atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } atom: 175 20A-HA A 4.74 ambi=1 { CA:51.9 } ::sumAvg: 4.57 atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } atom: 176 20A-HB B 1.47 ambi=1 { CB:24.4 } ::sumAvg: 3.66 atom: 254 28W-HB2 B 3.29 ambi=1 { CB:29.5 } atom: 176 20A-HB B 1.47 ambi=1 { CB:24.4 } ::sumAvg: 4.325 atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } atom: 106 14P-HA A 4.51 ambi=1 { CA:63.3 } ::sumAvg: 4.64 atom: 106 14P-HA A 4.51 ambi=1 { CA:63.3 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 4.64 atom: 107 14P-HB2 B 1.93 ambi=1 { CB:31.8 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 4.755 atom: 109 14P-QG G 2.1 ambi=2 { CG:27.7 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 4.9 atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } atom: 118 15V-HA A 4.44 ambi=1 { CA:61.6 } ::sumAvg: 4.18 atom: 118 15V-HA A 4.44 ambi=1 { CA:61.6 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 4.18 atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } atom: 392 39L-HA A 4.23 ambi=1 { CA:58.8 } ::sumAvg: 4.36 atom: 392 39L-HA A 4.23 ambi=1 { CA:58.8 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 4.36 atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } :: atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 4.37 atom: 419 41R-HB2 B 1.95 ambi=2 { CB:29.4 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } :: atom: 420 41R-HB3 B 2.07 ambi=2 { CB:29.4 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 3.93 atom: 421 41R-HG2 G 1.74 ambi=2 { CG:26.1 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } :: atom: 422 41R-HG3 G 1.93 ambi=2 { CG:26.1 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 4.85 atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 4.84 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 2.995 atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } ::sumAvg: 4.645 atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } :: atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 4.715 atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } ::sumAvg: 4.1 atom: 1468 135A-HA A 3.75 ambi=1 { CA:55.6 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 4.335 atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } :: atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 4.775 atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 98 13I-HG2 G2 0.18 ambi=1 { CG2:17.2 } ::sumAvg: 3.525 atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } ::sumAvg: 4.825 atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } ::sumAvg: 4.825 atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } :: atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } ::sumAvg: 4.58 atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } atom: 430 42Y-H N 8.25 ambi=1 { N:119.9 } ::sumAvg: 4.775 atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } ::sumAvg: 3.9 atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } ::sumAvg: 3.9 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } ::sumAvg: 2.82 atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } atom: 469 45N-HD21 D2 7.98 ambi=2 { ND2:110.8 } :: atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } atom: 470 45N-HD22 D2 6.74 ambi=2 { ND2:110.8 } ::sumAvg: 4.56 atom: 1468 135A-HA A 3.75 ambi=1 { CA:55.6 } atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } ::sumAvg: 3.95 atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } :: atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } ::sumAvg: 4.77 atom: 1499 138M-HB2 B 2.2 ambi=1 { CB:31.6 } atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } ::sumAvg: 4.82 atom: 1508 139A-HA A 4.49 ambi=1 { CA:55.8 } atom: 99 13I-HD1 D1 -0.19 ambi=1 { CD1:13.1 } ::sumAvg: 4.665 atom: 107 14P-HB2 B 1.93 ambi=1 { CB:31.8 } atom: 132 16L-HD1 D1 1 ambi=2 { CD1:27 } :: atom: 107 14P-HB2 B 1.93 ambi=1 { CB:31.8 } atom: 133 16L-HD2 D2 1.18 ambi=2 { CD2:25.5 } ::sumAvg: 4.82 atom: 132 16L-HD1 D1 1 ambi=2 { CD1:27 } atom: 107 14P-HB2 B 1.93 ambi=1 { CB:31.8 } :: atom: 133 16L-HD2 D2 1.18 ambi=2 { CD2:25.5 } atom: 107 14P-HB2 B 1.93 ambi=1 { CB:31.8 } ::sumAvg: 4.82 atom: 107 14P-HB2 B 1.93 ambi=1 { CB:31.8 } atom: 387 38S-HG G 5.22 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.545 atom: 109 14P-QG G 2.1 ambi=2 { CG:27.7 } atom: 117 15V-H N 8.04 ambi=1 { N:116.5 } ::sumAvg: 4.525 atom: 109 14P-QG G 2.1 ambi=2 { CG:27.7 } atom: 423 41R-HD2 D 3.37 ambi=2 { CD:42.2 } :: atom: 109 14P-QG G 2.1 ambi=2 { CG:27.7 } atom: 424 41R-HD3 D 3.42 ambi=2 { CD:42.2 } ::sumAvg: 4.215 atom: 111 14P-HD2 D 3.72 ambi=2 { CD:50.7 } atom: 387 38S-HG G 5.22 ambi=1 {attached_atom is not_assigned} :: atom: 112 14P-HD3 D 4.08 ambi=2 { CD:50.7 } atom: 387 38S-HG G 5.22 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.515 atom: 112 14P-HD3 D 4.08 ambi=2 { CD:50.7 } atom: 423 41R-HD2 D 3.37 ambi=2 { CD:42.2 } :: atom: 112 14P-HD3 D 4.08 ambi=2 { CD:50.7 } atom: 424 41R-HD3 D 3.42 ambi=2 { CD:42.2 } ::sumAvg: 4.725 atom: 423 41R-HD2 D 3.37 ambi=2 { CD:42.2 } atom: 112 14P-HD3 D 4.08 ambi=2 { CD:50.7 } :: atom: 424 41R-HD3 D 3.42 ambi=2 { CD:42.2 } atom: 112 14P-HD3 D 4.08 ambi=2 { CD:50.7 } ::sumAvg: 4.725 atom: 132 16L-HD1 D1 1 ambi=2 { CD1:27 } atom: 117 15V-H N 8.04 ambi=1 { N:116.5 } :: atom: 133 16L-HD2 D2 1.18 ambi=2 { CD2:25.5 } atom: 117 15V-H N 8.04 ambi=1 { N:116.5 } ::sumAvg: 4.81 atom: 129 16L-HB2 B 1.51 ambi=1 { CB:41.3 } atom: 118 15V-HA A 4.44 ambi=1 { CA:61.6 } ::sumAvg: 4.38 atom: 118 15V-HA A 4.44 ambi=1 { CA:61.6 } atom: 387 38S-HG G 5.22 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.645 atom: 118 15V-HA A 4.44 ambi=1 { CA:61.6 } atom: 1433 132F-HA A 4.03 ambi=1 { CA:51.9 } ::sumAvg: 4.445 atom: 1433 132F-HA A 4.03 ambi=1 { CA:51.9 } atom: 118 15V-HA A 4.44 ambi=1 { CA:61.6 } ::sumAvg: 4.445 atom: 118 15V-HA A 4.44 ambi=1 { CA:61.6 } atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } ::sumAvg: 4.83 atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 118 15V-HA A 4.44 ambi=1 { CA:61.6 } ::sumAvg: 2.205 atom: 119 15V-HB B 2.37 ambi=1 { CB:32.8 } atom: 128 16L-HA A 4.56 ambi=1 { CA:56 } ::sumAvg: 4.77 atom: 129 16L-HB2 B 1.51 ambi=1 { CB:41.3 } atom: 119 15V-HB B 2.37 ambi=1 { CB:32.8 } ::sumAvg: 4.37 atom: 119 15V-HB B 2.37 ambi=1 { CB:32.8 } atom: 1432 132F-H N 6.28 ambi=1 { N:113.4 } ::sumAvg: 4.97 atom: 119 15V-HB B 2.37 ambi=1 { CB:32.8 } atom: 1433 132F-HA A 4.03 ambi=1 { CA:51.9 } ::sumAvg: 4.82 atom: 1433 132F-HA A 4.03 ambi=1 { CA:51.9 } atom: 119 15V-HB B 2.37 ambi=1 { CB:32.8 } ::sumAvg: 4.82 atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 119 15V-HB B 2.37 ambi=1 { CB:32.8 } ::sumAvg: 3.815 atom: 141 17K-HA A 4.41 ambi=1 { CA:57 } atom: 120 15V-HG1 G1 0.96 ambi=2 { CG1:18.2 } :: atom: 141 17K-HA A 4.41 ambi=1 { CA:57 } atom: 121 15V-HG2 G2 1.13 ambi=2 { CG2:22 } ::sumAvg: 4.45 atom: 1433 132F-HA A 4.03 ambi=1 { CA:51.9 } atom: 120 15V-HG1 G1 0.96 ambi=2 { CG1:18.2 } :: atom: 1433 132F-HA A 4.03 ambi=1 { CA:51.9 } atom: 121 15V-HG2 G2 1.13 ambi=2 { CG2:22 } ::sumAvg: 4.025 atom: 120 15V-HG1 G1 0.96 ambi=2 { CG1:18.2 } atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } :: atom: 121 15V-HG2 G2 1.13 ambi=2 { CG2:22 } atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } ::sumAvg: 4.945 atom: 120 15V-HG1 G1 0.96 ambi=2 { CG1:18.2 } atom: 1477 136H-HD2 D2 5.82 ambi=1 { CD2:115.6 } :: atom: 121 15V-HG2 G2 1.13 ambi=2 { CG2:22 } atom: 1477 136H-HD2 D2 5.82 ambi=1 { CD2:115.6 } ::sumAvg: 4.695 atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 120 15V-HG1 G1 0.96 ambi=2 { CG1:18.2 } :: atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 121 15V-HG2 G2 1.13 ambi=2 { CG2:22 } ::sumAvg: 2.735 atom: 1418 131K-HB2 B 1.74 ambi=2 { CB:32.6 } atom: 127 16L-H N 9.12 ambi=1 { N:126.3 } :: atom: 1419 131K-HB3 B 1.6 ambi=2 { CB:32.6 } atom: 127 16L-H N 9.12 ambi=1 { N:126.3 } ::sumAvg: 3.31 atom: 1420 131K-HG2 G 1.26 ambi=2 { CG:25.7 } atom: 127 16L-H N 9.12 ambi=1 { N:126.3 } :: atom: 1421 131K-HG3 G 1.46 ambi=2 { CG:25.7 } atom: 127 16L-H N 9.12 ambi=1 { N:126.3 } ::sumAvg: 4.495 atom: 1433 132F-HA A 4.03 ambi=1 { CA:51.9 } atom: 127 16L-H N 9.12 ambi=1 { N:126.3 } ::sumAvg: 4.57 atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 127 16L-H N 9.12 ambi=1 { N:126.3 } ::sumAvg: 3.495 atom: 128 16L-HA A 4.56 ambi=1 { CA:56 } atom: 142 17K-QB B 1.76 ambi=2 { CB:35.9 } ::sumAvg: 4.305 atom: 128 16L-HA A 4.56 ambi=1 { CA:56 } atom: 144 17K-QG G 1.29 ambi=2 { CG:24.6 } ::sumAvg: 4.57 atom: 128 16L-HA A 4.56 ambi=1 { CA:56 } atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } ::sumAvg: 4.17 atom: 337 34E-HB2 B 2.27 ambi=1 { CB:29.2 } atom: 128 16L-HA A 4.56 ambi=1 { CA:56 } :: atom: 338 34E-HB3 B 2.71 ambi=1 { CB:29.2 } atom: 128 16L-HA A 4.56 ambi=1 { CA:56 } ::sumAvg: 3.035 atom: 339 34E-HG2 G 2.4 ambi=2 { CG:35.5 } atom: 128 16L-HA A 4.56 ambi=1 { CA:56 } :: atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } atom: 128 16L-HA A 4.56 ambi=1 { CA:56 } ::sumAvg: 4.185 atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } atom: 141 17K-HA A 4.41 ambi=1 { CA:57 } ::sumAvg: 4.42 atom: 141 17K-HA A 4.41 ambi=1 { CA:57 } atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } ::sumAvg: 4.42 atom: 129 16L-HB2 B 1.51 ambi=1 { CB:41.3 } atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } :: atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } ::sumAvg: 2.995 atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } ::sumAvg: 4.65 atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } ::sumAvg: 4.65 atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } atom: 159 18T-HG2 G2 1.25 ambi=1 { CG2:22 } ::sumAvg: 4.74 atom: 159 18T-HG2 G2 1.25 ambi=1 { CG2:22 } atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } ::sumAvg: 4.74 atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } atom: 164 19N-H N 9.34 ambi=1 { N:128.7 } ::sumAvg: 4.335 atom: 166 19N-HB2 B 2.32 ambi=1 { CB:36.8 } atom: 129 16L-HB2 B 1.51 ambi=1 { CB:41.3 } :: atom: 166 19N-HB2 B 2.32 ambi=1 { CB:36.8 } atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } ::sumAvg: 4.605 atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } atom: 295 31R-HA A 4.12 ambi=1 { CA:58.1 } ::sumAvg: 4.45 atom: 297 31R-HB3 B 2.31 ambi=2 { CB:29.8 } atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } ::sumAvg: 4.9 atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } ::sumAvg: 4.255 atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } atom: 300 31R-QD D 2.71 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.785 atom: 129 16L-HB2 B 1.51 ambi=1 { CB:41.3 } atom: 338 34E-HB3 B 2.71 ambi=1 { CB:29.2 } :: atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } atom: 338 34E-HB3 B 2.71 ambi=1 { CB:29.2 } ::sumAvg: 3.625 atom: 338 34E-HB3 B 2.71 ambi=1 { CB:29.2 } atom: 129 16L-HB2 B 1.51 ambi=1 { CB:41.3 } :: atom: 338 34E-HB3 B 2.71 ambi=1 { CB:29.2 } atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } ::sumAvg: 3.625 atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } atom: 339 34E-HG2 G 2.4 ambi=2 { CG:35.5 } :: atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } ::sumAvg: 4.68 atom: 339 34E-HG2 G 2.4 ambi=2 { CG:35.5 } atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } :: atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } ::sumAvg: 4.68 atom: 129 16L-HB2 B 1.51 ambi=1 { CB:41.3 } atom: 1416 131K-H N 8.76 ambi=1 { N:122.6 } ::sumAvg: 4.185 atom: 129 16L-HB2 B 1.51 ambi=1 { CB:41.3 } atom: 1417 131K-HA A 4.17 ambi=1 { CA:57.9 } :: atom: 130 16L-HB3 B 1.88 ambi=1 { CB:41.3 } atom: 1417 131K-HA A 4.17 ambi=1 { CA:57.9 } ::sumAvg: 2.915 atom: 129 16L-HB2 B 1.51 ambi=1 { CB:41.3 } atom: 1432 132F-H N 6.28 ambi=1 { N:113.4 } ::sumAvg: 4.485 atom: 129 16L-HB2 B 1.51 ambi=1 { CB:41.3 } atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } :: atom: 129 16L-HB2 B 1.51 ambi=1 { CB:41.3 } atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } ::sumAvg: 4.585 atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 129 16L-HB2 B 1.51 ambi=1 { CB:41.3 } :: atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } atom: 129 16L-HB2 B 1.51 ambi=1 { CB:41.3 } ::sumAvg: 4.585 atom: 129 16L-HB2 B 1.51 ambi=1 { CB:41.3 } atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } ::sumAvg: 4.775 atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 129 16L-HB2 B 1.51 ambi=1 { CB:41.3 } ::sumAvg: 4.775 atom: 131 16L-HG G 1.7 ambi=1 { CG:31.1 } atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } ::sumAvg: 4.665 atom: 131 16L-HG G 1.7 ambi=1 { CG:31.1 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } ::sumAvg: 4.775 atom: 337 34E-HB2 B 2.27 ambi=1 { CB:29.2 } atom: 131 16L-HG G 1.7 ambi=1 { CG:31.1 } :: atom: 338 34E-HB3 B 2.71 ambi=1 { CB:29.2 } atom: 131 16L-HG G 1.7 ambi=1 { CG:31.1 } ::sumAvg: 2.205 atom: 339 34E-HG2 G 2.4 ambi=2 { CG:35.5 } atom: 131 16L-HG G 1.7 ambi=1 { CG:31.1 } :: atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } atom: 131 16L-HG G 1.7 ambi=1 { CG:31.1 } ::sumAvg: 3.885 atom: 131 16L-HG G 1.7 ambi=1 { CG:31.1 } atom: 345 35E-H N 8.98 ambi=1 { N:120.6 } ::sumAvg: 3.82 atom: 131 16L-HG G 1.7 ambi=1 { CG:31.1 } atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } ::sumAvg: 3.62 atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } atom: 131 16L-HG G 1.7 ambi=1 { CG:31.1 } ::sumAvg: 3.62 atom: 131 16L-HG G 1.7 ambi=1 { CG:31.1 } atom: 347 35E-HB2 B 2.22 ambi=1 { CB:28.4 } :: atom: 131 16L-HG G 1.7 ambi=1 { CG:31.1 } atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } ::sumAvg: 4.835 atom: 347 35E-HB2 B 2.22 ambi=1 { CB:28.4 } atom: 131 16L-HG G 1.7 ambi=1 { CG:31.1 } :: atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } atom: 131 16L-HG G 1.7 ambi=1 { CG:31.1 } ::sumAvg: 4.835 atom: 131 16L-HG G 1.7 ambi=1 { CG:31.1 } atom: 387 38S-HG G 5.22 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.865 atom: 132 16L-HD1 D1 1 ambi=2 { CD1:27 } atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } :: atom: 133 16L-HD2 D2 1.18 ambi=2 { CD2:25.5 } atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } ::sumAvg: 4.205 atom: 132 16L-HD1 D1 1 ambi=2 { CD1:27 } atom: 164 19N-H N 9.34 ambi=1 { N:128.7 } :: atom: 133 16L-HD2 D2 1.18 ambi=2 { CD2:25.5 } atom: 164 19N-H N 9.34 ambi=1 { N:128.7 } ::sumAvg: 4.82 atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } atom: 132 16L-HD1 D1 1 ambi=2 { CD1:27 } :: atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } atom: 133 16L-HD2 D2 1.18 ambi=2 { CD2:25.5 } ::sumAvg: 3.945 atom: 132 16L-HD1 D1 1 ambi=2 { CD1:27 } atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } :: atom: 133 16L-HD2 D2 1.18 ambi=2 { CD2:25.5 } atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } ::sumAvg: 4.745 atom: 339 34E-HG2 G 2.4 ambi=2 { CG:35.5 } atom: 132 16L-HD1 D1 1 ambi=2 { CD1:27 } :: atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } atom: 132 16L-HD1 D1 1 ambi=2 { CD1:27 } :: atom: 339 34E-HG2 G 2.4 ambi=2 { CG:35.5 } atom: 133 16L-HD2 D2 1.18 ambi=2 { CD2:25.5 } :: atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } atom: 133 16L-HD2 D2 1.18 ambi=2 { CD2:25.5 } ::sumAvg: 4.595 atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } atom: 132 16L-HD1 D1 1 ambi=2 { CD1:27 } :: atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } atom: 133 16L-HD2 D2 1.18 ambi=2 { CD2:25.5 } ::sumAvg: 2.555 atom: 132 16L-HD1 D1 1 ambi=2 { CD1:27 } atom: 1432 132F-H N 6.28 ambi=1 { N:113.4 } :: atom: 133 16L-HD2 D2 1.18 ambi=2 { CD2:25.5 } atom: 1432 132F-H N 6.28 ambi=1 { N:113.4 } ::sumAvg: 4.675 atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 132 16L-HD1 D1 1 ambi=2 { CD1:27 } :: atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 133 16L-HD2 D2 1.18 ambi=2 { CD2:25.5 } ::sumAvg: 3.02 atom: 157 18T-HA A 3.89 ambi=1 { CA:65.4 } atom: 140 17K-H N 8.31 ambi=1 { N:116.8 } ::sumAvg: 4.76 atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } atom: 140 17K-H N 8.31 ambi=1 { N:116.8 } ::sumAvg: 4.44 atom: 159 18T-HG2 G2 1.25 ambi=1 { CG2:22 } atom: 140 17K-H N 8.31 ambi=1 { N:116.8 } ::sumAvg: 4.68 atom: 295 31R-HA A 4.12 ambi=1 { CA:58.1 } atom: 140 17K-H N 8.31 ambi=1 { N:116.8 } ::sumAvg: 4.88 atom: 339 34E-HG2 G 2.4 ambi=2 { CG:35.5 } atom: 140 17K-H N 8.31 ambi=1 { N:116.8 } :: atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } atom: 140 17K-H N 8.31 ambi=1 { N:116.8 } ::sumAvg: 3.26 atom: 141 17K-HA A 4.41 ambi=1 { CA:57 } atom: 148 17K-QE E 2.92 ambi=2 { CE:41.8 } ::sumAvg: 4.36 atom: 141 17K-HA A 4.41 ambi=1 { CA:57 } atom: 157 18T-HA A 3.89 ambi=1 { CA:65.4 } ::sumAvg: 4.595 atom: 157 18T-HA A 3.89 ambi=1 { CA:65.4 } atom: 141 17K-HA A 4.41 ambi=1 { CA:57 } ::sumAvg: 4.595 atom: 141 17K-HA A 4.41 ambi=1 { CA:57 } atom: 1424 131K-HE2 E 2.87 ambi=2 { CE:41.9 } :: atom: 141 17K-HA A 4.41 ambi=1 { CA:57 } atom: 1425 131K-HE3 E 2.91 ambi=2 { CE:41.9 } ::sumAvg: 4.615 atom: 142 17K-QB B 1.76 ambi=2 { CB:35.9 } atom: 157 18T-HA A 3.89 ambi=1 { CA:65.4 } ::sumAvg: 4.135 atom: 157 18T-HA A 3.89 ambi=1 { CA:65.4 } atom: 142 17K-QB B 1.76 ambi=2 { CB:35.9 } ::sumAvg: 4.135 atom: 142 17K-QB B 1.76 ambi=2 { CB:35.9 } atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } ::sumAvg: 4.145 atom: 142 17K-QB B 1.76 ambi=2 { CB:35.9 } atom: 338 34E-HB3 B 2.71 ambi=1 { CB:29.2 } ::sumAvg: 4.81 atom: 338 34E-HB3 B 2.71 ambi=1 { CB:29.2 } atom: 142 17K-QB B 1.76 ambi=2 { CB:35.9 } ::sumAvg: 4.81 atom: 142 17K-QB B 1.76 ambi=2 { CB:35.9 } atom: 339 34E-HG2 G 2.4 ambi=2 { CG:35.5 } :: atom: 142 17K-QB B 1.76 ambi=2 { CB:35.9 } atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } ::sumAvg: 3.465 atom: 339 34E-HG2 G 2.4 ambi=2 { CG:35.5 } atom: 142 17K-QB B 1.76 ambi=2 { CB:35.9 } :: atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } atom: 142 17K-QB B 1.76 ambi=2 { CB:35.9 } ::sumAvg: 3.465 atom: 144 17K-QG G 1.29 ambi=2 { CG:24.6 } atom: 157 18T-HA A 3.89 ambi=1 { CA:65.4 } ::sumAvg: 4.755 atom: 144 17K-QG G 1.29 ambi=2 { CG:24.6 } atom: 339 34E-HG2 G 2.4 ambi=2 { CG:35.5 } :: atom: 144 17K-QG G 1.29 ambi=2 { CG:24.6 } atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } ::sumAvg: 4.07 atom: 339 34E-HG2 G 2.4 ambi=2 { CG:35.5 } atom: 144 17K-QG G 1.29 ambi=2 { CG:24.6 } :: atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } atom: 144 17K-QG G 1.29 ambi=2 { CG:24.6 } ::sumAvg: 4.07 atom: 146 17K-QD D 1.6 ambi=2 { CD:29.2 } atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } ::sumAvg: 4.775 atom: 339 34E-HG2 G 2.4 ambi=2 { CG:35.5 } atom: 146 17K-QD D 1.6 ambi=2 { CD:29.2 } :: atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } atom: 146 17K-QD D 1.6 ambi=2 { CD:29.2 } ::sumAvg: 4.49 atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } ::sumAvg: 4.975 atom: 295 31R-HA A 4.12 ambi=1 { CA:58.1 } atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } ::sumAvg: 4.41 atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } ::sumAvg: 4.945 atom: 337 34E-HB2 B 2.27 ambi=1 { CB:29.2 } atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } :: atom: 338 34E-HB3 B 2.71 ambi=1 { CB:29.2 } atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } ::sumAvg: 4.71 atom: 339 34E-HG2 G 2.4 ambi=2 { CG:35.5 } atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } :: atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } atom: 156 18T-H N 10.39 ambi=1 { N:121.3 } ::sumAvg: 3.61 atom: 157 18T-HA A 3.89 ambi=1 { CA:65.4 } atom: 176 20A-HB B 1.47 ambi=1 { CB:24.4 } ::sumAvg: 4.895 atom: 176 20A-HB B 1.47 ambi=1 { CB:24.4 } atom: 157 18T-HA A 3.89 ambi=1 { CA:65.4 } ::sumAvg: 4.895 atom: 157 18T-HA A 3.89 ambi=1 { CA:65.4 } atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } ::sumAvg: 4.865 atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } atom: 157 18T-HA A 3.89 ambi=1 { CA:65.4 } ::sumAvg: 4.865 atom: 157 18T-HA A 3.89 ambi=1 { CA:65.4 } atom: 167 19N-HB3 B 3.25 ambi=1 { CB:36.8 } ::sumAvg: 4.805 atom: 167 19N-HB3 B 3.25 ambi=1 { CB:36.8 } atom: 157 18T-HA A 3.89 ambi=1 { CA:65.4 } ::sumAvg: 4.805 atom: 157 18T-HA A 3.89 ambi=1 { CA:65.4 } atom: 244 27L-HD1 D1 0.91 ambi=2 { CD1:22.8 } :: atom: 157 18T-HA A 3.89 ambi=1 { CA:65.4 } atom: 245 27L-HD2 D2 1.01 ambi=2 { CD2:25.2 } ::sumAvg: 4.79 atom: 244 27L-HD1 D1 0.91 ambi=2 { CD1:22.8 } atom: 157 18T-HA A 3.89 ambi=1 { CA:65.4 } :: atom: 245 27L-HD2 D2 1.01 ambi=2 { CD2:25.2 } atom: 157 18T-HA A 3.89 ambi=1 { CA:65.4 } ::sumAvg: 4.79 atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } ::sumAvg: 4.865 atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } ::sumAvg: 4.865 atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } atom: 174 20A-H N 7.02 ambi=1 { N:123.5 } ::sumAvg: 4.895 atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } atom: 283 30Q-QB B 2.23 ambi=2 { CB:28 } ::sumAvg: 4.4 atom: 283 30Q-QB B 2.23 ambi=2 { CB:28 } atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } ::sumAvg: 4.4 atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } atom: 285 30Q-QG G 2.45 ambi=2 { CG:33.3 } ::sumAvg: 4.39 atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } atom: 287 30Q-HE21 E2 6.95 ambi=2 { NE2:113.9 } :: atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } atom: 288 30Q-HE22 E2 8.08 ambi=2 { NE2:113.9 } ::sumAvg: 4.695 atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } ::sumAvg: 4.3 atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } atom: 300 31R-QD D 2.71 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.365 atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } atom: 339 34E-HG2 G 2.4 ambi=2 { CG:35.5 } :: atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } ::sumAvg: 4.685 atom: 339 34E-HG2 G 2.4 ambi=2 { CG:35.5 } atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } :: atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } atom: 158 18T-HB B 3.96 ambi=1 { CB:68.1 } ::sumAvg: 4.685 atom: 159 18T-HG2 G2 1.25 ambi=1 { CG2:22 } atom: 175 20A-HA A 4.74 ambi=1 { CA:51.9 } ::sumAvg: 4.55 atom: 175 20A-HA A 4.74 ambi=1 { CA:51.9 } atom: 159 18T-HG2 G2 1.25 ambi=1 { CG2:22 } ::sumAvg: 4.55 atom: 159 18T-HG2 G2 1.25 ambi=1 { CG2:22 } atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } ::sumAvg: 3.685 atom: 159 18T-HG2 G2 1.25 ambi=1 { CG2:22 } atom: 167 19N-HB3 B 3.25 ambi=1 { CB:36.8 } ::sumAvg: 4.74 atom: 243 27L-HG G 1.77 ambi=1 { CG:27 } atom: 159 18T-HG2 G2 1.25 ambi=1 { CG2:22 } ::sumAvg: 3.005 atom: 159 18T-HG2 G2 1.25 ambi=1 { CG2:22 } atom: 252 28W-H N 8.01 ambi=1 { N:121.6 } ::sumAvg: 4.985 atom: 159 18T-HG2 G2 1.25 ambi=1 { CG2:22 } atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } ::sumAvg: 4.645 atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } atom: 159 18T-HG2 G2 1.25 ambi=1 { CG2:22 } ::sumAvg: 4.645 atom: 296 31R-HB2 B 1.78 ambi=2 { CB:29.8 } atom: 159 18T-HG2 G2 1.25 ambi=1 { CG2:22 } :: atom: 297 31R-HB3 B 2.31 ambi=2 { CB:29.8 } atom: 159 18T-HG2 G2 1.25 ambi=1 { CG2:22 } ::sumAvg: 3.16 atom: 159 18T-HG2 G2 1.25 ambi=1 { CG2:22 } atom: 285 30Q-QG G 2.45 ambi=2 { CG:33.3 } ::sumAvg: 3.525 atom: 159 18T-HG2 G2 1.25 ambi=1 { CG2:22 } atom: 300 31R-QD D 2.71 ambi=2 {attached_atom is not_assigned} ::sumAvg: 3.145 atom: 175 20A-HA A 4.74 ambi=1 { CA:51.9 } atom: 164 19N-H N 9.34 ambi=1 { N:128.7 } ::sumAvg: 4.845 atom: 176 20A-HB B 1.47 ambi=1 { CB:24.4 } atom: 164 19N-H N 9.34 ambi=1 { N:128.7 } ::sumAvg: 4.05 atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } atom: 164 19N-H N 9.34 ambi=1 { N:128.7 } ::sumAvg: 4.545 atom: 296 31R-HB2 B 1.78 ambi=2 { CB:29.8 } atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } :: atom: 297 31R-HB3 B 2.31 ambi=2 { CB:29.8 } atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } ::sumAvg: 4.86 atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } ::sumAvg: 3.715 atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } atom: 300 31R-QD D 2.71 ambi=2 {attached_atom is not_assigned} ::sumAvg: 2.94 atom: 1011 91P-HG2 G 1.5 ambi=2 { CG:25.1 } atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } :: atom: 1012 91P-HG3 G 1.77 ambi=2 { CG:25.1 } atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } ::sumAvg: 3.83 atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } :: atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } ::sumAvg: 4.125 atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } :: atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } ::sumAvg: 4.125 atom: 165 19N-HA A 4.6 ambi=1 { CA:51.1 } atom: 1416 131K-H N 8.76 ambi=1 { N:122.6 } ::sumAvg: 4.88 atom: 167 19N-HB3 B 3.25 ambi=1 { CB:36.8 } atom: 175 20A-HA A 4.74 ambi=1 { CA:51.9 } ::sumAvg: 4.91 atom: 175 20A-HA A 4.74 ambi=1 { CA:51.9 } atom: 167 19N-HB3 B 3.25 ambi=1 { CB:36.8 } ::sumAvg: 4.91 atom: 167 19N-HB3 B 3.25 ambi=1 { CB:36.8 } atom: 300 31R-QD D 2.71 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.495 atom: 1011 91P-HG2 G 1.5 ambi=2 { CG:25.1 } atom: 166 19N-HB2 B 2.32 ambi=1 { CB:36.8 } :: atom: 1012 91P-HG3 G 1.77 ambi=2 { CG:25.1 } atom: 166 19N-HB2 B 2.32 ambi=1 { CB:36.8 } :: atom: 1011 91P-HG2 G 1.5 ambi=2 { CG:25.1 } atom: 167 19N-HB3 B 3.25 ambi=1 { CB:36.8 } :: atom: 1012 91P-HG3 G 1.77 ambi=2 { CG:25.1 } atom: 167 19N-HB3 B 3.25 ambi=1 { CB:36.8 } ::sumAvg: 3.84 atom: 166 19N-HB2 B 2.32 ambi=1 { CB:36.8 } atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } :: atom: 166 19N-HB2 B 2.32 ambi=1 { CB:36.8 } atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } :: atom: 167 19N-HB3 B 3.25 ambi=1 { CB:36.8 } atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } ::sumAvg: 4.39 atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } atom: 166 19N-HB2 B 2.32 ambi=1 { CB:36.8 } :: atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } atom: 166 19N-HB2 B 2.32 ambi=1 { CB:36.8 } :: atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } atom: 167 19N-HB3 B 3.25 ambi=1 { CB:36.8 } ::sumAvg: 4.39 atom: 166 19N-HB2 B 2.32 ambi=1 { CB:36.8 } atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } :: atom: 167 19N-HB3 B 3.25 ambi=1 { CB:36.8 } atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } ::sumAvg: 4.365 atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } atom: 166 19N-HB2 B 2.32 ambi=1 { CB:36.8 } :: atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } atom: 167 19N-HB3 B 3.25 ambi=1 { CB:36.8 } ::sumAvg: 4.365 atom: 1408 130P-HG2 G 1.25 ambi=2 { CG:24.1 } atom: 166 19N-HB2 B 2.32 ambi=1 { CB:36.8 } :: atom: 1409 130P-HG3 G 1.72 ambi=2 { CG:24.1 } atom: 166 19N-HB2 B 2.32 ambi=1 { CB:36.8 } ::sumAvg: 4.52 atom: 1011 91P-HG2 G 1.5 ambi=2 { CG:25.1 } atom: 168 19N-HD21 D2 6.5 ambi=2 { ND2:107.7 } :: atom: 1012 91P-HG3 G 1.77 ambi=2 { CG:25.1 } atom: 168 19N-HD21 D2 6.5 ambi=2 { ND2:107.7 } :: atom: 1011 91P-HG2 G 1.5 ambi=2 { CG:25.1 } atom: 169 19N-HD22 D2 7.45 ambi=2 { ND2:107.7 } :: atom: 1012 91P-HG3 G 1.77 ambi=2 { CG:25.1 } atom: 169 19N-HD22 D2 7.45 ambi=2 { ND2:107.7 } ::sumAvg: 4.125 atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } atom: 168 19N-HD21 D2 6.5 ambi=2 { ND2:107.7 } :: atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } atom: 169 19N-HD22 D2 7.45 ambi=2 { ND2:107.7 } ::sumAvg: 3.79 atom: 1406 130P-HB2 B 1.22 ambi=1 { CB:32.6 } atom: 168 19N-HD21 D2 6.5 ambi=2 { ND2:107.7 } :: atom: 1407 130P-HB3 B 1.47 ambi=1 { CB:32.6 } atom: 168 19N-HD21 D2 6.5 ambi=2 { ND2:107.7 } :: atom: 1406 130P-HB2 B 1.22 ambi=1 { CB:32.6 } atom: 169 19N-HD22 D2 7.45 ambi=2 { ND2:107.7 } :: atom: 1407 130P-HB3 B 1.47 ambi=1 { CB:32.6 } atom: 169 19N-HD22 D2 7.45 ambi=2 { ND2:107.7 } ::sumAvg: 3.655 atom: 1408 130P-HG2 G 1.25 ambi=2 { CG:24.1 } atom: 168 19N-HD21 D2 6.5 ambi=2 { ND2:107.7 } :: atom: 1409 130P-HG3 G 1.72 ambi=2 { CG:24.1 } atom: 168 19N-HD21 D2 6.5 ambi=2 { ND2:107.7 } :: atom: 1408 130P-HG2 G 1.25 ambi=2 { CG:24.1 } atom: 169 19N-HD22 D2 7.45 ambi=2 { ND2:107.7 } :: atom: 1409 130P-HG3 G 1.72 ambi=2 { CG:24.1 } atom: 169 19N-HD22 D2 7.45 ambi=2 { ND2:107.7 } ::sumAvg: 4.785 atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } atom: 174 20A-H N 7.02 ambi=1 { N:123.5 } :: atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } atom: 174 20A-H N 7.02 ambi=1 { N:123.5 } ::sumAvg: 4.555 atom: 242 27L-HB3 B 1.81 ambi=1 { CB:42.7 } atom: 174 20A-H N 7.02 ambi=1 { N:123.5 } ::sumAvg: 4.98 atom: 296 31R-HB2 B 1.78 ambi=2 { CB:29.8 } atom: 174 20A-H N 7.02 ambi=1 { N:123.5 } :: atom: 297 31R-HB3 B 2.31 ambi=2 { CB:29.8 } atom: 174 20A-H N 7.02 ambi=1 { N:123.5 } ::sumAvg: 3.98 atom: 190 22P-HD2 D 2.45 ambi=2 { CD:48.9 } atom: 180 21G-H N 8.82 ambi=1 { N:107 } :: atom: 191 22P-HD3 D 3.47 ambi=2 { CD:48.9 } atom: 180 21G-H N 8.82 ambi=1 { N:107 } ::sumAvg: 4.7 atom: 258 28W-HE3 E3 7.31 ambi=1 { CE3:122.1 } atom: 180 21G-H N 8.82 ambi=1 { N:107 } ::sumAvg: 4.86 atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } atom: 180 21G-H N 8.82 ambi=1 { N:107 } :: atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } atom: 180 21G-H N 8.82 ambi=1 { N:107 } ::sumAvg: 4.86 atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } atom: 185 22P-HA A 2.52 ambi=1 { CA:63.2 } :: atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } atom: 185 22P-HA A 2.52 ambi=1 { CA:63.2 } ::sumAvg: 4.385 atom: 185 22P-HA A 2.52 ambi=1 { CA:63.2 } atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } :: atom: 185 22P-HA A 2.52 ambi=1 { CA:63.2 } atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } ::sumAvg: 4.385 atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } atom: 198 23R-HB2 B 1.82 ambi=2 { CB:29.5 } :: atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } atom: 199 23R-HB3 B 2.02 ambi=2 { CB:29.5 } :: atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } atom: 198 23R-HB2 B 1.82 ambi=2 { CB:29.5 } :: atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } atom: 199 23R-HB3 B 2.02 ambi=2 { CB:29.5 } ::sumAvg: 4.32 atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } atom: 200 23R-HG2 G 1.58 ambi=2 { CG:27.1 } :: atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } atom: 201 23R-HG3 G 1.65 ambi=2 { CG:27.1 } :: atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } atom: 200 23R-HG2 G 1.58 ambi=2 { CG:27.1 } :: atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } atom: 201 23R-HG3 G 1.65 ambi=2 { CG:27.1 } ::sumAvg: 4.63 atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } atom: 209 24D-H N 8.17 ambi=1 { N:119.3 } :: atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } atom: 209 24D-H N 8.17 ambi=1 { N:119.3 } ::sumAvg: 4.32 atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } atom: 258 28W-HE3 E3 7.31 ambi=1 { CE3:122.1 } :: atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } atom: 258 28W-HE3 E3 7.31 ambi=1 { CE3:122.1 } ::sumAvg: 4.13 atom: 258 28W-HE3 E3 7.31 ambi=1 { CE3:122.1 } atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } :: atom: 258 28W-HE3 E3 7.31 ambi=1 { CE3:122.1 } atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } ::sumAvg: 4.13 atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } atom: 300 31R-QD D 2.71 ambi=2 {attached_atom is not_assigned} :: atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } atom: 300 31R-QD D 2.71 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.425 atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } :: atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } ::sumAvg: 4.685 atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } :: atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } ::sumAvg: 4.685 atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } atom: 973 88I-HA A 3.78 ambi=1 { CA:64.5 } ::sumAvg: 4.995 atom: 973 88I-HA A 3.78 ambi=1 { CA:64.5 } atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } ::sumAvg: 4.995 atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } atom: 977 88I-HG2 G2 0.98 ambi=1 { CG2:18.1 } :: atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } atom: 977 88I-HG2 G2 0.98 ambi=1 { CG2:18.1 } ::sumAvg: 4.375 atom: 977 88I-HG2 G2 0.98 ambi=1 { CG2:18.1 } atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } :: atom: 977 88I-HG2 G2 0.98 ambi=1 { CG2:18.1 } atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } ::sumAvg: 4.375 atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } :: atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } :: atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } :: atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } ::sumAvg: 4.69 atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } :: atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } :: atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } :: atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } ::sumAvg: 4.69 atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } :: atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } ::sumAvg: 3.86 atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } :: atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } ::sumAvg: 3.86 atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } :: atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } atom: 182 21G-HA3 A 4.82 ambi=2 { CA:44.9 } :: atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } atom: 181 21G-HA2 A 3.95 ambi=2 { CA:44.9 } ::sumAvg: 3.715 atom: 272 29V-HA A 3.36 ambi=1 { CA:66.4 } atom: 282 30Q-HA A 4.09 ambi=1 { CA:58.3 } ::sumAvg: 4.765 atom: 282 30Q-HA A 4.09 ambi=1 { CA:58.3 } atom: 272 29V-HA A 3.36 ambi=1 { CA:66.4 } ::sumAvg: 4.765 atom: 272 29V-HA A 3.36 ambi=1 { CA:66.4 } atom: 294 31R-H N 8.2 ambi=1 { N:121 } ::sumAvg: 4.41 atom: 272 29V-HA A 3.36 ambi=1 { CA:66.4 } atom: 319 33K-H N 7.57 ambi=1 { N:118.4 } ::sumAvg: 4.27 atom: 323 33K-HG2 G 1.45 ambi=2 { CG:25 } atom: 272 29V-HA A 3.36 ambi=1 { CA:66.4 } :: atom: 324 33K-HG3 G 1.73 ambi=2 { CG:25 } atom: 272 29V-HA A 3.36 ambi=1 { CA:66.4 } ::sumAvg: 4.55 atom: 273 29V-HB B 2.2 ambi=1 { CB:31.3 } atom: 282 30Q-HA A 4.09 ambi=1 { CA:58.3 } ::sumAvg: 4.42 atom: 273 29V-HB B 2.2 ambi=1 { CB:31.3 } atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } :: atom: 273 29V-HB B 2.2 ambi=1 { CB:31.3 } atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } ::sumAvg: 4.825 atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } atom: 273 29V-HB B 2.2 ambi=1 { CB:31.3 } :: atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } atom: 273 29V-HB B 2.2 ambi=1 { CB:31.3 } ::sumAvg: 4.825 atom: 273 29V-HB B 2.2 ambi=1 { CB:31.3 } atom: 327 33K-QE E 2.96 ambi=2 { CE:42.2 } ::sumAvg: 4.725 atom: 327 33K-QE E 2.96 ambi=2 { CE:42.2 } atom: 273 29V-HB B 2.2 ambi=1 { CB:31.3 } ::sumAvg: 4.725 atom: 185 22P-HA A 2.52 ambi=1 { CA:63.2 } atom: 197 23R-HA A 4.34 ambi=1 { CA:56.1 } ::sumAvg: 4.81 atom: 197 23R-HA A 4.34 ambi=1 { CA:56.1 } atom: 185 22P-HA A 2.52 ambi=1 { CA:63.2 } ::sumAvg: 4.81 atom: 185 22P-HA A 2.52 ambi=1 { CA:63.2 } atom: 217 25R-HA A 3.99 ambi=1 { CA:58.8 } ::sumAvg: 4.3 atom: 185 22P-HA A 2.52 ambi=1 { CA:63.2 } atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } ::sumAvg: 4.595 atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } atom: 185 22P-HA A 2.52 ambi=1 { CA:63.2 } ::sumAvg: 4.595 atom: 254 28W-HB2 B 3.29 ambi=1 { CB:29.5 } atom: 185 22P-HA A 2.52 ambi=1 { CA:63.2 } :: atom: 255 28W-HB3 B 3.79 ambi=1 { CB:29.5 } atom: 185 22P-HA A 2.52 ambi=1 { CA:63.2 } ::sumAvg: 2.75 atom: 185 22P-HA A 2.52 ambi=1 { CA:63.2 } atom: 257 28W-HE1 E1 9.86 ambi=1 { NE1:125.7 } ::sumAvg: 4.51 atom: 258 28W-HE3 E3 7.31 ambi=1 { CE3:122.1 } atom: 185 22P-HA A 2.52 ambi=1 { CA:63.2 } ::sumAvg: 3.635 atom: 185 22P-HA A 2.52 ambi=1 { CA:63.2 } atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } ::sumAvg: 4.985 atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } atom: 185 22P-HA A 2.52 ambi=1 { CA:63.2 } ::sumAvg: 4.985 atom: 186 22P-HB2 B 1.05 ambi=1 { CB:31.7 } atom: 197 23R-HA A 4.34 ambi=1 { CA:56.1 } ::sumAvg: 4.145 atom: 186 22P-HB2 B 1.05 ambi=1 { CB:31.7 } atom: 200 23R-HG2 G 1.58 ambi=2 { CG:27.1 } :: atom: 186 22P-HB2 B 1.05 ambi=1 { CB:31.7 } atom: 201 23R-HG3 G 1.65 ambi=2 { CG:27.1 } ::sumAvg: 4.345 atom: 187 22P-HB3 B 1.42 ambi=1 { CB:31.7 } atom: 254 28W-HB2 B 3.29 ambi=1 { CB:29.5 } ::sumAvg: 4.92 atom: 254 28W-HB2 B 3.29 ambi=1 { CB:29.5 } atom: 187 22P-HB3 B 1.42 ambi=1 { CB:31.7 } ::sumAvg: 4.92 atom: 187 22P-HB3 B 1.42 ambi=1 { CB:31.7 } atom: 256 28W-HD1 D1 7.34 ambi=1 { CD1:127 } ::sumAvg: 4.905 atom: 187 22P-HB3 B 1.42 ambi=1 { CB:31.7 } atom: 257 28W-HE1 E1 9.86 ambi=1 { NE1:125.7 } ::sumAvg: 4.435 atom: 187 22P-HB3 B 1.42 ambi=1 { CB:31.7 } atom: 258 28W-HE3 E3 7.31 ambi=1 { CE3:122.1 } ::sumAvg: 4.99 atom: 187 22P-HB3 B 1.42 ambi=1 { CB:31.7 } atom: 663 63T-HA A 4.41 ambi=1 { CA:61.7 } ::sumAvg: 4.84 atom: 663 63T-HA A 4.41 ambi=1 { CA:61.7 } atom: 187 22P-HB3 B 1.42 ambi=1 { CB:31.7 } ::sumAvg: 4.84 atom: 188 22P-HG2 G 1.05 ambi=2 { CG:27.2 } atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } :: atom: 189 22P-HG3 G 1.44 ambi=2 { CG:27.2 } atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } ::sumAvg: 4.605 atom: 188 22P-HG2 G 1.05 ambi=2 { CG:27.2 } atom: 261 28W-HH2 H2 7.05 ambi=1 { CH2:122.2 } :: atom: 189 22P-HG3 G 1.44 ambi=2 { CG:27.2 } atom: 261 28W-HH2 H2 7.05 ambi=1 { CH2:122.2 } ::sumAvg: 4.485 atom: 663 63T-HA A 4.41 ambi=1 { CA:61.7 } atom: 188 22P-HG2 G 1.05 ambi=2 { CG:27.2 } :: atom: 663 63T-HA A 4.41 ambi=1 { CA:61.7 } atom: 189 22P-HG3 G 1.44 ambi=2 { CG:27.2 } ::sumAvg: 4.785 atom: 188 22P-HG2 G 1.05 ambi=2 { CG:27.2 } atom: 950 86I-HB B 2.04 ambi=1 { CB:36.4 } :: atom: 189 22P-HG3 G 1.44 ambi=2 { CG:27.2 } atom: 950 86I-HB B 2.04 ambi=1 { CB:36.4 } ::sumAvg: 4.285 atom: 188 22P-HG2 G 1.05 ambi=2 { CG:27.2 } atom: 961 87P-HA A 4.62 ambi=1 { CA:62.1 } :: atom: 189 22P-HG3 G 1.44 ambi=2 { CG:27.2 } atom: 961 87P-HA A 4.62 ambi=1 { CA:62.1 } ::sumAvg: 4.96 atom: 188 22P-HG2 G 1.05 ambi=2 { CG:27.2 } atom: 972 88I-H N 8.69 ambi=1 { N:118.2 } :: atom: 189 22P-HG3 G 1.44 ambi=2 { CG:27.2 } atom: 972 88I-H N 8.69 ambi=1 { N:118.2 } ::sumAvg: 4.96 atom: 190 22P-HD2 D 2.45 ambi=2 { CD:48.9 } atom: 198 23R-HB2 B 1.82 ambi=2 { CB:29.5 } :: atom: 190 22P-HD2 D 2.45 ambi=2 { CD:48.9 } atom: 199 23R-HB3 B 2.02 ambi=2 { CB:29.5 } :: atom: 191 22P-HD3 D 3.47 ambi=2 { CD:48.9 } atom: 198 23R-HB2 B 1.82 ambi=2 { CB:29.5 } :: atom: 191 22P-HD3 D 3.47 ambi=2 { CD:48.9 } atom: 199 23R-HB3 B 2.02 ambi=2 { CB:29.5 } ::sumAvg: 4.76 atom: 190 22P-HD2 D 2.45 ambi=2 { CD:48.9 } atom: 200 23R-HG2 G 1.58 ambi=2 { CG:27.1 } :: atom: 190 22P-HD2 D 2.45 ambi=2 { CD:48.9 } atom: 201 23R-HG3 G 1.65 ambi=2 { CG:27.1 } :: atom: 191 22P-HD3 D 3.47 ambi=2 { CD:48.9 } atom: 200 23R-HG2 G 1.58 ambi=2 { CG:27.1 } :: atom: 191 22P-HD3 D 3.47 ambi=2 { CD:48.9 } atom: 201 23R-HG3 G 1.65 ambi=2 { CG:27.1 } ::sumAvg: 3.93 atom: 200 23R-HG2 G 1.58 ambi=2 { CG:27.1 } atom: 190 22P-HD2 D 2.45 ambi=2 { CD:48.9 } :: atom: 201 23R-HG3 G 1.65 ambi=2 { CG:27.1 } atom: 190 22P-HD2 D 2.45 ambi=2 { CD:48.9 } :: atom: 200 23R-HG2 G 1.58 ambi=2 { CG:27.1 } atom: 191 22P-HD3 D 3.47 ambi=2 { CD:48.9 } :: atom: 201 23R-HG3 G 1.65 ambi=2 { CG:27.1 } atom: 191 22P-HD3 D 3.47 ambi=2 { CD:48.9 } ::sumAvg: 3.93 atom: 190 22P-HD2 D 2.45 ambi=2 { CD:48.9 } atom: 258 28W-HE3 E3 7.31 ambi=1 { CE3:122.1 } :: atom: 191 22P-HD3 D 3.47 ambi=2 { CD:48.9 } atom: 258 28W-HE3 E3 7.31 ambi=1 { CE3:122.1 } ::sumAvg: 4.145 atom: 190 22P-HD2 D 2.45 ambi=2 { CD:48.9 } atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } :: atom: 191 22P-HD3 D 3.47 ambi=2 { CD:48.9 } atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } ::sumAvg: 3.715 atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } atom: 190 22P-HD2 D 2.45 ambi=2 { CD:48.9 } :: atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } atom: 191 22P-HD3 D 3.47 ambi=2 { CD:48.9 } ::sumAvg: 3.715 atom: 190 22P-HD2 D 2.45 ambi=2 { CD:48.9 } atom: 261 28W-HH2 H2 7.05 ambi=1 { CH2:122.2 } :: atom: 191 22P-HD3 D 3.47 ambi=2 { CD:48.9 } atom: 261 28W-HH2 H2 7.05 ambi=1 { CH2:122.2 } ::sumAvg: 4.65 atom: 261 28W-HH2 H2 7.05 ambi=1 { CH2:122.2 } atom: 190 22P-HD2 D 2.45 ambi=2 { CD:48.9 } :: atom: 261 28W-HH2 H2 7.05 ambi=1 { CH2:122.2 } atom: 191 22P-HD3 D 3.47 ambi=2 { CD:48.9 } ::sumAvg: 4.65 atom: 973 88I-HA A 3.78 ambi=1 { CA:64.5 } atom: 190 22P-HD2 D 2.45 ambi=2 { CD:48.9 } ::sumAvg: 3.095 atom: 190 22P-HD2 D 2.45 ambi=2 { CD:48.9 } atom: 977 88I-HG2 G2 0.98 ambi=1 { CG2:18.1 } :: atom: 191 22P-HD3 D 3.47 ambi=2 { CD:48.9 } atom: 977 88I-HG2 G2 0.98 ambi=1 { CG2:18.1 } ::sumAvg: 3.335 atom: 190 22P-HD2 D 2.45 ambi=2 { CD:48.9 } atom: 993 90Y-H N 7.67 ambi=1 { N:128 } :: atom: 191 22P-HD3 D 3.47 ambi=2 { CD:48.9 } atom: 993 90Y-H N 7.67 ambi=1 { N:128 } ::sumAvg: 4.91 atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } atom: 190 22P-HD2 D 2.45 ambi=2 { CD:48.9 } :: atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 191 22P-HD3 D 3.47 ambi=2 { CD:48.9 } ::sumAvg: 3.785 atom: 190 22P-HD2 D 2.45 ambi=2 { CD:48.9 } atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } :: atom: 191 22P-HD3 D 3.47 ambi=2 { CD:48.9 } atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } ::sumAvg: 3.505 atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } atom: 190 22P-HD2 D 2.45 ambi=2 { CD:48.9 } :: atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } atom: 191 22P-HD3 D 3.47 ambi=2 { CD:48.9 } ::sumAvg: 3.505 atom: 254 28W-HB2 B 3.29 ambi=1 { CB:29.5 } atom: 196 23R-H N 8.5 ambi=1 { N:116.8 } ::sumAvg: 4.88 atom: 973 88I-HA A 3.78 ambi=1 { CA:64.5 } atom: 196 23R-H N 8.5 ambi=1 { N:116.8 } ::sumAvg: 4.52 atom: 197 23R-HA A 4.34 ambi=1 { CA:56.1 } atom: 210 24D-HA A 4.9 ambi=1 { CA:55 } ::sumAvg: 4.58 atom: 210 24D-HA A 4.9 ambi=1 { CA:55 } atom: 197 23R-HA A 4.34 ambi=1 { CA:56.1 } ::sumAvg: 4.58 atom: 977 88I-HG2 G2 0.98 ambi=1 { CG2:18.1 } atom: 197 23R-HA A 4.34 ambi=1 { CA:56.1 } ::sumAvg: 4.52 atom: 198 23R-HB2 B 1.82 ambi=2 { CB:29.5 } atom: 210 24D-HA A 4.9 ambi=1 { CA:55 } :: atom: 199 23R-HB3 B 2.02 ambi=2 { CB:29.5 } atom: 210 24D-HA A 4.9 ambi=1 { CA:55 } ::sumAvg: 4.52 atom: 217 25R-HA A 3.99 ambi=1 { CA:58.8 } atom: 209 24D-H N 8.17 ambi=1 { N:119.3 } ::sumAvg: 4.785 atom: 254 28W-HB2 B 3.29 ambi=1 { CB:29.5 } atom: 209 24D-H N 8.17 ambi=1 { N:119.3 } ::sumAvg: 3.95 atom: 210 24D-HA A 4.9 ambi=1 { CA:55 } atom: 217 25R-HA A 3.99 ambi=1 { CA:58.8 } ::sumAvg: 4.405 atom: 217 25R-HA A 3.99 ambi=1 { CA:58.8 } atom: 210 24D-HA A 4.9 ambi=1 { CA:55 } ::sumAvg: 4.405 atom: 218 25R-HB2 B 2 ambi=1 { CB:28.7 } atom: 210 24D-HA A 4.9 ambi=1 { CA:55 } ::sumAvg: 4.52 atom: 210 24D-HA A 4.9 ambi=1 { CA:55 } atom: 229 26E-H N 9.25 ambi=1 { N:121.5 } ::sumAvg: 3.89 atom: 211 24D-HB2 B 3.17 ambi=2 { CB:40.8 } atom: 229 26E-H N 9.25 ambi=1 { N:121.5 } :: atom: 212 24D-HB3 B 3.09 ambi=2 { CB:40.8 } atom: 229 26E-H N 9.25 ambi=1 { N:121.5 } ::sumAvg: 4.765 atom: 211 24D-HB2 B 3.17 ambi=2 { CB:40.8 } atom: 244 27L-HD1 D1 0.91 ambi=2 { CD1:22.8 } :: atom: 211 24D-HB2 B 3.17 ambi=2 { CB:40.8 } atom: 245 27L-HD2 D2 1.01 ambi=2 { CD2:25.2 } :: atom: 212 24D-HB3 B 3.09 ambi=2 { CB:40.8 } atom: 244 27L-HD1 D1 0.91 ambi=2 { CD1:22.8 } :: atom: 212 24D-HB3 B 3.09 ambi=2 { CB:40.8 } atom: 245 27L-HD2 D2 1.01 ambi=2 { CD2:25.2 } ::sumAvg: 3.705 atom: 254 28W-HB2 B 3.29 ambi=1 { CB:29.5 } atom: 217 25R-HA A 3.99 ambi=1 { CA:58.8 } ::sumAvg: 3.47 atom: 217 25R-HA A 3.99 ambi=1 { CA:58.8 } atom: 256 28W-HD1 D1 7.34 ambi=1 { CD1:127 } ::sumAvg: 3.615 atom: 256 28W-HD1 D1 7.34 ambi=1 { CD1:127 } atom: 217 25R-HA A 3.99 ambi=1 { CA:58.8 } ::sumAvg: 3.615 atom: 217 25R-HA A 3.99 ambi=1 { CA:58.8 } atom: 271 29V-H N 7.5 ambi=1 { N:116.1 } ::sumAvg: 3.925 atom: 218 25R-HB2 B 2 ambi=1 { CB:28.7 } atom: 233 26E-QG G 2.42 ambi=2 { CG:36.3 } ::sumAvg: 4.785 atom: 219 25R-HB3 B 2.12 ambi=1 { CB:28.7 } atom: 255 28W-HB3 B 3.79 ambi=1 { CB:29.5 } ::sumAvg: 4.58 atom: 255 28W-HB3 B 3.79 ambi=1 { CB:29.5 } atom: 219 25R-HB3 B 2.12 ambi=1 { CB:28.7 } ::sumAvg: 4.58 atom: 255 28W-HB3 B 3.79 ambi=1 { CB:29.5 } atom: 220 25R-HG2 G 1.72 ambi=2 { CG:27.3 } :: atom: 255 28W-HB3 B 3.79 ambi=1 { CB:29.5 } atom: 221 25R-HG3 G 1.85 ambi=2 { CG:27.3 } ::sumAvg: 4.53 atom: 256 28W-HD1 D1 7.34 ambi=1 { CD1:127 } atom: 220 25R-HG2 G 1.72 ambi=2 { CG:27.3 } :: atom: 256 28W-HD1 D1 7.34 ambi=1 { CD1:127 } atom: 221 25R-HG3 G 1.85 ambi=2 { CG:27.3 } ::sumAvg: 4.39 atom: 222 25R-QD D 3.34 ambi=2 { CD:43.1 } atom: 275 29V-HG2 G2 1.13 ambi=2 { CG2:22.1 } :: atom: 222 25R-QD D 3.34 ambi=2 { CD:43.1 } atom: 274 29V-HG1 G1 0.99 ambi=2 { CG1:21 } ::sumAvg: 4.73 atom: 241 27L-HB2 B 1.46 ambi=1 { CB:42.7 } atom: 229 26E-H N 9.25 ambi=1 { N:121.5 } ::sumAvg: 4.665 atom: 255 28W-HB3 B 3.79 ambi=1 { CB:29.5 } atom: 229 26E-H N 9.25 ambi=1 { N:121.5 } ::sumAvg: 4.8 atom: 275 29V-HG2 G2 1.13 ambi=2 { CG2:22.1 } atom: 229 26E-H N 9.25 ambi=1 { N:121.5 } :: atom: 274 29V-HG1 G1 0.99 ambi=2 { CG1:21 } atom: 229 26E-H N 9.25 ambi=1 { N:121.5 } ::sumAvg: 4.91 atom: 230 26E-HA A 4.24 ambi=1 { CA:59.6 } atom: 281 30Q-H N 7.16 ambi=1 { N:118.6 } ::sumAvg: 4.68 atom: 231 26E-QB B 2.16 ambi=2 { CB:28.8 } atom: 240 27L-HA A 4.34 ambi=1 { CA:56.6 } ::sumAvg: 4.07 atom: 231 26E-QB B 2.16 ambi=2 { CB:28.8 } atom: 241 27L-HB2 B 1.46 ambi=1 { CB:42.7 } ::sumAvg: 4.09 atom: 241 27L-HB2 B 1.46 ambi=1 { CB:42.7 } atom: 231 26E-QB B 2.16 ambi=2 { CB:28.8 } ::sumAvg: 4.09 atom: 244 27L-HD1 D1 0.91 ambi=2 { CD1:22.8 } atom: 231 26E-QB B 2.16 ambi=2 { CB:28.8 } :: atom: 245 27L-HD2 D2 1.01 ambi=2 { CD2:25.2 } atom: 231 26E-QB B 2.16 ambi=2 { CB:28.8 } ::sumAvg: 3.495 atom: 275 29V-HG2 G2 1.13 ambi=2 { CG2:22.1 } atom: 233 26E-QG G 2.42 ambi=2 { CG:36.3 } :: atom: 274 29V-HG1 G1 0.99 ambi=2 { CG1:21 } atom: 233 26E-QG G 2.42 ambi=2 { CG:36.3 } ::sumAvg: 4.94 atom: 240 27L-HA A 4.34 ambi=1 { CA:56.6 } atom: 294 31R-H N 8.2 ambi=1 { N:121 } ::sumAvg: 4.035 atom: 242 27L-HB3 B 1.81 ambi=1 { CB:42.7 } atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } ::sumAvg: 4.12 atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } atom: 242 27L-HB3 B 1.81 ambi=1 { CB:42.7 } ::sumAvg: 4.12 atom: 242 27L-HB3 B 1.81 ambi=1 { CB:42.7 } atom: 254 28W-HB2 B 3.29 ambi=1 { CB:29.5 } ::sumAvg: 4.875 atom: 254 28W-HB2 B 3.29 ambi=1 { CB:29.5 } atom: 242 27L-HB3 B 1.81 ambi=1 { CB:42.7 } ::sumAvg: 4.875 atom: 242 27L-HB3 B 1.81 ambi=1 { CB:42.7 } atom: 297 31R-HB3 B 2.31 ambi=2 { CB:29.8 } ::sumAvg: 4.765 atom: 243 27L-HG G 1.77 ambi=1 { CG:27 } atom: 283 30Q-QB B 2.23 ambi=2 { CB:28 } ::sumAvg: 4.5 atom: 283 30Q-QB B 2.23 ambi=2 { CB:28 } atom: 243 27L-HG G 1.77 ambi=1 { CG:27 } ::sumAvg: 4.5 atom: 273 29V-HB B 2.2 ambi=1 { CB:31.3 } atom: 252 28W-H N 8.01 ambi=1 { N:121.6 } ::sumAvg: 4.76 atom: 256 28W-HD1 D1 7.34 ambi=1 { CD1:127 } atom: 252 28W-H N 8.01 ambi=1 { N:121.6 } ::sumAvg: 4.86 atom: 258 28W-HE3 E3 7.31 ambi=1 { CE3:122.1 } atom: 252 28W-H N 8.01 ambi=1 { N:121.6 } ::sumAvg: 4.705 atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } atom: 272 29V-HA A 3.36 ambi=1 { CA:66.4 } ::sumAvg: 4.78 atom: 272 29V-HA A 3.36 ambi=1 { CA:66.4 } atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } ::sumAvg: 4.78 atom: 256 28W-HD1 D1 7.34 ambi=1 { CD1:127 } atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } ::sumAvg: 4.615 atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } ::sumAvg: 4.605 atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } atom: 296 31R-HB2 B 1.78 ambi=2 { CB:29.8 } :: atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } atom: 297 31R-HB3 B 2.31 ambi=2 { CB:29.8 } ::sumAvg: 3.165 atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } atom: 281 30Q-H N 7.16 ambi=1 { N:118.6 } ::sumAvg: 4.44 atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } ::sumAvg: 3.555 atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } ::sumAvg: 3.555 atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } atom: 306 32L-H N 8.86 ambi=1 { N:120.3 } ::sumAvg: 4.1 atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } atom: 310 32L-HG G 0.96 ambi=1 { CG:26 } ::sumAvg: 4.2 atom: 310 32L-HG G 0.96 ambi=1 { CG:26 } atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } ::sumAvg: 4.2 atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } :: atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } ::sumAvg: 4.67 atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } :: atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } atom: 253 28W-HA A 4.72 ambi=1 { CA:58.7 } ::sumAvg: 4.67 atom: 255 28W-HB3 B 3.79 ambi=1 { CB:29.5 } atom: 272 29V-HA A 3.36 ambi=1 { CA:66.4 } ::sumAvg: 4.4 atom: 272 29V-HA A 3.36 ambi=1 { CA:66.4 } atom: 255 28W-HB3 B 3.79 ambi=1 { CB:29.5 } ::sumAvg: 4.4 atom: 255 28W-HB3 B 3.79 ambi=1 { CB:29.5 } atom: 273 29V-HB B 2.2 ambi=1 { CB:31.3 } ::sumAvg: 4.89 atom: 255 28W-HB3 B 3.79 ambi=1 { CB:29.5 } atom: 257 28W-HE1 E1 9.86 ambi=1 { NE1:125.7 } ::sumAvg: 4.745 atom: 254 28W-HB2 B 3.29 ambi=1 { CB:29.5 } atom: 275 29V-HG2 G2 1.13 ambi=2 { CG2:22.1 } :: atom: 254 28W-HB2 B 3.29 ambi=1 { CB:29.5 } atom: 274 29V-HG1 G1 0.99 ambi=2 { CG1:21 } :: atom: 255 28W-HB3 B 3.79 ambi=1 { CB:29.5 } atom: 275 29V-HG2 G2 1.13 ambi=2 { CG2:22.1 } :: atom: 255 28W-HB3 B 3.79 ambi=1 { CB:29.5 } atom: 274 29V-HG1 G1 0.99 ambi=2 { CG1:21 } ::sumAvg: 3.355 atom: 255 28W-HB3 B 3.79 ambi=1 { CB:29.5 } atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } :: atom: 255 28W-HB3 B 3.79 ambi=1 { CB:29.5 } atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } ::sumAvg: 4.405 atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } atom: 255 28W-HB3 B 3.79 ambi=1 { CB:29.5 } :: atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } atom: 255 28W-HB3 B 3.79 ambi=1 { CB:29.5 } ::sumAvg: 4.405 atom: 256 28W-HD1 D1 7.34 ambi=1 { CD1:127 } atom: 272 29V-HA A 3.36 ambi=1 { CA:66.4 } ::sumAvg: 4.225 atom: 272 29V-HA A 3.36 ambi=1 { CA:66.4 } atom: 256 28W-HD1 D1 7.34 ambi=1 { CD1:127 } ::sumAvg: 4.225 atom: 275 29V-HG2 G2 1.13 ambi=2 { CG2:22.1 } atom: 256 28W-HD1 D1 7.34 ambi=1 { CD1:127 } :: atom: 274 29V-HG1 G1 0.99 ambi=2 { CG1:21 } atom: 256 28W-HD1 D1 7.34 ambi=1 { CD1:127 } ::sumAvg: 3.185 atom: 256 28W-HD1 D1 7.34 ambi=1 { CD1:127 } atom: 310 32L-HG G 0.96 ambi=1 { CG:26 } ::sumAvg: 4.465 atom: 256 28W-HD1 D1 7.34 ambi=1 { CD1:127 } atom: 648 61E-HA A 4.19 ambi=1 { CA:58 } ::sumAvg: 4.9 atom: 648 61E-HA A 4.19 ambi=1 { CA:58 } atom: 256 28W-HD1 D1 7.34 ambi=1 { CD1:127 } ::sumAvg: 4.9 atom: 261 28W-HH2 H2 7.05 ambi=1 { CH2:122.2 } atom: 257 28W-HE1 E1 9.86 ambi=1 { NE1:125.7 } ::sumAvg: 4.975 atom: 275 29V-HG2 G2 1.13 ambi=2 { CG2:22.1 } atom: 257 28W-HE1 E1 9.86 ambi=1 { NE1:125.7 } :: atom: 274 29V-HG1 G1 0.99 ambi=2 { CG1:21 } atom: 257 28W-HE1 E1 9.86 ambi=1 { NE1:125.7 } ::sumAvg: 4.95 atom: 310 32L-HG G 0.96 ambi=1 { CG:26 } atom: 257 28W-HE1 E1 9.86 ambi=1 { NE1:125.7 } ::sumAvg: 4.155 atom: 648 61E-HA A 4.19 ambi=1 { CA:58 } atom: 257 28W-HE1 E1 9.86 ambi=1 { NE1:125.7 } ::sumAvg: 4.075 atom: 649 61E-HB2 B 2.1 ambi=2 { CB:29.6 } atom: 257 28W-HE1 E1 9.86 ambi=1 { NE1:125.7 } :: atom: 650 61E-HB3 B 2.23 ambi=2 { CB:29.6 } atom: 257 28W-HE1 E1 9.86 ambi=1 { NE1:125.7 } ::sumAvg: 3.85 atom: 658 62G-HA2 A 4.53 ambi=2 { CA:46.2 } atom: 257 28W-HE1 E1 9.86 ambi=1 { NE1:125.7 } :: atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } atom: 257 28W-HE1 E1 9.86 ambi=1 { NE1:125.7 } ::sumAvg: 2.895 atom: 663 63T-HA A 4.41 ambi=1 { CA:61.7 } atom: 257 28W-HE1 E1 9.86 ambi=1 { NE1:125.7 } ::sumAvg: 4.905 atom: 296 31R-HB2 B 1.78 ambi=2 { CB:29.8 } atom: 258 28W-HE3 E3 7.31 ambi=1 { CE3:122.1 } :: atom: 297 31R-HB3 B 2.31 ambi=2 { CB:29.8 } atom: 258 28W-HE3 E3 7.31 ambi=1 { CE3:122.1 } ::sumAvg: 3.825 atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } atom: 258 28W-HE3 E3 7.31 ambi=1 { CE3:122.1 } ::sumAvg: 4.17 atom: 258 28W-HE3 E3 7.31 ambi=1 { CE3:122.1 } atom: 300 31R-QD D 2.71 ambi=2 {attached_atom is not_assigned} ::sumAvg: 3.865 atom: 258 28W-HE3 E3 7.31 ambi=1 { CE3:122.1 } atom: 310 32L-HG G 0.96 ambi=1 { CG:26 } ::sumAvg: 4.55 atom: 258 28W-HE3 E3 7.31 ambi=1 { CE3:122.1 } atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } :: atom: 258 28W-HE3 E3 7.31 ambi=1 { CE3:122.1 } atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } ::sumAvg: 4.98 atom: 258 28W-HE3 E3 7.31 ambi=1 { CE3:122.1 } atom: 259 28W-HZ2 Z2 7.92 ambi=1 { CZ2:114.2 } ::sumAvg: 4.985 atom: 259 28W-HZ2 Z2 7.92 ambi=1 { CZ2:114.2 } atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } ::sumAvg: 4.295 atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } atom: 259 28W-HZ2 Z2 7.92 ambi=1 { CZ2:114.2 } ::sumAvg: 4.295 atom: 259 28W-HZ2 Z2 7.92 ambi=1 { CZ2:114.2 } atom: 310 32L-HG G 0.96 ambi=1 { CG:26 } ::sumAvg: 4.49 atom: 310 32L-HG G 0.96 ambi=1 { CG:26 } atom: 259 28W-HZ2 Z2 7.92 ambi=1 { CZ2:114.2 } ::sumAvg: 4.49 atom: 658 62G-HA2 A 4.53 ambi=2 { CA:46.2 } atom: 259 28W-HZ2 Z2 7.92 ambi=1 { CZ2:114.2 } :: atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } atom: 259 28W-HZ2 Z2 7.92 ambi=1 { CZ2:114.2 } ::sumAvg: 3.075 atom: 259 28W-HZ2 Z2 7.92 ambi=1 { CZ2:114.2 } atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } ::sumAvg: 4.415 atom: 259 28W-HZ2 Z2 7.92 ambi=1 { CZ2:114.2 } atom: 688 65W-HE1 E1 9.32 ambi=1 { NE1:127 } ::sumAvg: 3.56 atom: 690 65W-HZ2 Z2 7.02 ambi=1 { CZ2:113.1 } atom: 259 28W-HZ2 Z2 7.92 ambi=1 { CZ2:114.2 } ::sumAvg: 4.515 atom: 259 28W-HZ2 Z2 7.92 ambi=1 { CZ2:114.2 } atom: 950 86I-HB B 2.04 ambi=1 { CB:36.4 } ::sumAvg: 4.03 atom: 950 86I-HB B 2.04 ambi=1 { CB:36.4 } atom: 259 28W-HZ2 Z2 7.92 ambi=1 { CZ2:114.2 } ::sumAvg: 4.03 atom: 951 86I-HG12 G1 1.78 ambi=2 { CG1:26.8 } atom: 259 28W-HZ2 Z2 7.92 ambi=1 { CZ2:114.2 } :: atom: 952 86I-HG13 G1 2.13 ambi=2 { CG1:26.8 } atom: 259 28W-HZ2 Z2 7.92 ambi=1 { CZ2:114.2 } ::sumAvg: 3.495 atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } atom: 296 31R-HB2 B 1.78 ambi=2 { CB:29.8 } :: atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } atom: 297 31R-HB3 B 2.31 ambi=2 { CB:29.8 } ::sumAvg: 4.71 atom: 296 31R-HB2 B 1.78 ambi=2 { CB:29.8 } atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } :: atom: 297 31R-HB3 B 2.31 ambi=2 { CB:29.8 } atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } ::sumAvg: 4.71 atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } ::sumAvg: 4.13 atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } :: atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } ::sumAvg: 4.595 atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } :: atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } ::sumAvg: 4.595 atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } :: atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } ::sumAvg: 4.755 atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } :: atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } ::sumAvg: 4.755 atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } :: atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } atom: 260 28W-HZ3 Z3 7.51 ambi=1 { CZ3:120.3 } ::sumAvg: 4.755 atom: 261 28W-HH2 H2 7.05 ambi=1 { CH2:122.2 } atom: 663 63T-HA A 4.41 ambi=1 { CA:61.7 } ::sumAvg: 4.38 atom: 665 63T-HG2 G2 1.1 ambi=1 { CG2:23 } atom: 261 28W-HH2 H2 7.05 ambi=1 { CH2:122.2 } ::sumAvg: 4.815 atom: 261 28W-HH2 H2 7.05 ambi=1 { CH2:122.2 } atom: 688 65W-HE1 E1 9.32 ambi=1 { NE1:127 } ::sumAvg: 4.4 atom: 261 28W-HH2 H2 7.05 ambi=1 { CH2:122.2 } atom: 950 86I-HB B 2.04 ambi=1 { CB:36.4 } ::sumAvg: 3.61 atom: 951 86I-HG12 G1 1.78 ambi=2 { CG1:26.8 } atom: 261 28W-HH2 H2 7.05 ambi=1 { CH2:122.2 } :: atom: 952 86I-HG13 G1 2.13 ambi=2 { CG1:26.8 } atom: 261 28W-HH2 H2 7.05 ambi=1 { CH2:122.2 } ::sumAvg: 3.52 atom: 261 28W-HH2 H2 7.05 ambi=1 { CH2:122.2 } atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } :: atom: 261 28W-HH2 H2 7.05 ambi=1 { CH2:122.2 } atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } ::sumAvg: 4.6 atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 261 28W-HH2 H2 7.05 ambi=1 { CH2:122.2 } :: atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } atom: 261 28W-HH2 H2 7.05 ambi=1 { CH2:122.2 } ::sumAvg: 4.6 atom: 283 30Q-QB B 2.23 ambi=2 { CB:28 } atom: 271 29V-H N 7.5 ambi=1 { N:116.1 } ::sumAvg: 4.445 atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } atom: 271 29V-H N 7.5 ambi=1 { N:116.1 } :: atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } atom: 271 29V-H N 7.5 ambi=1 { N:116.1 } ::sumAvg: 4.17 atom: 275 29V-HG2 G2 1.13 ambi=2 { CG2:22.1 } atom: 285 30Q-QG G 2.45 ambi=2 { CG:33.3 } :: atom: 274 29V-HG1 G1 0.99 ambi=2 { CG1:21 } atom: 285 30Q-QG G 2.45 ambi=2 { CG:33.3 } ::sumAvg: 4.3 atom: 275 29V-HG2 G2 1.13 ambi=2 { CG2:22.1 } atom: 306 32L-H N 8.86 ambi=1 { N:120.3 } :: atom: 274 29V-HG1 G1 0.99 ambi=2 { CG1:21 } atom: 306 32L-H N 8.86 ambi=1 { N:120.3 } ::sumAvg: 4.59 atom: 274 29V-HG1 G1 0.99 ambi=2 { CG1:21 } atom: 309 32L-HB3 B 1.42 ambi=2 { CB:41.3 } ::sumAvg: 3.65 atom: 275 29V-HG2 G2 1.13 ambi=2 { CG2:22.1 } atom: 319 33K-H N 7.57 ambi=1 { N:118.4 } :: atom: 274 29V-HG1 G1 0.99 ambi=2 { CG1:21 } atom: 319 33K-H N 7.57 ambi=1 { N:118.4 } ::sumAvg: 4.05 atom: 324 33K-HG3 G 1.73 ambi=2 { CG:25 } atom: 275 29V-HG2 G2 1.13 ambi=2 { CG2:22.1 } :: atom: 323 33K-HG2 G 1.45 ambi=2 { CG:25 } atom: 274 29V-HG1 G1 0.99 ambi=2 { CG1:21 } :: atom: 324 33K-HG3 G 1.73 ambi=2 { CG:25 } atom: 274 29V-HG1 G1 0.99 ambi=2 { CG1:21 } ::sumAvg: 3.035 atom: 295 31R-HA A 4.12 ambi=1 { CA:58.1 } atom: 300 31R-QD D 2.71 ambi=2 {attached_atom is not_assigned} ::sumAvg: 3.375 atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } atom: 295 31R-HA A 4.12 ambi=1 { CA:58.1 } ::sumAvg: 4.805 atom: 295 31R-HA A 4.12 ambi=1 { CA:58.1 } atom: 345 35E-H N 8.98 ambi=1 { N:120.6 } ::sumAvg: 4.06 atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } atom: 296 31R-HB2 B 1.78 ambi=2 { CB:29.8 } :: atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } atom: 297 31R-HB3 B 2.31 ambi=2 { CB:29.8 } ::sumAvg: 4.54 atom: 310 32L-HG G 0.96 ambi=1 { CG:26 } atom: 296 31R-HB2 B 1.78 ambi=2 { CB:29.8 } :: atom: 310 32L-HG G 0.96 ambi=1 { CG:26 } atom: 297 31R-HB3 B 2.31 ambi=2 { CB:29.8 } ::sumAvg: 4.48 atom: 296 31R-HB2 B 1.78 ambi=2 { CB:29.8 } atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } :: atom: 296 31R-HB2 B 1.78 ambi=2 { CB:29.8 } atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } :: atom: 297 31R-HB3 B 2.31 ambi=2 { CB:29.8 } atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } :: atom: 297 31R-HB3 B 2.31 ambi=2 { CB:29.8 } atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } ::sumAvg: 4.94 atom: 337 34E-HB2 B 2.27 ambi=1 { CB:29.2 } atom: 296 31R-HB2 B 1.78 ambi=2 { CB:29.8 } ::sumAvg: 4.685 atom: 296 31R-HB2 B 1.78 ambi=2 { CB:29.8 } atom: 281 30Q-H N 7.16 ambi=1 { N:118.6 } :: atom: 297 31R-HB3 B 2.31 ambi=2 { CB:29.8 } atom: 281 30Q-H N 7.16 ambi=1 { N:118.6 } ::sumAvg: 4.86 atom: 308 32L-HB2 B 0.97 ambi=2 { CB:41.3 } atom: 281 30Q-H N 7.16 ambi=1 { N:118.6 } :: atom: 309 32L-HB3 B 1.42 ambi=2 { CB:41.3 } atom: 281 30Q-H N 7.16 ambi=1 { N:118.6 } ::sumAvg: 4.87 atom: 325 33K-QD D 1.74 ambi=2 { CD:29.5 } atom: 281 30Q-H N 7.16 ambi=1 { N:118.6 } ::sumAvg: 4.945 atom: 308 32L-HB2 B 0.97 ambi=2 { CB:41.3 } atom: 282 30Q-HA A 4.09 ambi=1 { CA:58.3 } :: atom: 309 32L-HB3 B 1.42 ambi=2 { CB:41.3 } atom: 282 30Q-HA A 4.09 ambi=1 { CA:58.3 } ::sumAvg: 4.92 atom: 327 33K-QE E 2.96 ambi=2 { CE:42.2 } atom: 282 30Q-HA A 4.09 ambi=1 { CA:58.3 } ::sumAvg: 4.195 atom: 283 30Q-QB B 2.23 ambi=2 { CB:28 } atom: 296 31R-HB2 B 1.78 ambi=2 { CB:29.8 } ::sumAvg: 4.315 atom: 296 31R-HB2 B 1.78 ambi=2 { CB:29.8 } atom: 283 30Q-QB B 2.23 ambi=2 { CB:28 } ::sumAvg: 4.315 atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } atom: 283 30Q-QB B 2.23 ambi=2 { CB:28 } ::sumAvg: 4.57 atom: 283 30Q-QB B 2.23 ambi=2 { CB:28 } atom: 319 33K-H N 7.57 ambi=1 { N:118.4 } ::sumAvg: 4.925 atom: 283 30Q-QB B 2.23 ambi=2 { CB:28 } atom: 325 33K-QD D 1.74 ambi=2 { CD:29.5 } ::sumAvg: 4.415 atom: 325 33K-QD D 1.74 ambi=2 { CD:29.5 } atom: 283 30Q-QB B 2.23 ambi=2 { CB:28 } ::sumAvg: 4.415 atom: 283 30Q-QB B 2.23 ambi=2 { CB:28 } atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } ::sumAvg: 4.4 atom: 325 33K-QD D 1.74 ambi=2 { CD:29.5 } atom: 285 30Q-QG G 2.45 ambi=2 { CG:33.3 } ::sumAvg: 3.725 atom: 310 32L-HG G 0.96 ambi=1 { CG:26 } atom: 294 31R-H N 8.2 ambi=1 { N:121 } ::sumAvg: 4.615 atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } atom: 306 32L-H N 8.86 ambi=1 { N:120.3 } ::sumAvg: 3.335 atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } atom: 335 34E-H N 7.68 ambi=1 { N:119.4 } ::sumAvg: 4.91 atom: 337 34E-HB2 B 2.27 ambi=1 { CB:29.2 } atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } ::sumAvg: 3.925 atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } atom: 345 35E-H N 8.98 ambi=1 { N:120.6 } ::sumAvg: 4.575 atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } atom: 347 35E-HB2 B 2.22 ambi=1 { CB:28.4 } ::sumAvg: 4.74 atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } :: atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } ::sumAvg: 4.905 atom: 298 31R-QG G 1.47 ambi=2 { CG:26.9 } atom: 1000 90Y-HE2 E2 7.33 ambi=1 { CE2:116 } ::sumAvg: 4.11 atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } atom: 300 31R-QD D 2.71 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.765 atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } atom: 300 31R-QD D 2.71 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.775 atom: 1000 90Y-HE2 E2 7.33 ambi=1 { CE2:116 } atom: 300 31R-QD D 2.71 ambi=2 {attached_atom is not_assigned} ::sumAvg: 3.915 atom: 1011 91P-HG2 G 1.5 ambi=2 { CG:25.1 } atom: 300 31R-QD D 2.71 ambi=2 {attached_atom is not_assigned} :: atom: 1012 91P-HG3 G 1.77 ambi=2 { CG:25.1 } atom: 300 31R-QD D 2.71 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.425 atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } atom: 300 31R-QD D 2.71 ambi=2 {attached_atom is not_assigned} :: atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } atom: 300 31R-QD D 2.71 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.34 atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } atom: 320 33K-HA A 4.16 ambi=1 { CA:60.1 } ::sumAvg: 4.78 atom: 320 33K-HA A 4.16 ambi=1 { CA:60.1 } atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } ::sumAvg: 4.78 atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } atom: 335 34E-H N 7.68 ambi=1 { N:119.4 } ::sumAvg: 4.45 atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } atom: 347 35E-HB2 B 2.22 ambi=1 { CB:28.4 } :: atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } ::sumAvg: 3.27 atom: 347 35E-HB2 B 2.22 ambi=1 { CB:28.4 } atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } :: atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } ::sumAvg: 3.27 atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } :: atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } ::sumAvg: 3.515 atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } ::sumAvg: 4.58 atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } ::sumAvg: 4.58 atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } atom: 361 36Y-QE E 6.81 ambi=3 { CE1:117.8 } ::sumAvg: 4.42 atom: 361 36Y-QE E 6.81 ambi=3 { CE1:117.8 } atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } ::sumAvg: 4.42 atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } atom: 690 65W-HZ2 Z2 7.02 ambi=1 { CZ2:113.1 } ::sumAvg: 4.585 atom: 690 65W-HZ2 Z2 7.02 ambi=1 { CZ2:113.1 } atom: 307 32L-HA A 3.56 ambi=1 { CA:57.5 } ::sumAvg: 4.585 atom: 308 32L-HB2 B 0.97 ambi=2 { CB:41.3 } atom: 320 33K-HA A 4.16 ambi=1 { CA:60.1 } :: atom: 309 32L-HB3 B 1.42 ambi=2 { CB:41.3 } atom: 320 33K-HA A 4.16 ambi=1 { CA:60.1 } ::sumAvg: 4.25 atom: 308 32L-HB2 B 0.97 ambi=2 { CB:41.3 } atom: 321 33K-QB B 2.06 ambi=2 { CB:32 } :: atom: 309 32L-HB3 B 1.42 ambi=2 { CB:41.3 } atom: 321 33K-QB B 2.06 ambi=2 { CB:32 } ::sumAvg: 4.625 atom: 323 33K-HG2 G 1.45 ambi=2 { CG:25 } atom: 308 32L-HB2 B 0.97 ambi=2 { CB:41.3 } :: atom: 324 33K-HG3 G 1.73 ambi=2 { CG:25 } atom: 308 32L-HB2 B 0.97 ambi=2 { CB:41.3 } ::sumAvg: 3.715 atom: 308 32L-HB2 B 0.97 ambi=2 { CB:41.3 } atom: 335 34E-H N 7.68 ambi=1 { N:119.4 } :: atom: 309 32L-HB3 B 1.42 ambi=2 { CB:41.3 } atom: 335 34E-H N 7.68 ambi=1 { N:119.4 } ::sumAvg: 4.935 atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } :: atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } :: atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } :: atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } ::sumAvg: 3.54 atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } atom: 617 58S-HB3 B 2.44 ambi=1 { CB:66.8 } :: atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } atom: 617 58S-HB3 B 2.44 ambi=1 { CB:66.8 } ::sumAvg: 4.755 atom: 617 58S-HB3 B 2.44 ambi=1 { CB:66.8 } atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } :: atom: 617 58S-HB3 B 2.44 ambi=1 { CB:66.8 } atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } ::sumAvg: 4.755 atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } atom: 692 65W-HH2 H2 6.46 ambi=1 { CH2:123.7 } :: atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } atom: 692 65W-HH2 H2 6.46 ambi=1 { CH2:123.7 } ::sumAvg: 3.38 atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 311 32L-HD1 D1 0.84 ambi=2 { CD1:24.3 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } :: atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 312 32L-HD2 D2 0.86 ambi=2 { CD2:24.3 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } ::sumAvg: 4.46 atom: 384 38S-HA A 4.12 ambi=1 { CA:62.8 } atom: 404 40I-H N 8.86 ambi=1 { N:118.5 } ::sumAvg: 4.49 atom: 384 38S-HA A 4.12 ambi=1 { CA:62.8 } atom: 417 41R-H N 7.64 ambi=1 { N:119 } ::sumAvg: 3.48 atom: 384 38S-HA A 4.12 ambi=1 { CA:62.8 } atom: 430 42Y-H N 8.25 ambi=1 { N:119.9 } ::sumAvg: 4.2 atom: 384 38S-HA A 4.12 ambi=1 { CA:62.8 } atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } ::sumAvg: 4.865 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 384 38S-HA A 4.12 ambi=1 { CA:62.8 } ::sumAvg: 4.865 atom: 393 39L-HB2 B 1.79 ambi=1 { CB:42.7 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } ::sumAvg: 4.5 atom: 395 39L-HG G 1.91 ambi=1 { CG:27.4 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } ::sumAvg: 3.53 atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } :: atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } ::sumAvg: 4.285 atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } atom: 404 40I-H N 8.86 ambi=1 { N:118.5 } ::sumAvg: 4.775 atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } atom: 417 41R-H N 7.64 ambi=1 { N:119 } ::sumAvg: 4.885 atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } ::sumAvg: 4.82 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } ::sumAvg: 4.82 atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } ::sumAvg: 4.565 atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } ::sumAvg: 4.565 atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } ::sumAvg: 4.19 atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } ::sumAvg: 4.64 atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } ::sumAvg: 4.64 atom: 337 34E-HB2 B 2.27 ambi=1 { CB:29.2 } atom: 319 33K-H N 7.57 ambi=1 { N:118.4 } ::sumAvg: 4.745 atom: 339 34E-HG2 G 2.4 ambi=2 { CG:35.5 } atom: 319 33K-H N 7.57 ambi=1 { N:118.4 } :: atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } atom: 319 33K-H N 7.57 ambi=1 { N:118.4 } ::sumAvg: 4.665 atom: 361 36Y-QE E 6.81 ambi=3 { CE1:117.8 } atom: 319 33K-H N 7.57 ambi=1 { N:118.4 } ::sumAvg: 4.95 atom: 320 33K-HA A 4.16 ambi=1 { CA:60.1 } atom: 327 33K-QE E 2.96 ambi=2 { CE:42.2 } ::sumAvg: 4.57 atom: 320 33K-HA A 4.16 ambi=1 { CA:60.1 } atom: 345 35E-H N 8.98 ambi=1 { N:120.6 } ::sumAvg: 4.515 atom: 320 33K-HA A 4.16 ambi=1 { CA:60.1 } atom: 361 36Y-QE E 6.81 ambi=3 { CE1:117.8 } ::sumAvg: 4.16 atom: 320 33K-HA A 4.16 ambi=1 { CA:60.1 } atom: 370 37Q-H N 8.21 ambi=1 { N:117.4 } ::sumAvg: 4.335 atom: 320 33K-HA A 4.16 ambi=1 { CA:60.1 } atom: 374 37Q-HG2 G 2.54 ambi=2 { CG:34.2 } :: atom: 320 33K-HA A 4.16 ambi=1 { CA:60.1 } atom: 375 37Q-HG3 G 2.64 ambi=2 { CG:34.2 } ::sumAvg: 4.455 atom: 321 33K-QB B 2.06 ambi=2 { CB:32 } atom: 340 34E-HG3 G 2.69 ambi=2 { CG:35.5 } ::sumAvg: 3.45 atom: 321 33K-QB B 2.06 ambi=2 { CB:32 } atom: 345 35E-H N 8.98 ambi=1 { N:120.6 } ::sumAvg: 4.715 atom: 321 33K-QB B 2.06 ambi=2 { CB:32 } atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } ::sumAvg: 4.39 atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } atom: 321 33K-QB B 2.06 ambi=2 { CB:32 } ::sumAvg: 4.39 atom: 321 33K-QB B 2.06 ambi=2 { CB:32 } atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } ::sumAvg: 4.46 atom: 321 33K-QB B 2.06 ambi=2 { CB:32 } atom: 370 37Q-H N 8.21 ambi=1 { N:117.4 } ::sumAvg: 4.98 atom: 321 33K-QB B 2.06 ambi=2 { CB:32 } atom: 374 37Q-HG2 G 2.54 ambi=2 { CG:34.2 } :: atom: 321 33K-QB B 2.06 ambi=2 { CB:32 } atom: 375 37Q-HG3 G 2.64 ambi=2 { CG:34.2 } ::sumAvg: 4.15 atom: 374 37Q-HG2 G 2.54 ambi=2 { CG:34.2 } atom: 321 33K-QB B 2.06 ambi=2 { CB:32 } :: atom: 375 37Q-HG3 G 2.64 ambi=2 { CG:34.2 } atom: 321 33K-QB B 2.06 ambi=2 { CB:32 } ::sumAvg: 4.15 atom: 323 33K-HG2 G 1.45 ambi=2 { CG:25 } atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } :: atom: 324 33K-HG3 G 1.73 ambi=2 { CG:25 } atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } ::sumAvg: 4.785 atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } atom: 323 33K-HG2 G 1.45 ambi=2 { CG:25 } :: atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } atom: 324 33K-HG3 G 1.73 ambi=2 { CG:25 } ::sumAvg: 4.785 atom: 323 33K-HG2 G 1.45 ambi=2 { CG:25 } atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } :: atom: 324 33K-HG3 G 1.73 ambi=2 { CG:25 } atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } ::sumAvg: 3.75 atom: 323 33K-HG2 G 1.45 ambi=2 { CG:25 } atom: 361 36Y-QE E 6.81 ambi=3 { CE1:117.8 } :: atom: 324 33K-HG3 G 1.73 ambi=2 { CG:25 } atom: 361 36Y-QE E 6.81 ambi=3 { CE1:117.8 } ::sumAvg: 4.695 atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } atom: 335 34E-H N 7.68 ambi=1 { N:119.4 } ::sumAvg: 4.995 atom: 337 34E-HB2 B 2.27 ambi=1 { CB:29.2 } atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } :: atom: 338 34E-HB3 B 2.71 ambi=1 { CB:29.2 } atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } ::sumAvg: 4.275 atom: 337 34E-HB2 B 2.27 ambi=1 { CB:29.2 } atom: 355 36Y-H N 8.83 ambi=1 { N:118.4 } ::sumAvg: 4.975 atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } atom: 345 35E-H N 8.98 ambi=1 { N:120.6 } ::sumAvg: 4.93 atom: 347 35E-HB2 B 2.22 ambi=1 { CB:28.4 } atom: 345 35E-H N 8.98 ambi=1 { N:120.6 } :: atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } atom: 345 35E-H N 8.98 ambi=1 { N:120.6 } ::sumAvg: 2.965 atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } atom: 345 35E-H N 8.98 ambi=1 { N:120.6 } ::sumAvg: 4.69 atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } atom: 370 37Q-H N 8.21 ambi=1 { N:117.4 } ::sumAvg: 4.3 atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } atom: 387 38S-HG G 5.22 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.295 atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } atom: 391 39L-H N 8.42 ambi=1 { N:120.8 } ::sumAvg: 3.885 atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } atom: 395 39L-HG G 1.91 ambi=1 { CG:27.4 } ::sumAvg: 4.14 atom: 395 39L-HG G 1.91 ambi=1 { CG:27.4 } atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } ::sumAvg: 4.14 atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } :: atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } ::sumAvg: 4.36 atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } :: atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } ::sumAvg: 4.36 atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } ::sumAvg: 4.25 atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } ::sumAvg: 4.25 atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } atom: 1454 134L-H N 10.28 ambi=1 { N:125 } ::sumAvg: 4.425 atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } ::sumAvg: 4.86 atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } ::sumAvg: 4.675 atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } atom: 346 35E-HA A 4.33 ambi=1 { CA:58.5 } ::sumAvg: 4.675 atom: 347 35E-HB2 B 2.22 ambi=1 { CB:28.4 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } :: atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } ::sumAvg: 4.615 atom: 347 35E-HB2 B 2.22 ambi=1 { CB:28.4 } atom: 356 36Y-HA A 4.5 ambi=1 { CA:62.3 } :: atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } atom: 356 36Y-HA A 4.5 ambi=1 { CA:62.3 } ::sumAvg: 4.93 atom: 347 35E-HB2 B 2.22 ambi=1 { CB:28.4 } atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } :: atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } ::sumAvg: 4.61 atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } atom: 347 35E-HB2 B 2.22 ambi=1 { CB:28.4 } :: atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } ::sumAvg: 4.61 atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } atom: 395 39L-HG G 1.91 ambi=1 { CG:27.4 } ::sumAvg: 4.425 atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 347 35E-HB2 B 2.22 ambi=1 { CB:28.4 } :: atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } atom: 347 35E-HB2 B 2.22 ambi=1 { CB:28.4 } :: atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } :: atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } ::sumAvg: 4.69 atom: 347 35E-HB2 B 2.22 ambi=1 { CB:28.4 } atom: 1454 134L-H N 10.28 ambi=1 { N:125 } :: atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } atom: 1454 134L-H N 10.28 ambi=1 { N:125 } ::sumAvg: 4.02 atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } atom: 1456 134L-HB2 B 0.74 ambi=1 { CB:40.4 } :: atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } ::sumAvg: 4.355 atom: 1456 134L-HB2 B 0.74 ambi=1 { CB:40.4 } atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } :: atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } ::sumAvg: 4.355 atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 348 35E-HB3 B 2.34 ambi=1 { CB:28.4 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } ::sumAvg: 4.805 atom: 347 35E-HB2 B 2.22 ambi=1 { CB:28.4 } atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } ::sumAvg: 4.935 atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } :: atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } ::sumAvg: 4.7 atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } atom: 355 36Y-H N 8.83 ambi=1 { N:118.4 } :: atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 355 36Y-H N 8.83 ambi=1 { N:118.4 } ::sumAvg: 3.63 atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } atom: 356 36Y-HA A 4.5 ambi=1 { CA:62.3 } :: atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 356 36Y-HA A 4.5 ambi=1 { CA:62.3 } ::sumAvg: 4.955 atom: 356 36Y-HA A 4.5 ambi=1 { CA:62.3 } atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } :: atom: 356 36Y-HA A 4.5 ambi=1 { CA:62.3 } atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } ::sumAvg: 4.955 atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } :: atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } ::sumAvg: 4.46 atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } :: atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } ::sumAvg: 4.46 atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 395 39L-HG G 1.91 ambi=1 { CG:27.4 } ::sumAvg: 4.285 atom: 395 39L-HG G 1.91 ambi=1 { CG:27.4 } atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } ::sumAvg: 4.285 atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } :: atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } :: atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } :: atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } ::sumAvg: 3.645 atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } :: atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } :: atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } :: atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } ::sumAvg: 3.645 atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } atom: 690 65W-HZ2 Z2 7.02 ambi=1 { CZ2:113.1 } :: atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 690 65W-HZ2 Z2 7.02 ambi=1 { CZ2:113.1 } ::sumAvg: 4.965 atom: 690 65W-HZ2 Z2 7.02 ambi=1 { CZ2:113.1 } atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } :: atom: 690 65W-HZ2 Z2 7.02 ambi=1 { CZ2:113.1 } atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } ::sumAvg: 4.965 atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } atom: 692 65W-HH2 H2 6.46 ambi=1 { CH2:123.7 } :: atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 692 65W-HH2 H2 6.46 ambi=1 { CH2:123.7 } ::sumAvg: 4.69 atom: 692 65W-HH2 H2 6.46 ambi=1 { CH2:123.7 } atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } :: atom: 692 65W-HH2 H2 6.46 ambi=1 { CH2:123.7 } atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } ::sumAvg: 4.69 atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } :: atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } :: atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } :: atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } ::sumAvg: 4.29 atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } :: atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } :: atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } :: atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } ::sumAvg: 4.29 atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } atom: 1454 134L-H N 10.28 ambi=1 { N:125 } :: atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 1454 134L-H N 10.28 ambi=1 { N:125 } ::sumAvg: 3.365 atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } atom: 1456 134L-HB2 B 0.74 ambi=1 { CB:40.4 } :: atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } :: atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 1456 134L-HB2 B 0.74 ambi=1 { CB:40.4 } :: atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } ::sumAvg: 3.94 atom: 1456 134L-HB2 B 0.74 ambi=1 { CB:40.4 } atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } :: atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } :: atom: 1456 134L-HB2 B 0.74 ambi=1 { CB:40.4 } atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } :: atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } ::sumAvg: 3.94 atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 349 35E-HG2 G 2.14 ambi=2 { CG:34.7 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } :: atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 350 35E-HG3 G 2.75 ambi=2 { CG:34.7 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } ::sumAvg: 4.2 atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } atom: 355 36Y-H N 8.83 ambi=1 { N:118.4 } ::sumAvg: 4.9 atom: 356 36Y-HA A 4.5 ambi=1 { CA:62.3 } atom: 361 36Y-QE E 6.81 ambi=3 { CE1:117.8 } ::sumAvg: 4.235 atom: 356 36Y-HA A 4.5 ambi=1 { CA:62.3 } atom: 383 38S-H N 8.3 ambi=1 { N:114.9 } ::sumAvg: 4.45 atom: 410 40I-HD1 D1 0.92 ambi=1 { CD1:13.2 } atom: 356 36Y-HA A 4.5 ambi=1 { CA:62.3 } ::sumAvg: 4.255 atom: 356 36Y-HA A 4.5 ambi=1 { CA:62.3 } atom: 407 40I-HG12 G1 1.26 ambi=2 { CG1:29.8 } :: atom: 356 36Y-HA A 4.5 ambi=1 { CA:62.3 } atom: 408 40I-HG13 G1 1.86 ambi=2 { CG1:29.8 } ::sumAvg: 3.87 atom: 407 40I-HG12 G1 1.26 ambi=2 { CG1:29.8 } atom: 356 36Y-HA A 4.5 ambi=1 { CA:62.3 } :: atom: 408 40I-HG13 G1 1.86 ambi=2 { CG1:29.8 } atom: 356 36Y-HA A 4.5 ambi=1 { CA:62.3 } ::sumAvg: 3.87 atom: 356 36Y-HA A 4.5 ambi=1 { CA:62.3 } atom: 692 65W-HH2 H2 6.46 ambi=1 { CH2:123.7 } ::sumAvg: 4.85 atom: 692 65W-HH2 H2 6.46 ambi=1 { CH2:123.7 } atom: 356 36Y-HA A 4.5 ambi=1 { CA:62.3 } ::sumAvg: 4.85 atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } atom: 361 36Y-QE E 6.81 ambi=3 { CE1:117.8 } :: atom: 358 36Y-HB3 B 3.25 ambi=1 { CB:37.9 } atom: 361 36Y-QE E 6.81 ambi=3 { CE1:117.8 } ::sumAvg: 4.45 atom: 371 37Q-HA A 4.15 ambi=1 { CA:59.3 } atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } :: atom: 371 37Q-HA A 4.15 ambi=1 { CA:59.3 } atom: 358 36Y-HB3 B 3.25 ambi=1 { CB:37.9 } ::sumAvg: 4.275 atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } atom: 372 37Q-HB2 B 2.23 ambi=2 { CB:28.3 } :: atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } atom: 373 37Q-HB3 B 2.34 ambi=2 { CB:28.3 } ::sumAvg: 4.875 atom: 372 37Q-HB2 B 2.23 ambi=2 { CB:28.3 } atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } :: atom: 373 37Q-HB3 B 2.34 ambi=2 { CB:28.3 } atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } ::sumAvg: 4.875 atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } atom: 374 37Q-HG2 G 2.54 ambi=2 { CG:34.2 } :: atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } atom: 375 37Q-HG3 G 2.64 ambi=2 { CG:34.2 } :: atom: 358 36Y-HB3 B 3.25 ambi=1 { CB:37.9 } atom: 374 37Q-HG2 G 2.54 ambi=2 { CG:34.2 } :: atom: 358 36Y-HB3 B 3.25 ambi=1 { CB:37.9 } atom: 375 37Q-HG3 G 2.64 ambi=2 { CG:34.2 } ::sumAvg: 3.755 atom: 374 37Q-HG2 G 2.54 ambi=2 { CG:34.2 } atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } :: atom: 375 37Q-HG3 G 2.64 ambi=2 { CG:34.2 } atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } :: atom: 374 37Q-HG2 G 2.54 ambi=2 { CG:34.2 } atom: 358 36Y-HB3 B 3.25 ambi=1 { CB:37.9 } :: atom: 375 37Q-HG3 G 2.64 ambi=2 { CG:34.2 } atom: 358 36Y-HB3 B 3.25 ambi=1 { CB:37.9 } ::sumAvg: 3.755 atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } atom: 376 37Q-HE21 E2 7.61 ambi=2 { NE2:111.4 } :: atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } atom: 377 37Q-HE22 E2 6.94 ambi=2 { NE2:111.4 } ::sumAvg: 4.99 atom: 358 36Y-HB3 B 3.25 ambi=1 { CB:37.9 } atom: 393 39L-HB2 B 1.79 ambi=1 { CB:42.7 } ::sumAvg: 4.545 atom: 393 39L-HB2 B 1.79 ambi=1 { CB:42.7 } atom: 358 36Y-HB3 B 3.25 ambi=1 { CB:37.9 } ::sumAvg: 4.545 atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } :: atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } :: atom: 358 36Y-HB3 B 3.25 ambi=1 { CB:37.9 } atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } :: atom: 358 36Y-HB3 B 3.25 ambi=1 { CB:37.9 } atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } ::sumAvg: 4.355 atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } :: atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } :: atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } atom: 358 36Y-HB3 B 3.25 ambi=1 { CB:37.9 } :: atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } atom: 358 36Y-HB3 B 3.25 ambi=1 { CB:37.9 } ::sumAvg: 4.355 atom: 357 36Y-HB2 B 3.17 ambi=1 { CB:37.9 } atom: 410 40I-HD1 D1 0.92 ambi=1 { CD1:13.2 } :: atom: 358 36Y-HB3 B 3.25 ambi=1 { CB:37.9 } atom: 410 40I-HD1 D1 0.92 ambi=1 { CD1:13.2 } ::sumAvg: 2.94 atom: 358 36Y-HB3 B 3.25 ambi=1 { CB:37.9 } atom: 407 40I-HG12 G1 1.26 ambi=2 { CG1:29.8 } :: atom: 358 36Y-HB3 B 3.25 ambi=1 { CB:37.9 } atom: 408 40I-HG13 G1 1.86 ambi=2 { CG1:29.8 } ::sumAvg: 3.83 atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } atom: 393 39L-HB2 B 1.79 ambi=1 { CB:42.7 } :: atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } atom: 394 39L-HB3 B 2.21 ambi=1 { CB:42.7 } ::sumAvg: 3.695 atom: 393 39L-HB2 B 1.79 ambi=1 { CB:42.7 } atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } :: atom: 394 39L-HB3 B 2.21 ambi=1 { CB:42.7 } atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } ::sumAvg: 3.695 atom: 395 39L-HG G 1.91 ambi=1 { CG:27.4 } atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } ::sumAvg: 4.685 atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } atom: 691 65W-HZ3 Z3 6.65 ambi=1 { CZ3:120.1 } ::sumAvg: 4.395 atom: 691 65W-HZ3 Z3 6.65 ambi=1 { CZ3:120.1 } atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } ::sumAvg: 4.395 atom: 359 36Y-QD D 7.33 ambi=3 { CD1:131.7 } atom: 692 65W-HH2 H2 6.46 ambi=1 { CH2:123.7 } ::sumAvg: 3.345 atom: 361 36Y-QE E 6.81 ambi=3 { CE1:117.8 } atom: 617 58S-HB3 B 2.44 ambi=1 { CB:66.8 } ::sumAvg: 4.325 atom: 617 58S-HB3 B 2.44 ambi=1 { CB:66.8 } atom: 361 36Y-QE E 6.81 ambi=3 { CE1:117.8 } ::sumAvg: 4.325 atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } atom: 370 37Q-H N 8.21 ambi=1 { N:117.4 } ::sumAvg: 4.42 atom: 393 39L-HB2 B 1.79 ambi=1 { CB:42.7 } atom: 370 37Q-H N 8.21 ambi=1 { N:117.4 } ::sumAvg: 4.865 atom: 371 37Q-HA A 4.15 ambi=1 { CA:59.3 } atom: 391 39L-H N 8.42 ambi=1 { N:120.8 } ::sumAvg: 4.455 atom: 384 38S-HA A 4.12 ambi=1 { CA:62.8 } atom: 372 37Q-HB2 B 2.23 ambi=2 { CB:28.3 } :: atom: 384 38S-HA A 4.12 ambi=1 { CA:62.8 } atom: 373 37Q-HB3 B 2.34 ambi=2 { CB:28.3 } ::sumAvg: 4.245 atom: 372 37Q-HB2 B 2.23 ambi=2 { CB:28.3 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } :: atom: 373 37Q-HB3 B 2.34 ambi=2 { CB:28.3 } atom: 385 38S-QB B 3.98 ambi=2 { CB:62.7 } ::sumAvg: 4.345 atom: 372 37Q-HB2 B 2.23 ambi=2 { CB:28.3 } atom: 376 37Q-HE21 E2 7.61 ambi=2 { NE2:111.4 } :: atom: 372 37Q-HB2 B 2.23 ambi=2 { CB:28.3 } atom: 377 37Q-HE22 E2 6.94 ambi=2 { NE2:111.4 } :: atom: 373 37Q-HB3 B 2.34 ambi=2 { CB:28.3 } atom: 376 37Q-HE21 E2 7.61 ambi=2 { NE2:111.4 } :: atom: 373 37Q-HB3 B 2.34 ambi=2 { CB:28.3 } atom: 377 37Q-HE22 E2 6.94 ambi=2 { NE2:111.4 } ::sumAvg: 4.43 atom: 372 37Q-HB2 B 2.23 ambi=2 { CB:28.3 } atom: 391 39L-H N 8.42 ambi=1 { N:120.8 } :: atom: 373 37Q-HB3 B 2.34 ambi=2 { CB:28.3 } atom: 391 39L-H N 8.42 ambi=1 { N:120.8 } ::sumAvg: 4.965 atom: 410 40I-HD1 D1 0.92 ambi=1 { CD1:13.2 } atom: 374 37Q-HG2 G 2.54 ambi=2 { CG:34.2 } :: atom: 410 40I-HD1 D1 0.92 ambi=1 { CD1:13.2 } atom: 375 37Q-HG3 G 2.64 ambi=2 { CG:34.2 } ::sumAvg: 3.93 atom: 393 39L-HB2 B 1.79 ambi=1 { CB:42.7 } atom: 383 38S-H N 8.3 ambi=1 { N:114.9 } ::sumAvg: 4.495 atom: 395 39L-HG G 1.91 ambi=1 { CG:27.4 } atom: 383 38S-H N 8.3 ambi=1 { N:114.9 } ::sumAvg: 4.7 atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } atom: 387 38S-HG G 5.22 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.625 atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 387 38S-HG G 5.22 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.76 atom: 392 39L-HA A 4.23 ambi=1 { CA:58.8 } atom: 405 40I-HA A 3.79 ambi=1 { CA:65 } ::sumAvg: 4.77 atom: 405 40I-HA A 3.79 ambi=1 { CA:65 } atom: 392 39L-HA A 4.23 ambi=1 { CA:58.8 } ::sumAvg: 4.77 atom: 392 39L-HA A 4.23 ambi=1 { CA:58.8 } atom: 417 41R-H N 7.64 ambi=1 { N:119 } ::sumAvg: 4.43 atom: 392 39L-HA A 4.23 ambi=1 { CA:58.8 } atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } ::sumAvg: 4.335 atom: 392 39L-HA A 4.23 ambi=1 { CA:58.8 } atom: 445 43V-H N 8.77 ambi=1 { N:118.9 } ::sumAvg: 4.14 atom: 392 39L-HA A 4.23 ambi=1 { CA:58.8 } atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } :: atom: 392 39L-HA A 4.23 ambi=1 { CA:58.8 } atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } ::sumAvg: 3.84 atom: 392 39L-HA A 4.23 ambi=1 { CA:58.8 } atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } ::sumAvg: 4.91 atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 392 39L-HA A 4.23 ambi=1 { CA:58.8 } ::sumAvg: 4.91 atom: 392 39L-HA A 4.23 ambi=1 { CA:58.8 } atom: 1468 135A-HA A 3.75 ambi=1 { CA:55.6 } ::sumAvg: 4.42 atom: 1468 135A-HA A 3.75 ambi=1 { CA:55.6 } atom: 392 39L-HA A 4.23 ambi=1 { CA:58.8 } ::sumAvg: 4.42 atom: 393 39L-HB2 B 1.79 ambi=1 { CB:42.7 } atom: 405 40I-HA A 3.79 ambi=1 { CA:65 } :: atom: 394 39L-HB3 B 2.21 ambi=1 { CB:42.7 } atom: 405 40I-HA A 3.79 ambi=1 { CA:65 } ::sumAvg: 4.19 atom: 405 40I-HA A 3.79 ambi=1 { CA:65 } atom: 393 39L-HB2 B 1.79 ambi=1 { CB:42.7 } :: atom: 405 40I-HA A 3.79 ambi=1 { CA:65 } atom: 394 39L-HB3 B 2.21 ambi=1 { CB:42.7 } ::sumAvg: 4.19 atom: 410 40I-HD1 D1 0.92 ambi=1 { CD1:13.2 } atom: 393 39L-HB2 B 1.79 ambi=1 { CB:42.7 } ::sumAvg: 4.64 atom: 407 40I-HG12 G1 1.26 ambi=2 { CG1:29.8 } atom: 393 39L-HB2 B 1.79 ambi=1 { CB:42.7 } :: atom: 407 40I-HG12 G1 1.26 ambi=2 { CG1:29.8 } atom: 394 39L-HB3 B 2.21 ambi=1 { CB:42.7 } ::sumAvg: 3.42 atom: 393 39L-HB2 B 1.79 ambi=1 { CB:42.7 } atom: 417 41R-H N 7.64 ambi=1 { N:119 } ::sumAvg: 4.865 atom: 394 39L-HB3 B 2.21 ambi=1 { CB:42.7 } atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } ::sumAvg: 4.915 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 394 39L-HB3 B 2.21 ambi=1 { CB:42.7 } ::sumAvg: 4.915 atom: 394 39L-HB3 B 2.21 ambi=1 { CB:42.7 } atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } :: atom: 394 39L-HB3 B 2.21 ambi=1 { CB:42.7 } atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } ::sumAvg: 3.595 atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } atom: 394 39L-HB3 B 2.21 ambi=1 { CB:42.7 } :: atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } atom: 394 39L-HB3 B 2.21 ambi=1 { CB:42.7 } ::sumAvg: 3.595 atom: 394 39L-HB3 B 2.21 ambi=1 { CB:42.7 } atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } ::sumAvg: 4.4 atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 394 39L-HB3 B 2.21 ambi=1 { CB:42.7 } ::sumAvg: 4.4 atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } atom: 393 39L-HB2 B 1.79 ambi=1 { CB:42.7 } :: atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } atom: 394 39L-HB3 B 2.21 ambi=1 { CB:42.7 } ::sumAvg: 4.3 atom: 406 40I-HB B 1.98 ambi=1 { CB:37.8 } atom: 391 39L-H N 8.42 ambi=1 { N:120.8 } ::sumAvg: 4.8 atom: 407 40I-HG12 G1 1.26 ambi=2 { CG1:29.8 } atom: 391 39L-H N 8.42 ambi=1 { N:120.8 } :: atom: 408 40I-HG13 G1 1.86 ambi=2 { CG1:29.8 } atom: 391 39L-H N 8.42 ambi=1 { N:120.8 } ::sumAvg: 4.58 atom: 405 40I-HA A 3.79 ambi=1 { CA:65 } atom: 418 41R-HA A 4.23 ambi=1 { CA:57.4 } ::sumAvg: 4.76 atom: 418 41R-HA A 4.23 ambi=1 { CA:57.4 } atom: 405 40I-HA A 3.79 ambi=1 { CA:65 } ::sumAvg: 4.76 atom: 405 40I-HA A 3.79 ambi=1 { CA:65 } atom: 430 42Y-H N 8.25 ambi=1 { N:119.9 } ::sumAvg: 4.385 atom: 405 40I-HA A 3.79 ambi=1 { CA:65 } atom: 455 44E-H N 8.37 ambi=1 { N:119.7 } ::sumAvg: 3.915 atom: 406 40I-HB B 1.98 ambi=1 { CB:37.8 } atom: 418 41R-HA A 4.23 ambi=1 { CA:57.4 } ::sumAvg: 4.385 atom: 395 39L-HG G 1.91 ambi=1 { CG:27.4 } atom: 404 40I-H N 8.86 ambi=1 { N:118.5 } ::sumAvg: 4.515 atom: 395 39L-HG G 1.91 ambi=1 { CG:27.4 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 395 39L-HG G 1.91 ambi=1 { CG:27.4 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } ::sumAvg: 4.855 atom: 395 39L-HG G 1.91 ambi=1 { CG:27.4 } atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } ::sumAvg: 3.565 atom: 1468 135A-HA A 3.75 ambi=1 { CA:55.6 } atom: 395 39L-HG G 1.91 ambi=1 { CG:27.4 } ::sumAvg: 4.4 atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } :: atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } ::sumAvg: 3.925 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } :: atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } ::sumAvg: 3.925 atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } :: atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } ::sumAvg: 4.47 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } :: atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } ::sumAvg: 4.47 atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } atom: 568 54F-HZ Z 5.65 ambi=1 { CZ:131.9 } :: atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } atom: 568 54F-HZ Z 5.65 ambi=1 { CZ:131.9 } ::sumAvg: 3.32 atom: 568 54F-HZ Z 5.65 ambi=1 { CZ:131.9 } atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } :: atom: 568 54F-HZ Z 5.65 ambi=1 { CZ:131.9 } atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } ::sumAvg: 3.32 atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } :: atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } ::sumAvg: 2.82 atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } :: atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } ::sumAvg: 2.82 atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } atom: 1454 134L-H N 10.28 ambi=1 { N:125 } :: atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } atom: 1454 134L-H N 10.28 ambi=1 { N:125 } ::sumAvg: 4.775 atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } :: atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } ::sumAvg: 3.155 atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } :: atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } ::sumAvg: 3.46 atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } atom: 396 39L-HD1 D1 0.93 ambi=2 { CD1:25.4 } :: atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } atom: 397 39L-HD2 D2 0.98 ambi=2 { CD2:23.9 } ::sumAvg: 3.46 atom: 419 41R-HB2 B 1.95 ambi=2 { CB:29.4 } atom: 404 40I-H N 8.86 ambi=1 { N:118.5 } :: atom: 420 41R-HB3 B 2.07 ambi=2 { CB:29.4 } atom: 404 40I-H N 8.86 ambi=1 { N:118.5 } ::sumAvg: 4.93 atom: 407 40I-HG12 G1 1.26 ambi=2 { CG1:29.8 } atom: 447 43V-HB B 2.1 ambi=1 { CB:31.5 } ::sumAvg: 4.765 atom: 447 43V-HB B 2.1 ambi=1 { CB:31.5 } atom: 407 40I-HG12 G1 1.26 ambi=2 { CG1:29.8 } ::sumAvg: 4.765 atom: 407 40I-HG12 G1 1.26 ambi=2 { CG1:29.8 } atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } :: atom: 407 40I-HG12 G1 1.26 ambi=2 { CG1:29.8 } atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } :: atom: 408 40I-HG13 G1 1.86 ambi=2 { CG1:29.8 } atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } :: atom: 408 40I-HG13 G1 1.86 ambi=2 { CG1:29.8 } atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } ::sumAvg: 4.87 atom: 421 41R-HG2 G 1.74 ambi=2 { CG:26.1 } atom: 409 40I-HG2 G2 0.97 ambi=1 { CG2:17 } :: atom: 422 41R-HG3 G 1.93 ambi=2 { CG:26.1 } atom: 409 40I-HG2 G2 0.97 ambi=1 { CG2:17 } ::sumAvg: 4.78 atom: 409 40I-HG2 G2 0.97 ambi=1 { CG2:17 } atom: 445 43V-H N 8.77 ambi=1 { N:118.9 } ::sumAvg: 4.765 atom: 409 40I-HG2 G2 0.97 ambi=1 { CG2:17 } atom: 456 44E-HA A 3.88 ambi=1 { CA:59.7 } ::sumAvg: 4.84 atom: 456 44E-HA A 3.88 ambi=1 { CA:59.7 } atom: 409 40I-HG2 G2 0.97 ambi=1 { CG2:17 } ::sumAvg: 4.84 atom: 476 46N-HA A 4.38 ambi=1 { CA:55.3 } atom: 480 46N-HD22 D2 7.24 ambi=2 { ND2:104.6 } ::sumAvg: 3.53 atom: 476 46N-HA A 4.38 ambi=1 { CA:55.3 } atom: 486 47K-HA A 3.93 ambi=1 { CA:60.5 } ::sumAvg: 4.79 atom: 486 47K-HA A 3.93 ambi=1 { CA:60.5 } atom: 476 46N-HA A 4.38 ambi=1 { CA:55.3 } ::sumAvg: 4.79 atom: 476 46N-HA A 4.38 ambi=1 { CA:55.3 } atom: 528 51N-HD21 D2 6.69 ambi=2 { ND2:110.7 } :: atom: 476 46N-HA A 4.38 ambi=1 { CA:55.3 } atom: 529 51N-HD22 D2 7.7 ambi=2 { ND2:110.7 } ::sumAvg: 4.74 atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } atom: 486 47K-HA A 3.93 ambi=1 { CA:60.5 } ::sumAvg: 3.875 atom: 486 47K-HA A 3.93 ambi=1 { CA:60.5 } atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } ::sumAvg: 3.875 atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } atom: 513 49A-HB B 1.5 ambi=1 { CB:19 } ::sumAvg: 3.915 atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } atom: 487 47K-QB B 1.91 ambi=2 { CB:32.2 } ::sumAvg: 4.375 atom: 487 47K-QB B 1.91 ambi=2 { CB:32.2 } atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } ::sumAvg: 4.375 atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } atom: 489 47K-HG2 G 1.31 ambi=2 { CG:25.6 } :: atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } atom: 490 47K-HG3 G 1.59 ambi=2 { CG:25.6 } ::sumAvg: 3.675 atom: 489 47K-HG2 G 1.31 ambi=2 { CG:25.6 } atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } :: atom: 490 47K-HG3 G 1.59 ambi=2 { CG:25.6 } atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } ::sumAvg: 3.675 atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } atom: 511 49A-H N 7.52 ambi=1 { N:121.1 } ::sumAvg: 4.425 atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } atom: 524 51N-H N 8.55 ambi=1 { N:116.4 } ::sumAvg: 3.715 atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } atom: 526 51N-HB2 B 2.37 ambi=2 { CB:39.9 } ::sumAvg: 3.385 atom: 526 51N-HB2 B 2.37 ambi=2 { CB:39.9 } atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } ::sumAvg: 3.385 atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } atom: 536 52D-HB2 B 2.19 ambi=1 { CB:40.5 } ::sumAvg: 3.9 atom: 536 52D-HB2 B 2.19 ambi=1 { CB:40.5 } atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } ::sumAvg: 3.9 atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } atom: 534 52D-H N 8.49 ambi=1 { N:120 } ::sumAvg: 4.115 atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } ::sumAvg: 3.4 atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } atom: 545 53W-HD1 D1 7.87 ambi=1 { CD1:128.3 } ::sumAvg: 4.22 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 417 41R-H N 7.64 ambi=1 { N:119 } ::sumAvg: 4.39 atom: 418 41R-HA A 4.23 ambi=1 { CA:57.4 } atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } ::sumAvg: 4.755 atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 418 41R-HA A 4.23 ambi=1 { CA:57.4 } ::sumAvg: 4.755 atom: 418 41R-HA A 4.23 ambi=1 { CA:57.4 } atom: 445 43V-H N 8.77 ambi=1 { N:118.9 } ::sumAvg: 4.605 atom: 418 41R-HA A 4.23 ambi=1 { CA:57.4 } atom: 465 45N-H N 8.47 ambi=1 { N:119.5 } ::sumAvg: 4.135 atom: 419 41R-HB2 B 1.95 ambi=2 { CB:29.4 } atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } :: atom: 420 41R-HB3 B 2.07 ambi=2 { CB:29.4 } atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } ::sumAvg: 4.37 atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 419 41R-HB2 B 1.95 ambi=2 { CB:29.4 } :: atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 420 41R-HB3 B 2.07 ambi=2 { CB:29.4 } ::sumAvg: 4.37 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 419 41R-HB2 B 1.95 ambi=2 { CB:29.4 } :: atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 420 41R-HB3 B 2.07 ambi=2 { CB:29.4 } ::sumAvg: 4.135 atom: 419 41R-HB2 B 1.95 ambi=2 { CB:29.4 } atom: 469 45N-HD21 D2 7.98 ambi=2 { ND2:110.8 } :: atom: 419 41R-HB2 B 1.95 ambi=2 { CB:29.4 } atom: 470 45N-HD22 D2 6.74 ambi=2 { ND2:110.8 } :: atom: 420 41R-HB3 B 2.07 ambi=2 { CB:29.4 } atom: 469 45N-HD21 D2 7.98 ambi=2 { ND2:110.8 } :: atom: 420 41R-HB3 B 2.07 ambi=2 { CB:29.4 } atom: 470 45N-HD22 D2 6.74 ambi=2 { ND2:110.8 } ::sumAvg: 4.52 atom: 421 41R-HG2 G 1.74 ambi=2 { CG:26.1 } atom: 430 42Y-H N 8.25 ambi=1 { N:119.9 } :: atom: 422 41R-HG3 G 1.93 ambi=2 { CG:26.1 } atom: 430 42Y-H N 8.25 ambi=1 { N:119.9 } ::sumAvg: 4.055 atom: 421 41R-HG2 G 1.74 ambi=2 { CG:26.1 } atom: 458 44E-HB3 B 2.21 ambi=2 { CB:29.2 } ::sumAvg: 4.85 atom: 458 44E-HB3 B 2.21 ambi=2 { CB:29.2 } atom: 421 41R-HG2 G 1.74 ambi=2 { CG:26.1 } ::sumAvg: 4.85 atom: 423 41R-HD2 D 3.37 ambi=2 { CD:42.2 } atom: 465 45N-H N 8.47 ambi=1 { N:119.5 } :: atom: 424 41R-HD3 D 3.42 ambi=2 { CD:42.2 } atom: 465 45N-H N 8.47 ambi=1 { N:119.5 } ::sumAvg: 4.845 atom: 447 43V-HB B 2.1 ambi=1 { CB:31.5 } atom: 430 42Y-H N 8.25 ambi=1 { N:119.9 } ::sumAvg: 4.67 atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } atom: 430 42Y-H N 8.25 ambi=1 { N:119.9 } ::sumAvg: 4.5 atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } ::sumAvg: 2.36 atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } ::sumAvg: 4.48 atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } ::sumAvg: 4.48 atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 445 43V-H N 8.77 ambi=1 { N:118.9 } ::sumAvg: 3.55 atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 446 43V-HA A 3.25 ambi=1 { CA:67.2 } ::sumAvg: 4.79 atom: 446 43V-HA A 3.25 ambi=1 { CA:67.2 } atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } ::sumAvg: 4.79 atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 455 44E-H N 8.37 ambi=1 { N:119.7 } ::sumAvg: 4.42 atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 465 45N-H N 8.47 ambi=1 { N:119.5 } ::sumAvg: 3.475 atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } :: atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } ::sumAvg: 2.845 atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 469 45N-HD21 D2 7.98 ambi=2 { ND2:110.8 } :: atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 470 45N-HD22 D2 6.74 ambi=2 { ND2:110.8 } ::sumAvg: 2.735 atom: 431 42Y-HA A 4.78 ambi=1 { CA:58.8 } atom: 475 46N-H N 8.75 ambi=1 { N:122.2 } ::sumAvg: 4.31 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } ::sumAvg: 3.975 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 445 43V-H N 8.77 ambi=1 { N:118.9 } ::sumAvg: 2.5 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 447 43V-HB B 2.1 ambi=1 { CB:31.5 } ::sumAvg: 4.685 atom: 447 43V-HB B 2.1 ambi=1 { CB:31.5 } atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } ::sumAvg: 4.685 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 455 44E-H N 8.37 ambi=1 { N:119.7 } ::sumAvg: 4.725 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 469 45N-HD21 D2 7.98 ambi=2 { ND2:110.8 } :: atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 470 45N-HD22 D2 6.74 ambi=2 { ND2:110.8 } ::sumAvg: 4.51 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } ::sumAvg: 4.905 atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } ::sumAvg: 4.905 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 1468 135A-HA A 3.75 ambi=1 { CA:55.6 } ::sumAvg: 4.825 atom: 1468 135A-HA A 3.75 ambi=1 { CA:55.6 } atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } ::sumAvg: 4.825 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } ::sumAvg: 2.975 atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } ::sumAvg: 4.935 atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } atom: 432 42Y-QB B 3.32 ambi=2 { CB:38.5 } ::sumAvg: 4.935 atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } ::sumAvg: 4.03 atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } atom: 446 43V-HA A 3.25 ambi=1 { CA:67.2 } ::sumAvg: 3.945 atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } atom: 465 45N-H N 8.47 ambi=1 { N:119.5 } ::sumAvg: 4.95 atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } :: atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } ::sumAvg: 3.58 atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } :: atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } ::sumAvg: 3.58 atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } atom: 469 45N-HD21 D2 7.98 ambi=2 { ND2:110.8 } :: atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } atom: 470 45N-HD22 D2 6.74 ambi=2 { ND2:110.8 } ::sumAvg: 3.595 atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } atom: 479 46N-HD21 D2 4.55 ambi=2 { ND2:104.6 } ::sumAvg: 4.595 atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } ::sumAvg: 4.18 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } ::sumAvg: 4.18 atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } atom: 568 54F-HZ Z 5.65 ambi=1 { CZ:131.9 } ::sumAvg: 4.75 atom: 568 54F-HZ Z 5.65 ambi=1 { CZ:131.9 } atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } ::sumAvg: 4.75 atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } ::sumAvg: 3.7 atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } ::sumAvg: 3.7 atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } atom: 1499 138M-HB2 B 2.2 ambi=1 { CB:31.6 } ::sumAvg: 4.895 atom: 1499 138M-HB2 B 2.2 ambi=1 { CB:31.6 } atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } ::sumAvg: 4.895 atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } atom: 434 42Y-QD D 7.26 ambi=3 { CD1:131.7 } ::sumAvg: 4.265 atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } ::sumAvg: 4.05 atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } ::sumAvg: 4.05 atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } :: atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } ::sumAvg: 4.68 atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } :: atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } ::sumAvg: 4.68 atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } :: atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } ::sumAvg: 4.815 atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } :: atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } ::sumAvg: 4.68 atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } atom: 544 53W-HB3 B 4.08 ambi=1 { CB:29.6 } ::sumAvg: 4.995 atom: 544 53W-HB3 B 4.08 ambi=1 { CB:29.6 } atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } ::sumAvg: 4.995 atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } atom: 545 53W-HD1 D1 7.87 ambi=1 { CD1:128.3 } ::sumAvg: 4.65 atom: 545 53W-HD1 D1 7.87 ambi=1 { CD1:128.3 } atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } ::sumAvg: 4.65 atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } atom: 546 53W-HE1 E1 9.85 ambi=1 { NE1:127.8 } ::sumAvg: 4.04 atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } atom: 548 53W-HZ2 Z2 7.45 ambi=1 { CZ2:113.7 } ::sumAvg: 4.2 atom: 548 53W-HZ2 Z2 7.45 ambi=1 { CZ2:113.7 } atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } ::sumAvg: 4.2 atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } ::sumAvg: 3.685 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } ::sumAvg: 3.685 atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } ::sumAvg: 3.845 atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } ::sumAvg: 3.845 atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } atom: 1499 138M-HB2 B 2.2 ambi=1 { CB:31.6 } :: atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } atom: 1500 138M-HB3 B 2.46 ambi=1 { CB:31.6 } ::sumAvg: 4.175 atom: 1499 138M-HB2 B 2.2 ambi=1 { CB:31.6 } atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } :: atom: 1500 138M-HB3 B 2.46 ambi=1 { CB:31.6 } atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } ::sumAvg: 4.175 atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } atom: 1507 139A-H N 8.35 ambi=1 { N:120.5 } ::sumAvg: 4.865 atom: 1508 139A-HA A 4.49 ambi=1 { CA:55.8 } atom: 436 42Y-QE E 6.97 ambi=3 { CE1:118.8 } ::sumAvg: 4.555 atom: 446 43V-HA A 3.25 ambi=1 { CA:67.2 } atom: 456 44E-HA A 3.88 ambi=1 { CA:59.7 } ::sumAvg: 4.805 atom: 456 44E-HA A 3.88 ambi=1 { CA:59.7 } atom: 446 43V-HA A 3.25 ambi=1 { CA:67.2 } ::sumAvg: 4.805 atom: 446 43V-HA A 3.25 ambi=1 { CA:67.2 } atom: 465 45N-H N 8.47 ambi=1 { N:119.5 } ::sumAvg: 4.485 atom: 446 43V-HA A 3.25 ambi=1 { CA:67.2 } atom: 489 47K-HG2 G 1.31 ambi=2 { CG:25.6 } :: atom: 446 43V-HA A 3.25 ambi=1 { CA:67.2 } atom: 490 47K-HG3 G 1.59 ambi=2 { CG:25.6 } ::sumAvg: 4.13 atom: 489 47K-HG2 G 1.31 ambi=2 { CG:25.6 } atom: 446 43V-HA A 3.25 ambi=1 { CA:67.2 } :: atom: 490 47K-HG3 G 1.59 ambi=2 { CG:25.6 } atom: 446 43V-HA A 3.25 ambi=1 { CA:67.2 } ::sumAvg: 4.13 atom: 446 43V-HA A 3.25 ambi=1 { CA:67.2 } atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } ::sumAvg: 4.855 atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } atom: 446 43V-HA A 3.25 ambi=1 { CA:67.2 } ::sumAvg: 4.855 atom: 446 43V-HA A 3.25 ambi=1 { CA:67.2 } atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } ::sumAvg: 4.88 atom: 447 43V-HB B 2.1 ambi=1 { CB:31.5 } atom: 456 44E-HA A 3.88 ambi=1 { CA:59.7 } ::sumAvg: 4.395 atom: 447 43V-HB B 2.1 ambi=1 { CB:31.5 } atom: 489 47K-HG2 G 1.31 ambi=2 { CG:25.6 } :: atom: 447 43V-HB B 2.1 ambi=1 { CB:31.5 } atom: 490 47K-HG3 G 1.59 ambi=2 { CG:25.6 } ::sumAvg: 4.965 atom: 489 47K-HG2 G 1.31 ambi=2 { CG:25.6 } atom: 447 43V-HB B 2.1 ambi=1 { CB:31.5 } :: atom: 490 47K-HG3 G 1.59 ambi=2 { CG:25.6 } atom: 447 43V-HB B 2.1 ambi=1 { CB:31.5 } ::sumAvg: 4.965 atom: 447 43V-HB B 2.1 ambi=1 { CB:31.5 } atom: 491 47K-QD D 1.6 ambi=2 { CD:29.7 } ::sumAvg: 4.565 atom: 491 47K-QD D 1.6 ambi=2 { CD:29.7 } atom: 447 43V-HB B 2.1 ambi=1 { CB:31.5 } ::sumAvg: 4.565 atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } atom: 459 44E-HG2 G 2.31 ambi=2 { CG:36.4 } :: atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } atom: 460 44E-HG3 G 2.42 ambi=2 { CG:36.4 } :: atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } atom: 459 44E-HG2 G 2.31 ambi=2 { CG:36.4 } :: atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } atom: 460 44E-HG3 G 2.42 ambi=2 { CG:36.4 } ::sumAvg: 4.47 atom: 486 47K-HA A 3.93 ambi=1 { CA:60.5 } atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } :: atom: 486 47K-HA A 3.93 ambi=1 { CA:60.5 } atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } ::sumAvg: 4.875 atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } atom: 487 47K-QB B 1.91 ambi=2 { CB:32.2 } :: atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } atom: 487 47K-QB B 1.91 ambi=2 { CB:32.2 } ::sumAvg: 3.715 atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } :: atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } ::sumAvg: 4.345 atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } :: atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } ::sumAvg: 4.345 atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } atom: 536 52D-HB2 B 2.19 ambi=1 { CB:40.5 } :: atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } atom: 537 52D-HB3 B 2.96 ambi=1 { CB:40.5 } :: atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } atom: 536 52D-HB2 B 2.19 ambi=1 { CB:40.5 } :: atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } atom: 537 52D-HB3 B 2.96 ambi=1 { CB:40.5 } ::sumAvg: 4.41 atom: 536 52D-HB2 B 2.19 ambi=1 { CB:40.5 } atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } :: atom: 537 52D-HB3 B 2.96 ambi=1 { CB:40.5 } atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } :: atom: 536 52D-HB2 B 2.19 ambi=1 { CB:40.5 } atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } :: atom: 537 52D-HB3 B 2.96 ambi=1 { CB:40.5 } atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } ::sumAvg: 4.41 atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } :: atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } :: atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } :: atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } ::sumAvg: 4.62 atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } :: atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } ::sumAvg: 4.675 atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } :: atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } ::sumAvg: 4.015 atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } :: atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } ::sumAvg: 3.57 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } :: atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } ::sumAvg: 3.57 atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } atom: 568 54F-HZ Z 5.65 ambi=1 { CZ:131.9 } :: atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } atom: 568 54F-HZ Z 5.65 ambi=1 { CZ:131.9 } ::sumAvg: 4.385 atom: 568 54F-HZ Z 5.65 ambi=1 { CZ:131.9 } atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } :: atom: 568 54F-HZ Z 5.65 ambi=1 { CZ:131.9 } atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } ::sumAvg: 4.385 atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } :: atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } ::sumAvg: 3.43 atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } :: atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } ::sumAvg: 3.43 atom: 448 43V-HG1 G1 0.78 ambi=2 { CG1:23.6 } atom: 578 55R-HA A 4.37 ambi=1 { CA:54.8 } :: atom: 449 43V-HG2 G2 0.8 ambi=2 { CG2:21 } atom: 578 55R-HA A 4.37 ambi=1 { CA:54.8 } ::sumAvg: 4.29 atom: 487 47K-QB B 1.91 ambi=2 { CB:32.2 } atom: 455 44E-H N 8.37 ambi=1 { N:119.7 } ::sumAvg: 4.83 atom: 491 47K-QD D 1.6 ambi=2 { CD:29.7 } atom: 455 44E-H N 8.37 ambi=1 { N:119.7 } ::sumAvg: 4.565 atom: 456 44E-HA A 3.88 ambi=1 { CA:59.7 } atom: 466 45N-HA A 4.48 ambi=1 { CA:55.6 } ::sumAvg: 4.79 atom: 466 45N-HA A 4.48 ambi=1 { CA:55.6 } atom: 456 44E-HA A 3.88 ambi=1 { CA:59.7 } ::sumAvg: 4.79 atom: 456 44E-HA A 3.88 ambi=1 { CA:59.7 } atom: 493 47K-QE E 2.84 ambi=2 { CE:41.8 } ::sumAvg: 4.495 atom: 456 44E-HA A 3.88 ambi=1 { CA:59.7 } atom: 501 48N-H N 8.2 ambi=1 { N:118.9 } ::sumAvg: 4.145 atom: 457 44E-HB2 B 2.1 ambi=2 { CB:29.2 } atom: 466 45N-HA A 4.48 ambi=1 { CA:55.6 } :: atom: 458 44E-HB3 B 2.21 ambi=2 { CB:29.2 } atom: 466 45N-HA A 4.48 ambi=1 { CA:55.6 } ::sumAvg: 4.24 atom: 457 44E-HB2 B 2.1 ambi=2 { CB:29.2 } atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } :: atom: 457 44E-HB2 B 2.1 ambi=2 { CB:29.2 } atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } :: atom: 458 44E-HB3 B 2.21 ambi=2 { CB:29.2 } atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } :: atom: 458 44E-HB3 B 2.21 ambi=2 { CB:29.2 } atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } ::sumAvg: 4.975 atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } atom: 457 44E-HB2 B 2.1 ambi=2 { CB:29.2 } :: atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } atom: 457 44E-HB2 B 2.1 ambi=2 { CB:29.2 } :: atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } atom: 458 44E-HB3 B 2.21 ambi=2 { CB:29.2 } :: atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } atom: 458 44E-HB3 B 2.21 ambi=2 { CB:29.2 } ::sumAvg: 4.975 atom: 457 44E-HB2 B 2.1 ambi=2 { CB:29.2 } atom: 491 47K-QD D 1.6 ambi=2 { CD:29.7 } :: atom: 458 44E-HB3 B 2.21 ambi=2 { CB:29.2 } atom: 491 47K-QD D 1.6 ambi=2 { CD:29.7 } ::sumAvg: 4.56 atom: 457 44E-HB2 B 2.1 ambi=2 { CB:29.2 } atom: 505 48N-HD21 D2 7.04 ambi=2 { ND2:112.3 } :: atom: 457 44E-HB2 B 2.1 ambi=2 { CB:29.2 } atom: 506 48N-HD22 D2 7.75 ambi=2 { ND2:112.3 } :: atom: 458 44E-HB3 B 2.21 ambi=2 { CB:29.2 } atom: 505 48N-HD21 D2 7.04 ambi=2 { ND2:112.3 } :: atom: 458 44E-HB3 B 2.21 ambi=2 { CB:29.2 } atom: 506 48N-HD22 D2 7.75 ambi=2 { ND2:112.3 } ::sumAvg: 4.55 atom: 459 44E-HG2 G 2.31 ambi=2 { CG:36.4 } atom: 491 47K-QD D 1.6 ambi=2 { CD:29.7 } :: atom: 460 44E-HG3 G 2.42 ambi=2 { CG:36.4 } atom: 491 47K-QD D 1.6 ambi=2 { CD:29.7 } ::sumAvg: 4.145 atom: 491 47K-QD D 1.6 ambi=2 { CD:29.7 } atom: 459 44E-HG2 G 2.31 ambi=2 { CG:36.4 } :: atom: 491 47K-QD D 1.6 ambi=2 { CD:29.7 } atom: 460 44E-HG3 G 2.42 ambi=2 { CG:36.4 } ::sumAvg: 4.145 atom: 477 46N-QB B 3.06 ambi=2 { CB:36.9 } atom: 465 45N-H N 8.47 ambi=1 { N:119.5 } ::sumAvg: 4.68 atom: 487 47K-QB B 1.91 ambi=2 { CB:32.2 } atom: 465 45N-H N 8.47 ambi=1 { N:119.5 } ::sumAvg: 4.895 atom: 466 45N-HA A 4.48 ambi=1 { CA:55.6 } atom: 513 49A-HB B 1.5 ambi=1 { CB:19 } ::sumAvg: 4.85 atom: 466 45N-HA A 4.48 ambi=1 { CA:55.6 } atom: 487 47K-QB B 1.91 ambi=2 { CB:32.2 } ::sumAvg: 4.965 atom: 466 45N-HA A 4.48 ambi=1 { CA:55.6 } atom: 511 49A-H N 7.52 ambi=1 { N:121.1 } ::sumAvg: 4.59 atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } atom: 476 46N-HA A 4.38 ambi=1 { CA:55.3 } :: atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } atom: 476 46N-HA A 4.38 ambi=1 { CA:55.3 } ::sumAvg: 4.225 atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } atom: 513 49A-HB B 1.5 ambi=1 { CB:19 } :: atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } atom: 513 49A-HB B 1.5 ambi=1 { CB:19 } ::sumAvg: 4.49 atom: 513 49A-HB B 1.5 ambi=1 { CB:19 } atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } :: atom: 513 49A-HB B 1.5 ambi=1 { CB:19 } atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } ::sumAvg: 4.49 atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } atom: 505 48N-HD21 D2 7.04 ambi=2 { ND2:112.3 } :: atom: 467 45N-HB2 B 3 ambi=2 { CB:37.4 } atom: 506 48N-HD22 D2 7.75 ambi=2 { ND2:112.3 } :: atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } atom: 505 48N-HD21 D2 7.04 ambi=2 { ND2:112.3 } :: atom: 468 45N-HB3 B 3.26 ambi=2 { CB:37.4 } atom: 506 48N-HD22 D2 7.75 ambi=2 { ND2:112.3 } ::sumAvg: 4.92 atom: 526 51N-HB2 B 2.37 ambi=2 { CB:39.9 } atom: 479 46N-HD21 D2 4.55 ambi=2 { ND2:104.6 } :: atom: 527 51N-HB3 B 2.76 ambi=2 { CB:39.9 } atom: 479 46N-HD21 D2 4.55 ambi=2 { ND2:104.6 } :: atom: 526 51N-HB2 B 2.37 ambi=2 { CB:39.9 } atom: 480 46N-HD22 D2 7.24 ambi=2 { ND2:104.6 } :: atom: 527 51N-HB3 B 2.76 ambi=2 { CB:39.9 } atom: 480 46N-HD22 D2 7.24 ambi=2 { ND2:104.6 } ::sumAvg: 4.19 atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } atom: 480 46N-HD22 D2 7.24 ambi=2 { ND2:104.6 } ::sumAvg: 3.61 atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } atom: 480 46N-HD22 D2 7.24 ambi=2 { ND2:104.6 } ::sumAvg: 4.985 atom: 543 53W-HB2 B 2.65 ambi=1 { CB:29.6 } atom: 479 46N-HD21 D2 4.55 ambi=2 { ND2:104.6 } :: atom: 544 53W-HB3 B 4.08 ambi=1 { CB:29.6 } atom: 479 46N-HD21 D2 4.55 ambi=2 { ND2:104.6 } :: atom: 543 53W-HB2 B 2.65 ambi=1 { CB:29.6 } atom: 480 46N-HD22 D2 7.24 ambi=2 { ND2:104.6 } :: atom: 544 53W-HB3 B 4.08 ambi=1 { CB:29.6 } atom: 480 46N-HD22 D2 7.24 ambi=2 { ND2:104.6 } ::sumAvg: 4.235 atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 479 46N-HD21 D2 4.55 ambi=2 { ND2:104.6 } :: atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 480 46N-HD22 D2 7.24 ambi=2 { ND2:104.6 } ::sumAvg: 4.89 atom: 503 48N-QB B 2.93 ambi=2 { CB:38.1 } atom: 485 47K-H N 8.89 ambi=1 { N:122.1 } ::sumAvg: 4.86 atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } atom: 485 47K-H N 8.89 ambi=1 { N:122.1 } ::sumAvg: 4.66 atom: 486 47K-HA A 3.93 ambi=1 { CA:60.5 } atom: 502 48N-HA A 4.54 ambi=1 { CA:55.3 } ::sumAvg: 4.73 atom: 502 48N-HA A 4.54 ambi=1 { CA:55.3 } atom: 486 47K-HA A 3.93 ambi=1 { CA:60.5 } ::sumAvg: 4.73 atom: 486 47K-HA A 3.93 ambi=1 { CA:60.5 } atom: 511 49A-H N 7.52 ambi=1 { N:121.1 } ::sumAvg: 4.025 atom: 486 47K-HA A 3.93 ambi=1 { CA:60.5 } atom: 518 50D-HA A 4.38 ambi=1 { CA:55.3 } ::sumAvg: 3.405 atom: 518 50D-HA A 4.38 ambi=1 { CA:55.3 } atom: 486 47K-HA A 3.93 ambi=1 { CA:60.5 } ::sumAvg: 3.405 atom: 486 47K-HA A 3.93 ambi=1 { CA:60.5 } atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } ::sumAvg: 4.57 atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } atom: 486 47K-HA A 3.93 ambi=1 { CA:60.5 } ::sumAvg: 4.57 atom: 513 49A-HB B 1.5 ambi=1 { CB:19 } atom: 519 50D-HB2 B 2.55 ambi=1 { CB:39.1 } ::sumAvg: 4.77 atom: 513 49A-HB B 1.5 ambi=1 { CB:19 } atom: 525 51N-HA A 5.05 ambi=1 { CA:51.8 } ::sumAvg: 4.845 atom: 502 48N-HA A 4.54 ambi=1 { CA:55.3 } atom: 487 47K-QB B 1.91 ambi=2 { CB:32.2 } ::sumAvg: 3.89 atom: 503 48N-QB B 2.93 ambi=2 { CB:38.1 } atom: 487 47K-QB B 1.91 ambi=2 { CB:32.2 } ::sumAvg: 4.5 atom: 487 47K-QB B 1.91 ambi=2 { CB:32.2 } atom: 505 48N-HD21 D2 7.04 ambi=2 { ND2:112.3 } :: atom: 487 47K-QB B 1.91 ambi=2 { CB:32.2 } atom: 506 48N-HD22 D2 7.75 ambi=2 { ND2:112.3 } ::sumAvg: 4.72 atom: 487 47K-QB B 1.91 ambi=2 { CB:32.2 } atom: 511 49A-H N 7.52 ambi=1 { N:121.1 } ::sumAvg: 4.47 atom: 487 47K-QB B 1.91 ambi=2 { CB:32.2 } atom: 517 50D-H N 7.96 ambi=1 { N:116.9 } ::sumAvg: 4.55 atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } atom: 489 47K-HG2 G 1.31 ambi=2 { CG:25.6 } :: atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } atom: 490 47K-HG3 G 1.59 ambi=2 { CG:25.6 } ::sumAvg: 4.455 atom: 536 52D-HB2 B 2.19 ambi=1 { CB:40.5 } atom: 493 47K-QE E 2.84 ambi=2 { CE:41.8 } ::sumAvg: 4.47 atom: 503 48N-QB B 2.93 ambi=2 { CB:38.1 } atom: 513 49A-HB B 1.5 ambi=1 { CB:19 } ::sumAvg: 3.81 atom: 503 48N-QB B 2.93 ambi=2 { CB:38.1 } atom: 517 50D-H N 7.96 ambi=1 { N:116.9 } ::sumAvg: 4.395 atom: 520 50D-HB3 B 3.11 ambi=1 { CB:39.1 } atom: 526 51N-HB2 B 2.37 ambi=2 { CB:39.9 } ::sumAvg: 4.78 atom: 526 51N-HB2 B 2.37 ambi=2 { CB:39.9 } atom: 520 50D-HB3 B 3.11 ambi=1 { CB:39.1 } ::sumAvg: 4.78 atom: 520 50D-HB3 B 3.11 ambi=1 { CB:39.1 } atom: 525 51N-HA A 5.05 ambi=1 { CA:51.8 } ::sumAvg: 4.56 atom: 525 51N-HA A 5.05 ambi=1 { CA:51.8 } atom: 520 50D-HB3 B 3.11 ambi=1 { CB:39.1 } ::sumAvg: 4.56 atom: 526 51N-HB2 B 2.37 ambi=2 { CB:39.9 } atom: 517 50D-H N 7.96 ambi=1 { N:116.9 } :: atom: 527 51N-HB3 B 2.76 ambi=2 { CB:39.9 } atom: 517 50D-H N 7.96 ambi=1 { N:116.9 } ::sumAvg: 4.985 atom: 518 50D-HA A 4.38 ambi=1 { CA:55.3 } atom: 525 51N-HA A 5.05 ambi=1 { CA:51.8 } ::sumAvg: 4.4 atom: 518 50D-HA A 4.38 ambi=1 { CA:55.3 } atom: 534 52D-H N 8.49 ambi=1 { N:120 } ::sumAvg: 4.545 atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } atom: 524 51N-H N 8.55 ambi=1 { N:116.4 } ::sumAvg: 4.445 atom: 536 52D-HB2 B 2.19 ambi=1 { CB:40.5 } atom: 524 51N-H N 8.55 ambi=1 { N:116.4 } ::sumAvg: 4.74 atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } atom: 526 51N-HB2 B 2.37 ambi=2 { CB:39.9 } :: atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } atom: 527 51N-HB3 B 2.76 ambi=2 { CB:39.9 } ::sumAvg: 4.43 atom: 526 51N-HB2 B 2.37 ambi=2 { CB:39.9 } atom: 545 53W-HD1 D1 7.87 ambi=1 { CD1:128.3 } :: atom: 527 51N-HB3 B 2.76 ambi=2 { CB:39.9 } atom: 545 53W-HD1 D1 7.87 ambi=1 { CD1:128.3 } ::sumAvg: 4.535 atom: 545 53W-HD1 D1 7.87 ambi=1 { CD1:128.3 } atom: 526 51N-HB2 B 2.37 ambi=2 { CB:39.9 } :: atom: 545 53W-HD1 D1 7.87 ambi=1 { CD1:128.3 } atom: 527 51N-HB3 B 2.76 ambi=2 { CB:39.9 } ::sumAvg: 4.535 atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } atom: 525 51N-HA A 5.05 ambi=1 { CA:51.8 } ::sumAvg: 4.675 atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } atom: 543 53W-HB2 B 2.65 ambi=1 { CB:29.6 } ::sumAvg: 4.785 atom: 543 53W-HB2 B 2.65 ambi=1 { CB:29.6 } atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } ::sumAvg: 4.785 atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } atom: 545 53W-HD1 D1 7.87 ambi=1 { CD1:128.3 } ::sumAvg: 4.675 atom: 535 52D-HA A 4.4 ambi=1 { CA:54.1 } atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } ::sumAvg: 4.23 atom: 536 52D-HB2 B 2.19 ambi=1 { CB:40.5 } atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } :: atom: 537 52D-HB3 B 2.96 ambi=1 { CB:40.5 } atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } ::sumAvg: 3.375 atom: 537 52D-HB3 B 2.96 ambi=1 { CB:40.5 } atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } ::sumAvg: 4.855 atom: 537 52D-HB3 B 2.96 ambi=1 { CB:40.5 } atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } ::sumAvg: 4.415 atom: 561 54F-HA A 4.91 ambi=1 { CA:57 } atom: 578 55R-HA A 4.37 ambi=1 { CA:54.8 } ::sumAvg: 4.4 atom: 578 55R-HA A 4.37 ambi=1 { CA:54.8 } atom: 561 54F-HA A 4.91 ambi=1 { CA:57 } ::sumAvg: 4.4 atom: 561 54F-HA A 4.91 ambi=1 { CA:57 } atom: 579 55R-QB B 1.82 ambi=2 { CB:33.8 } ::sumAvg: 4.295 atom: 579 55R-QB B 1.82 ambi=2 { CB:33.8 } atom: 561 54F-HA A 4.91 ambi=1 { CA:57 } ::sumAvg: 4.295 atom: 561 54F-HA A 4.91 ambi=1 { CA:57 } atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } ::sumAvg: 4.98 atom: 561 54F-HA A 4.91 ambi=1 { CA:57 } atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } :: atom: 561 54F-HA A 4.91 ambi=1 { CA:57 } atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } ::sumAvg: 4.25 atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } atom: 561 54F-HA A 4.91 ambi=1 { CA:57 } ::sumAvg: 3.445 atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } atom: 561 54F-HA A 4.91 ambi=1 { CA:57 } ::sumAvg: 3.3 atom: 756 70W-HH2 H2 6.84 ambi=1 { CH2:123.5 } atom: 561 54F-HA A 4.91 ambi=1 { CA:57 } ::sumAvg: 4.72 atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } :: atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } ::sumAvg: 4.38 atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } atom: 578 55R-HA A 4.37 ambi=1 { CA:54.8 } :: atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } atom: 578 55R-HA A 4.37 ambi=1 { CA:54.8 } ::sumAvg: 4.54 atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } :: atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } ::sumAvg: 4.855 atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } :: atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } ::sumAvg: 4.855 atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } :: atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } ::sumAvg: 4.625 atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } :: atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } :: atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } :: atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } ::sumAvg: 3.865 atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } :: atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } :: atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } :: atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } ::sumAvg: 3.865 atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } :: atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } ::sumAvg: 4.885 atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } atom: 1536 142L-HD1 D1 0.87 ambi=2 { CD1:23 } :: atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } atom: 1537 142L-HD2 D2 1.16 ambi=2 { CD2:27.2 } :: atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } atom: 1536 142L-HD1 D1 0.87 ambi=2 { CD1:23 } :: atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } atom: 1537 142L-HD2 D2 1.16 ambi=2 { CD2:27.2 } ::sumAvg: 4.815 atom: 561 54F-HA A 4.91 ambi=1 { CA:57 } atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } ::sumAvg: 4.835 atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } :: atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } ::sumAvg: 4.485 atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } ::sumAvg: 2.86 atom: 543 53W-HB2 B 2.65 ambi=1 { CB:29.6 } atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } :: atom: 544 53W-HB3 B 4.08 ambi=1 { CB:29.6 } atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } ::sumAvg: 2.96 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 541 53W-H N 7.49 ambi=1 { N:121.9 } ::sumAvg: 4.035 atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } atom: 561 54F-HA A 4.91 ambi=1 { CA:57 } ::sumAvg: 4.49 atom: 561 54F-HA A 4.91 ambi=1 { CA:57 } atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } ::sumAvg: 4.49 atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } :: atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } ::sumAvg: 4.855 atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } :: atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } ::sumAvg: 4.855 atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } atom: 545 53W-HD1 D1 7.87 ambi=1 { CD1:128.3 } ::sumAvg: 3.895 atom: 545 53W-HD1 D1 7.87 ambi=1 { CD1:128.3 } atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } ::sumAvg: 3.895 atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } atom: 547 53W-HE3 E3 7.9 ambi=1 { CE3:122.4 } ::sumAvg: 3.99 atom: 547 53W-HE3 E3 7.9 ambi=1 { CE3:122.4 } atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } ::sumAvg: 3.99 atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } ::sumAvg: 3.305 atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } atom: 747 70W-H N 9.24 ambi=1 { N:117.5 } ::sumAvg: 3.875 atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } atom: 749 70W-HB2 B 3.11 ambi=1 { CB:32.6 } ::sumAvg: 4.365 atom: 749 70W-HB2 B 3.11 ambi=1 { CB:32.6 } atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } ::sumAvg: 4.365 atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } ::sumAvg: 4.895 atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } atom: 542 53W-HA A 4.27 ambi=1 { CA:56.9 } ::sumAvg: 4.895 atom: 543 53W-HB2 B 2.65 ambi=1 { CB:29.6 } atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } :: atom: 544 53W-HB3 B 4.08 ambi=1 { CB:29.6 } atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } :: atom: 544 53W-HB3 B 4.08 ambi=1 { CB:29.6 } atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } ::sumAvg: 4.265 atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } atom: 543 53W-HB2 B 2.65 ambi=1 { CB:29.6 } :: atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } atom: 544 53W-HB3 B 4.08 ambi=1 { CB:29.6 } :: atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } atom: 544 53W-HB3 B 4.08 ambi=1 { CB:29.6 } ::sumAvg: 4.265 atom: 543 53W-HB2 B 2.65 ambi=1 { CB:29.6 } atom: 546 53W-HE1 E1 9.85 ambi=1 { NE1:127.8 } :: atom: 544 53W-HB3 B 4.08 ambi=1 { CB:29.6 } atom: 546 53W-HE1 E1 9.85 ambi=1 { NE1:127.8 } ::sumAvg: 4.995 atom: 543 53W-HB2 B 2.65 ambi=1 { CB:29.6 } atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } :: atom: 544 53W-HB3 B 4.08 ambi=1 { CB:29.6 } atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } ::sumAvg: 3.295 atom: 543 53W-HB2 B 2.65 ambi=1 { CB:29.6 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } :: atom: 544 53W-HB3 B 4.08 ambi=1 { CB:29.6 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } ::sumAvg: 4.34 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 543 53W-HB2 B 2.65 ambi=1 { CB:29.6 } :: atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 544 53W-HB3 B 4.08 ambi=1 { CB:29.6 } ::sumAvg: 4.34 atom: 543 53W-HB2 B 2.65 ambi=1 { CB:29.6 } atom: 747 70W-H N 9.24 ambi=1 { N:117.5 } :: atom: 544 53W-HB3 B 4.08 ambi=1 { CB:29.6 } atom: 747 70W-H N 9.24 ambi=1 { N:117.5 } ::sumAvg: 4.615 atom: 550 53W-HH2 H2 7.04 ambi=1 { CH2:123.3 } atom: 546 53W-HE1 E1 9.85 ambi=1 { NE1:127.8 } ::sumAvg: 4.975 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 546 53W-HE1 E1 9.85 ambi=1 { NE1:127.8 } ::sumAvg: 4.945 atom: 547 53W-HE3 E3 7.9 ambi=1 { CE3:122.4 } atom: 561 54F-HA A 4.91 ambi=1 { CA:57 } ::sumAvg: 4.155 atom: 561 54F-HA A 4.91 ambi=1 { CA:57 } atom: 547 53W-HE3 E3 7.9 ambi=1 { CE3:122.4 } ::sumAvg: 4.155 atom: 547 53W-HE3 E3 7.9 ambi=1 { CE3:122.4 } atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } :: atom: 547 53W-HE3 E3 7.9 ambi=1 { CE3:122.4 } atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } ::sumAvg: 2.625 atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } atom: 547 53W-HE3 E3 7.9 ambi=1 { CE3:122.4 } :: atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } atom: 547 53W-HE3 E3 7.9 ambi=1 { CE3:122.4 } ::sumAvg: 2.625 atom: 547 53W-HE3 E3 7.9 ambi=1 { CE3:122.4 } atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } ::sumAvg: 4.185 atom: 547 53W-HE3 E3 7.9 ambi=1 { CE3:122.4 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } ::sumAvg: 3.22 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 547 53W-HE3 E3 7.9 ambi=1 { CE3:122.4 } ::sumAvg: 3.22 atom: 547 53W-HE3 E3 7.9 ambi=1 { CE3:122.4 } atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } ::sumAvg: 3.895 atom: 547 53W-HE3 E3 7.9 ambi=1 { CE3:122.4 } atom: 548 53W-HZ2 Z2 7.45 ambi=1 { CZ2:113.7 } ::sumAvg: 4.99 atom: 548 53W-HZ2 Z2 7.45 ambi=1 { CZ2:113.7 } atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } ::sumAvg: 4.295 atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } atom: 548 53W-HZ2 Z2 7.45 ambi=1 { CZ2:113.7 } ::sumAvg: 4.295 atom: 548 53W-HZ2 Z2 7.45 ambi=1 { CZ2:113.7 } atom: 1500 138M-HB3 B 2.46 ambi=1 { CB:31.6 } ::sumAvg: 4.35 atom: 1500 138M-HB3 B 2.46 ambi=1 { CB:31.6 } atom: 548 53W-HZ2 Z2 7.45 ambi=1 { CZ2:113.7 } ::sumAvg: 4.35 atom: 548 53W-HZ2 Z2 7.45 ambi=1 { CZ2:113.7 } atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } :: atom: 548 53W-HZ2 Z2 7.45 ambi=1 { CZ2:113.7 } atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } ::sumAvg: 3.09 atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } atom: 548 53W-HZ2 Z2 7.45 ambi=1 { CZ2:113.7 } :: atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } atom: 548 53W-HZ2 Z2 7.45 ambi=1 { CZ2:113.7 } ::sumAvg: 3.09 atom: 1584 146L-HD1 D1 0.88 ambi=2 { CD1:23 } atom: 548 53W-HZ2 Z2 7.45 ambi=1 { CZ2:113.7 } :: atom: 1585 146L-HD2 D2 1.14 ambi=2 { CD2:27.6 } atom: 548 53W-HZ2 Z2 7.45 ambi=1 { CZ2:113.7 } ::sumAvg: 4.755 atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } :: atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } ::sumAvg: 4.265 atom: 562 54F-HB2 B 2.1 ambi=2 { CB:40.9 } atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } :: atom: 563 54F-HB3 B 2.5 ambi=2 { CB:40.9 } atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } ::sumAvg: 4.265 atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } ::sumAvg: 3.73 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } ::sumAvg: 3.73 atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } :: atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } ::sumAvg: 3.905 atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } atom: 747 70W-H N 9.24 ambi=1 { N:117.5 } ::sumAvg: 4.935 atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } atom: 1500 138M-HB3 B 2.46 ambi=1 { CB:31.6 } ::sumAvg: 4.485 atom: 1500 138M-HB3 B 2.46 ambi=1 { CB:31.6 } atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } ::sumAvg: 4.485 atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } :: atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } ::sumAvg: 4.095 atom: 1535 142L-HG G 1.88 ambi=1 { CG:27 } atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } ::sumAvg: 3.09 atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } atom: 1544 143G-H N 9.07 ambi=1 { N:105.7 } ::sumAvg: 4.625 atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } :: atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } ::sumAvg: 3.745 atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } :: atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } atom: 549 53W-HZ3 Z3 6.87 ambi=1 { CZ3:120.2 } ::sumAvg: 3.745 atom: 547 53W-HE3 E3 7.9 ambi=1 { CE3:122.4 } atom: 550 53W-HH2 H2 7.04 ambi=1 { CH2:123.3 } ::sumAvg: 4.26 atom: 1498 138M-HA A 4.36 ambi=1 { CA:57 } atom: 550 53W-HH2 H2 7.04 ambi=1 { CH2:123.3 } ::sumAvg: 4.115 atom: 550 53W-HH2 H2 7.04 ambi=1 { CH2:123.3 } atom: 1500 138M-HB3 B 2.46 ambi=1 { CB:31.6 } ::sumAvg: 4.435 atom: 1500 138M-HB3 B 2.46 ambi=1 { CB:31.6 } atom: 550 53W-HH2 H2 7.04 ambi=1 { CH2:123.3 } ::sumAvg: 4.435 atom: 550 53W-HH2 H2 7.04 ambi=1 { CH2:123.3 } atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } ::sumAvg: 4.09 atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } atom: 550 53W-HH2 H2 7.04 ambi=1 { CH2:123.3 } ::sumAvg: 4.09 atom: 550 53W-HH2 H2 7.04 ambi=1 { CH2:123.3 } atom: 1508 139A-HA A 4.49 ambi=1 { CA:55.8 } ::sumAvg: 4.13 atom: 550 53W-HH2 H2 7.04 ambi=1 { CH2:123.3 } atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } :: atom: 550 53W-HH2 H2 7.04 ambi=1 { CH2:123.3 } atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } ::sumAvg: 2.9 atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } atom: 550 53W-HH2 H2 7.04 ambi=1 { CH2:123.3 } :: atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } atom: 550 53W-HH2 H2 7.04 ambi=1 { CH2:123.3 } ::sumAvg: 2.9 atom: 550 53W-HH2 H2 7.04 ambi=1 { CH2:123.3 } atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } :: atom: 550 53W-HH2 H2 7.04 ambi=1 { CH2:123.3 } atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } ::sumAvg: 4.825 atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } atom: 550 53W-HH2 H2 7.04 ambi=1 { CH2:123.3 } :: atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } atom: 550 53W-HH2 H2 7.04 ambi=1 { CH2:123.3 } ::sumAvg: 4.825 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } ::sumAvg: 3.525 atom: 578 55R-HA A 4.37 ambi=1 { CA:54.8 } atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } ::sumAvg: 4.835 atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } ::sumAvg: 4.845 atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } atom: 560 54F-H N 6.81 ambi=1 { N:115.3 } ::sumAvg: 4.975 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 577 55R-H N 8.75 ambi=1 { N:118.8 } ::sumAvg: 3.49 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 578 55R-HA A 4.37 ambi=1 { CA:54.8 } ::sumAvg: 3.275 atom: 578 55R-HA A 4.37 ambi=1 { CA:54.8 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } ::sumAvg: 3.275 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 579 55R-QB B 1.82 ambi=2 { CB:33.8 } ::sumAvg: 4.64 atom: 579 55R-QB B 1.82 ambi=2 { CB:33.8 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } ::sumAvg: 4.64 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 591 56L-H N 8.7 ambi=1 { N:123.1 } ::sumAvg: 3.825 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } :: atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } ::sumAvg: 3.14 atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } :: atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } ::sumAvg: 3.14 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 595 56L-HG G 1.83 ambi=1 { CG:27.3 } ::sumAvg: 4.24 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } ::sumAvg: 3.435 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } :: atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } ::sumAvg: 4.6 atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } :: atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } ::sumAvg: 4.6 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } ::sumAvg: 4.935 atom: 1500 138M-HB3 B 2.46 ambi=1 { CB:31.6 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } ::sumAvg: 4.665 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } ::sumAvg: 4.045 atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } ::sumAvg: 4.045 atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 1536 142L-HD1 D1 0.87 ambi=2 { CD1:23 } :: atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } atom: 1537 142L-HD2 D2 1.16 ambi=2 { CD2:27.2 } ::sumAvg: 4.975 atom: 1536 142L-HD1 D1 0.87 ambi=2 { CD1:23 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } :: atom: 1537 142L-HD2 D2 1.16 ambi=2 { CD2:27.2 } atom: 564 54F-QD D 5.47 ambi=3 { CD1:132 } ::sumAvg: 4.975 atom: 568 54F-HZ Z 5.65 ambi=1 { CZ:131.9 } atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } :: atom: 568 54F-HZ Z 5.65 ambi=1 { CZ:131.9 } atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } ::sumAvg: 4.695 atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } atom: 568 54F-HZ Z 5.65 ambi=1 { CZ:131.9 } :: atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } atom: 568 54F-HZ Z 5.65 ambi=1 { CZ:131.9 } ::sumAvg: 4.695 atom: 568 54F-HZ Z 5.65 ambi=1 { CZ:131.9 } atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } ::sumAvg: 4.085 atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } atom: 568 54F-HZ Z 5.65 ambi=1 { CZ:131.9 } ::sumAvg: 4.085 atom: 568 54F-HZ Z 5.65 ambi=1 { CZ:131.9 } atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } ::sumAvg: 4.375 atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } atom: 568 54F-HZ Z 5.65 ambi=1 { CZ:131.9 } ::sumAvg: 4.375 atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 578 55R-HA A 4.37 ambi=1 { CA:54.8 } ::sumAvg: 4.375 atom: 578 55R-HA A 4.37 ambi=1 { CA:54.8 } atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } ::sumAvg: 4.375 atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 591 56L-H N 8.7 ambi=1 { N:123.1 } ::sumAvg: 4.135 atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } :: atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } ::sumAvg: 3.415 atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } :: atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } ::sumAvg: 3.415 atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } ::sumAvg: 3.47 atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 1468 135A-HA A 3.75 ambi=1 { CA:55.6 } ::sumAvg: 4.91 atom: 1468 135A-HA A 3.75 ambi=1 { CA:55.6 } atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } ::sumAvg: 4.91 atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } ::sumAvg: 4.665 atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } ::sumAvg: 4.665 atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 1500 138M-HB3 B 2.46 ambi=1 { CB:31.6 } ::sumAvg: 4.72 atom: 1500 138M-HB3 B 2.46 ambi=1 { CB:31.6 } atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } ::sumAvg: 4.72 atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } ::sumAvg: 3.84 atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } atom: 566 54F-QE E 5.55 ambi=3 { CE1:133.7 } ::sumAvg: 3.84 atom: 632 60K-HA A 3.96 ambi=1 { CA:59.8 } atom: 639 60K-QE E 3 ambi=2 { CE:41.8 } ::sumAvg: 4.605 atom: 632 60K-HA A 3.96 ambi=1 { CA:59.8 } atom: 657 62G-H N 7.82 ambi=1 { N:107.1 } ::sumAvg: 4.1 atom: 633 60K-HB2 B 1.81 ambi=2 { CB:31.8 } atom: 650 61E-HB3 B 2.23 ambi=2 { CB:29.6 } ::sumAvg: 4.845 atom: 650 61E-HB3 B 2.23 ambi=2 { CB:29.6 } atom: 633 60K-HB2 B 1.81 ambi=2 { CB:31.8 } ::sumAvg: 4.845 atom: 633 60K-HB2 B 1.81 ambi=2 { CB:31.8 } atom: 657 62G-H N 7.82 ambi=1 { N:107.1 } :: atom: 634 60K-HB3 B 1.89 ambi=2 { CB:31.8 } atom: 657 62G-H N 7.82 ambi=1 { N:107.1 } ::sumAvg: 4.91 atom: 592 56L-HA A 5.07 ambi=1 { CA:54.3 } atom: 577 55R-H N 8.75 ambi=1 { N:118.8 } ::sumAvg: 4.71 atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } atom: 577 55R-H N 8.75 ambi=1 { N:118.8 } ::sumAvg: 4.395 atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } atom: 577 55R-H N 8.75 ambi=1 { N:118.8 } :: atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } atom: 577 55R-H N 8.75 ambi=1 { N:118.8 } ::sumAvg: 4.73 atom: 725 68K-HA A 5.61 ambi=1 { CA:53.9 } atom: 577 55R-H N 8.75 ambi=1 { N:118.8 } ::sumAvg: 4.965 atom: 726 68K-HB2 B 1.44 ambi=1 { CB:38.2 } atom: 577 55R-H N 8.75 ambi=1 { N:118.8 } :: atom: 727 68K-HB3 B 1.49 ambi=1 { CB:38.2 } atom: 577 55R-H N 8.75 ambi=1 { N:118.8 } ::sumAvg: 4.505 atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } atom: 577 55R-H N 8.75 ambi=1 { N:118.8 } ::sumAvg: 4.245 atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } atom: 577 55R-H N 8.75 ambi=1 { N:118.8 } ::sumAvg: 2.82 atom: 756 70W-HH2 H2 6.84 ambi=1 { CH2:123.5 } atom: 577 55R-H N 8.75 ambi=1 { N:118.8 } ::sumAvg: 3.98 atom: 578 55R-HA A 4.37 ambi=1 { CA:54.8 } atom: 592 56L-HA A 5.07 ambi=1 { CA:54.3 } ::sumAvg: 4.4 atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } atom: 578 55R-HA A 4.37 ambi=1 { CA:54.8 } :: atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } atom: 578 55R-HA A 4.37 ambi=1 { CA:54.8 } ::sumAvg: 4.27 atom: 578 55R-HA A 4.37 ambi=1 { CA:54.8 } atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } ::sumAvg: 4.66 atom: 578 55R-HA A 4.37 ambi=1 { CA:54.8 } atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } ::sumAvg: 4.7 atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } atom: 578 55R-HA A 4.37 ambi=1 { CA:54.8 } ::sumAvg: 4.7 atom: 579 55R-QB B 1.82 ambi=2 { CB:33.8 } atom: 585 55R-HE E 7.37 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.525 atom: 579 55R-QB B 1.82 ambi=2 { CB:33.8 } atom: 592 56L-HA A 5.07 ambi=1 { CA:54.3 } ::sumAvg: 4.495 atom: 579 55R-QB B 1.82 ambi=2 { CB:33.8 } atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } :: atom: 579 55R-QB B 1.82 ambi=2 { CB:33.8 } atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } ::sumAvg: 4.755 atom: 579 55R-QB B 1.82 ambi=2 { CB:33.8 } atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } ::sumAvg: 4.98 atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } atom: 579 55R-QB B 1.82 ambi=2 { CB:33.8 } ::sumAvg: 4.98 atom: 579 55R-QB B 1.82 ambi=2 { CB:33.8 } atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } ::sumAvg: 2.9 atom: 581 55R-HG2 G 1.6 ambi=2 { CG:26.9 } atom: 585 55R-HE E 7.37 ambi=1 {attached_atom is not_assigned} :: atom: 582 55R-HG3 G 1.74 ambi=2 { CG:26.9 } atom: 585 55R-HE E 7.37 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.775 atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } atom: 581 55R-HG2 G 1.6 ambi=2 { CG:26.9 } :: atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } atom: 582 55R-HG3 G 1.74 ambi=2 { CG:26.9 } ::sumAvg: 3.905 atom: 730 68K-HD2 D 1.55 ambi=2 { CD:29.6 } atom: 583 55R-QD D 3.25 ambi=2 { CD:42.6 } :: atom: 731 68K-HD3 D 1.68 ambi=2 { CD:29.6 } atom: 583 55R-QD D 3.25 ambi=2 { CD:42.6 } ::sumAvg: 4.51 atom: 583 55R-QD D 3.25 ambi=2 { CD:42.6 } atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } ::sumAvg: 4.315 atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } atom: 583 55R-QD D 3.25 ambi=2 { CD:42.6 } ::sumAvg: 4.315 atom: 756 70W-HH2 H2 6.84 ambi=1 { CH2:123.5 } atom: 583 55R-QD D 3.25 ambi=2 { CD:42.6 } ::sumAvg: 3.195 atom: 605 57E-HA A 4.51 ambi=1 { CA:54.6 } atom: 591 56L-H N 8.7 ambi=1 { N:123.1 } ::sumAvg: 4.815 atom: 608 57E-HG2 G 1.89 ambi=2 { CG:36.3 } atom: 591 56L-H N 8.7 ambi=1 { N:123.1 } :: atom: 609 57E-HG3 G 2.03 ambi=2 { CG:36.3 } atom: 591 56L-H N 8.7 ambi=1 { N:123.1 } ::sumAvg: 4.265 atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } atom: 591 56L-H N 8.7 ambi=1 { N:123.1 } :: atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } atom: 591 56L-H N 8.7 ambi=1 { N:123.1 } ::sumAvg: 4.755 atom: 592 56L-HA A 5.07 ambi=1 { CA:54.3 } atom: 605 57E-HA A 4.51 ambi=1 { CA:54.6 } ::sumAvg: 4.395 atom: 605 57E-HA A 4.51 ambi=1 { CA:54.6 } atom: 592 56L-HA A 5.07 ambi=1 { CA:54.3 } ::sumAvg: 4.395 atom: 592 56L-HA A 5.07 ambi=1 { CA:54.3 } atom: 606 57E-HB2 B 1.55 ambi=1 { CB:34.1 } ::sumAvg: 4.53 atom: 606 57E-HB2 B 1.55 ambi=1 { CB:34.1 } atom: 592 56L-HA A 5.07 ambi=1 { CA:54.3 } ::sumAvg: 4.53 atom: 608 57E-HG2 G 1.89 ambi=2 { CG:36.3 } atom: 592 56L-HA A 5.07 ambi=1 { CA:54.3 } :: atom: 609 57E-HG3 G 2.03 ambi=2 { CG:36.3 } atom: 592 56L-HA A 5.07 ambi=1 { CA:54.3 } ::sumAvg: 3.765 atom: 689 65W-HE3 E3 7.03 ambi=1 { CE3:119.8 } atom: 592 56L-HA A 5.07 ambi=1 { CA:54.3 } ::sumAvg: 4.555 atom: 592 56L-HA A 5.07 ambi=1 { CA:54.3 } atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } ::sumAvg: 4.76 atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } atom: 592 56L-HA A 5.07 ambi=1 { CA:54.3 } ::sumAvg: 4.76 atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } atom: 605 57E-HA A 4.51 ambi=1 { CA:54.6 } :: atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } atom: 605 57E-HA A 4.51 ambi=1 { CA:54.6 } ::sumAvg: 4.585 atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } :: atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } ::sumAvg: 4.375 atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } :: atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } ::sumAvg: 4.375 atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } :: atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } :: atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } :: atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } ::sumAvg: 4.1 atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } :: atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } ::sumAvg: 4.455 atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } :: atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } ::sumAvg: 4.655 atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } atom: 932 84F-HZ Z 6.45 ambi=1 { CZ:127.8 } :: atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } atom: 932 84F-HZ Z 6.45 ambi=1 { CZ:127.8 } ::sumAvg: 4.975 atom: 932 84F-HZ Z 6.45 ambi=1 { CZ:127.8 } atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } :: atom: 932 84F-HZ Z 6.45 ambi=1 { CZ:127.8 } atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } ::sumAvg: 4.975 atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 593 56L-HB2 B 1.83 ambi=2 { CB:48.2 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } :: atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 594 56L-HB3 B 1.86 ambi=2 { CB:48.2 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } ::sumAvg: 4.78 atom: 595 56L-HG G 1.83 ambi=1 { CG:27.3 } atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } ::sumAvg: 4.32 atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } atom: 595 56L-HG G 1.83 ambi=1 { CG:27.3 } ::sumAvg: 4.32 atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } atom: 595 56L-HG G 1.83 ambi=1 { CG:27.3 } ::sumAvg: 4.74 atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } atom: 605 57E-HA A 4.51 ambi=1 { CA:54.6 } ::sumAvg: 4.6 atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } atom: 606 57E-HB2 B 1.55 ambi=1 { CB:34.1 } ::sumAvg: 4.85 atom: 606 57E-HB2 B 1.55 ambi=1 { CB:34.1 } atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } ::sumAvg: 4.85 atom: 608 57E-HG2 G 1.89 ambi=2 { CG:36.3 } atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } :: atom: 609 57E-HG3 G 2.03 ambi=2 { CG:36.3 } atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } ::sumAvg: 4.905 atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } ::sumAvg: 3.465 atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } atom: 684 65W-HA A 4.72 ambi=1 { CA:55.4 } ::sumAvg: 4.315 atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } atom: 706 66F-QD D 6.87 ambi=3 { CD1:131.7 } ::sumAvg: 4.965 atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } atom: 903 82I-HB B 1.75 ambi=1 { CB:42.8 } ::sumAvg: 4.995 atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } ::sumAvg: 4.19 atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } atom: 924 84F-H N 8.46 ambi=1 { N:112.7 } ::sumAvg: 4.66 atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } ::sumAvg: 4.95 atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } ::sumAvg: 4.95 atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } ::sumAvg: 3.115 atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } ::sumAvg: 4.585 atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } ::sumAvg: 3.92 atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } ::sumAvg: 3.92 atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } atom: 1468 135A-HA A 3.75 ambi=1 { CA:55.6 } ::sumAvg: 4.47 atom: 1468 135A-HA A 3.75 ambi=1 { CA:55.6 } atom: 596 56L-QD D 0.91 ambi=2 { QCD:24.25 } ::sumAvg: 4.47 atom: 615 58S-HA A 4.75 ambi=1 { CA:55.8 } atom: 604 57E-H N 8.9 ambi=1 { N:122 } ::sumAvg: 4.775 atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } atom: 604 57E-H N 8.9 ambi=1 { N:122 } ::sumAvg: 4.805 atom: 684 65W-HA A 4.72 ambi=1 { CA:55.4 } atom: 604 57E-H N 8.9 ambi=1 { N:122 } ::sumAvg: 4.765 atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } atom: 604 57E-H N 8.9 ambi=1 { N:122 } :: atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } atom: 604 57E-H N 8.9 ambi=1 { N:122 } ::sumAvg: 4.235 atom: 689 65W-HE3 E3 7.03 ambi=1 { CE3:119.8 } atom: 604 57E-H N 8.9 ambi=1 { N:122 } ::sumAvg: 3.955 atom: 706 66F-QD D 6.87 ambi=3 { CD1:131.7 } atom: 604 57E-H N 8.9 ambi=1 { N:122 } ::sumAvg: 4.275 atom: 605 57E-HA A 4.51 ambi=1 { CA:54.6 } atom: 617 58S-HB3 B 2.44 ambi=1 { CB:66.8 } ::sumAvg: 4.17 atom: 605 57E-HA A 4.51 ambi=1 { CA:54.6 } atom: 689 65W-HE3 E3 7.03 ambi=1 { CE3:119.8 } ::sumAvg: 4.385 atom: 689 65W-HE3 E3 7.03 ambi=1 { CE3:119.8 } atom: 605 57E-HA A 4.51 ambi=1 { CA:54.6 } ::sumAvg: 4.385 atom: 605 57E-HA A 4.51 ambi=1 { CA:54.6 } atom: 691 65W-HZ3 Z3 6.65 ambi=1 { CZ3:120.1 } ::sumAvg: 4.62 atom: 691 65W-HZ3 Z3 6.65 ambi=1 { CZ3:120.1 } atom: 605 57E-HA A 4.51 ambi=1 { CA:54.6 } ::sumAvg: 4.62 atom: 605 57E-HA A 4.51 ambi=1 { CA:54.6 } atom: 702 66F-H N 8.53 ambi=1 { N:117 } ::sumAvg: 4.87 atom: 606 57E-HB2 B 1.55 ambi=1 { CB:34.1 } atom: 702 66F-H N 8.53 ambi=1 { N:117 } ::sumAvg: 3.885 atom: 606 57E-HB2 B 1.55 ambi=1 { CB:34.1 } atom: 710 66F-HZ Z 6.92 ambi=1 { CZ:129.4 } :: atom: 607 57E-HB3 B 1.81 ambi=1 { CB:34.1 } atom: 710 66F-HZ Z 6.92 ambi=1 { CZ:129.4 } ::sumAvg: 3.93 atom: 710 66F-HZ Z 6.92 ambi=1 { CZ:129.4 } atom: 606 57E-HB2 B 1.55 ambi=1 { CB:34.1 } :: atom: 710 66F-HZ Z 6.92 ambi=1 { CZ:129.4 } atom: 607 57E-HB3 B 1.81 ambi=1 { CB:34.1 } ::sumAvg: 3.93 atom: 606 57E-HB2 B 1.55 ambi=1 { CB:34.1 } atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } :: atom: 606 57E-HB2 B 1.55 ambi=1 { CB:34.1 } atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } ::sumAvg: 4.45 atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } atom: 606 57E-HB2 B 1.55 ambi=1 { CB:34.1 } :: atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } atom: 606 57E-HB2 B 1.55 ambi=1 { CB:34.1 } ::sumAvg: 4.45 atom: 608 57E-HG2 G 1.89 ambi=2 { CG:36.3 } atom: 706 66F-QD D 6.87 ambi=3 { CD1:131.7 } :: atom: 609 57E-HG3 G 2.03 ambi=2 { CG:36.3 } atom: 706 66F-QD D 6.87 ambi=3 { CD1:131.7 } ::sumAvg: 4.925 atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } atom: 608 57E-HG2 G 1.89 ambi=2 { CG:36.3 } :: atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } atom: 608 57E-HG2 G 1.89 ambi=2 { CG:36.3 } :: atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } atom: 609 57E-HG3 G 2.03 ambi=2 { CG:36.3 } :: atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } atom: 609 57E-HG3 G 2.03 ambi=2 { CG:36.3 } ::sumAvg: 4.23 atom: 708 66F-QE E 7 ambi=3 { CE1:130 } atom: 614 58S-H N 7.8 ambi=1 { N:111.7 } ::sumAvg: 4.545 atom: 615 58S-HA A 4.75 ambi=1 { CA:55.8 } atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } ::sumAvg: 4.46 atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } atom: 615 58S-HA A 4.75 ambi=1 { CA:55.8 } ::sumAvg: 4.46 atom: 615 58S-HA A 4.75 ambi=1 { CA:55.8 } atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } ::sumAvg: 4.695 atom: 689 65W-HE3 E3 7.03 ambi=1 { CE3:119.8 } atom: 615 58S-HA A 4.75 ambi=1 { CA:55.8 } ::sumAvg: 4.18 atom: 615 58S-HA A 4.75 ambi=1 { CA:55.8 } atom: 706 66F-QD D 6.87 ambi=3 { CD1:131.7 } ::sumAvg: 4.125 atom: 622 59N-HA A 4.76 ambi=1 { CA:51.6 } atom: 616 58S-HB2 B 0.91 ambi=1 { CB:66.8 } ::sumAvg: 4.73 atom: 616 58S-HB2 B 0.91 ambi=1 { CB:66.8 } atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } ::sumAvg: 4.73 atom: 616 58S-HB2 B 0.91 ambi=1 { CB:66.8 } atom: 670 64R-H N 7.61 ambi=1 { N:123.7 } ::sumAvg: 4.62 atom: 617 58S-HB3 B 2.44 ambi=1 { CB:66.8 } atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } ::sumAvg: 4.425 atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } atom: 617 58S-HB3 B 2.44 ambi=1 { CB:66.8 } ::sumAvg: 4.425 atom: 616 58S-HB2 B 0.91 ambi=1 { CB:66.8 } atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } :: atom: 617 58S-HB3 B 2.44 ambi=1 { CB:66.8 } atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } ::sumAvg: 4.515 atom: 616 58S-HB2 B 0.91 ambi=1 { CB:66.8 } atom: 688 65W-HE1 E1 9.32 ambi=1 { NE1:127 } :: atom: 617 58S-HB3 B 2.44 ambi=1 { CB:66.8 } atom: 688 65W-HE1 E1 9.32 ambi=1 { NE1:127 } ::sumAvg: 3.985 atom: 617 58S-HB3 B 2.44 ambi=1 { CB:66.8 } atom: 691 65W-HZ3 Z3 6.65 ambi=1 { CZ3:120.1 } ::sumAvg: 3.67 atom: 691 65W-HZ3 Z3 6.65 ambi=1 { CZ3:120.1 } atom: 617 58S-HB3 B 2.44 ambi=1 { CB:66.8 } ::sumAvg: 3.67 atom: 616 58S-HB2 B 0.91 ambi=1 { CB:66.8 } atom: 692 65W-HH2 H2 6.46 ambi=1 { CH2:123.7 } :: atom: 617 58S-HB3 B 2.44 ambi=1 { CB:66.8 } atom: 692 65W-HH2 H2 6.46 ambi=1 { CH2:123.7 } ::sumAvg: 3.875 atom: 622 59N-HA A 4.76 ambi=1 { CA:51.6 } atom: 621 59N-H N 8.15 ambi=1 { N:116.8 } ::sumAvg: 2.855 atom: 658 62G-HA2 A 4.53 ambi=2 { CA:46.2 } atom: 621 59N-H N 8.15 ambi=1 { N:116.8 } :: atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } atom: 621 59N-H N 8.15 ambi=1 { N:116.8 } ::sumAvg: 3.375 atom: 673 64R-HB3 B 1.73 ambi=1 { CB:32.8 } atom: 621 59N-H N 8.15 ambi=1 { N:116.8 } ::sumAvg: 4.025 atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } atom: 621 59N-H N 8.15 ambi=1 { N:116.8 } ::sumAvg: 4.825 atom: 706 66F-QD D 6.87 ambi=3 { CD1:131.7 } atom: 621 59N-H N 8.15 ambi=1 { N:116.8 } ::sumAvg: 4.55 atom: 708 66F-QE E 7 ambi=3 { CE1:130 } atom: 621 59N-H N 8.15 ambi=1 { N:116.8 } ::sumAvg: 4.06 atom: 622 59N-HA A 4.76 ambi=1 { CA:51.6 } atom: 632 60K-HA A 3.96 ambi=1 { CA:59.8 } ::sumAvg: 4.275 atom: 632 60K-HA A 3.96 ambi=1 { CA:59.8 } atom: 622 59N-HA A 4.76 ambi=1 { CA:51.6 } ::sumAvg: 4.275 atom: 622 59N-HA A 4.76 ambi=1 { CA:51.6 } atom: 633 60K-HB2 B 1.81 ambi=2 { CB:31.8 } :: atom: 622 59N-HA A 4.76 ambi=1 { CA:51.6 } atom: 634 60K-HB3 B 1.89 ambi=2 { CB:31.8 } ::sumAvg: 4.84 atom: 633 60K-HB2 B 1.81 ambi=2 { CB:31.8 } atom: 622 59N-HA A 4.76 ambi=1 { CA:51.6 } :: atom: 634 60K-HB3 B 1.89 ambi=2 { CB:31.8 } atom: 622 59N-HA A 4.76 ambi=1 { CA:51.6 } ::sumAvg: 4.84 atom: 622 59N-HA A 4.76 ambi=1 { CA:51.6 } atom: 625 59N-HD21 D2 7.79 ambi=2 { ND2:110.7 } :: atom: 622 59N-HA A 4.76 ambi=1 { CA:51.6 } atom: 626 59N-HD22 D2 6.71 ambi=2 { ND2:110.7 } ::sumAvg: 4.495 atom: 622 59N-HA A 4.76 ambi=1 { CA:51.6 } atom: 647 61E-H N 8.77 ambi=1 { N:115.4 } ::sumAvg: 4.335 atom: 622 59N-HA A 4.76 ambi=1 { CA:51.6 } atom: 657 62G-H N 7.82 ambi=1 { N:107.1 } ::sumAvg: 4.355 atom: 622 59N-HA A 4.76 ambi=1 { CA:51.6 } atom: 710 66F-HZ Z 6.92 ambi=1 { CZ:129.4 } ::sumAvg: 4.08 atom: 710 66F-HZ Z 6.92 ambi=1 { CZ:129.4 } atom: 622 59N-HA A 4.76 ambi=1 { CA:51.6 } ::sumAvg: 4.08 atom: 708 66F-QE E 7 ambi=3 { CE1:130 } atom: 622 59N-HA A 4.76 ambi=1 { CA:51.6 } ::sumAvg: 3.595 atom: 624 59N-HB3 B 3.59 ambi=1 { CB:37.3 } atom: 633 60K-HB2 B 1.81 ambi=2 { CB:31.8 } :: atom: 624 59N-HB3 B 3.59 ambi=1 { CB:37.3 } atom: 634 60K-HB3 B 1.89 ambi=2 { CB:31.8 } ::sumAvg: 4.95 atom: 623 59N-HB2 B 3.07 ambi=1 { CB:37.3 } atom: 649 61E-HB2 B 2.1 ambi=2 { CB:29.6 } :: atom: 623 59N-HB2 B 3.07 ambi=1 { CB:37.3 } atom: 650 61E-HB3 B 2.23 ambi=2 { CB:29.6 } :: atom: 624 59N-HB3 B 3.59 ambi=1 { CB:37.3 } atom: 649 61E-HB2 B 2.1 ambi=2 { CB:29.6 } :: atom: 624 59N-HB3 B 3.59 ambi=1 { CB:37.3 } atom: 650 61E-HB3 B 2.23 ambi=2 { CB:29.6 } ::sumAvg: 4.045 atom: 649 61E-HB2 B 2.1 ambi=2 { CB:29.6 } atom: 623 59N-HB2 B 3.07 ambi=1 { CB:37.3 } :: atom: 650 61E-HB3 B 2.23 ambi=2 { CB:29.6 } atom: 623 59N-HB2 B 3.07 ambi=1 { CB:37.3 } :: atom: 649 61E-HB2 B 2.1 ambi=2 { CB:29.6 } atom: 624 59N-HB3 B 3.59 ambi=1 { CB:37.3 } :: atom: 650 61E-HB3 B 2.23 ambi=2 { CB:29.6 } atom: 624 59N-HB3 B 3.59 ambi=1 { CB:37.3 } ::sumAvg: 4.045 atom: 623 59N-HB2 B 3.07 ambi=1 { CB:37.3 } atom: 658 62G-HA2 A 4.53 ambi=2 { CA:46.2 } :: atom: 623 59N-HB2 B 3.07 ambi=1 { CB:37.3 } atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } :: atom: 624 59N-HB3 B 3.59 ambi=1 { CB:37.3 } atom: 658 62G-HA2 A 4.53 ambi=2 { CA:46.2 } ::sumAvg: 4.635 atom: 658 62G-HA2 A 4.53 ambi=2 { CA:46.2 } atom: 623 59N-HB2 B 3.07 ambi=1 { CB:37.3 } :: atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } atom: 623 59N-HB2 B 3.07 ambi=1 { CB:37.3 } :: atom: 658 62G-HA2 A 4.53 ambi=2 { CA:46.2 } atom: 624 59N-HB3 B 3.59 ambi=1 { CB:37.3 } ::sumAvg: 4.635 atom: 623 59N-HB2 B 3.07 ambi=1 { CB:37.3 } atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } :: atom: 624 59N-HB3 B 3.59 ambi=1 { CB:37.3 } atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } ::sumAvg: 3.545 atom: 623 59N-HB2 B 3.07 ambi=1 { CB:37.3 } atom: 670 64R-H N 7.61 ambi=1 { N:123.7 } :: atom: 624 59N-HB3 B 3.59 ambi=1 { CB:37.3 } atom: 670 64R-H N 7.61 ambi=1 { N:123.7 } ::sumAvg: 3.57 atom: 623 59N-HB2 B 3.07 ambi=1 { CB:37.3 } atom: 672 64R-HB2 B 1.63 ambi=1 { CB:32.8 } :: atom: 623 59N-HB2 B 3.07 ambi=1 { CB:37.3 } atom: 673 64R-HB3 B 1.73 ambi=1 { CB:32.8 } :: atom: 624 59N-HB3 B 3.59 ambi=1 { CB:37.3 } atom: 673 64R-HB3 B 1.73 ambi=1 { CB:32.8 } ::sumAvg: 3.2 atom: 623 59N-HB2 B 3.07 ambi=1 { CB:37.3 } atom: 674 64R-HG2 G 1.5 ambi=2 { CG:27.4 } :: atom: 623 59N-HB2 B 3.07 ambi=1 { CB:37.3 } atom: 675 64R-HG3 G 1.63 ambi=2 { CG:27.4 } ::sumAvg: 4.825 atom: 623 59N-HB2 B 3.07 ambi=1 { CB:37.3 } atom: 708 66F-QE E 7 ambi=3 { CE1:130 } :: atom: 624 59N-HB3 B 3.59 ambi=1 { CB:37.3 } atom: 708 66F-QE E 7 ambi=3 { CE1:130 } ::sumAvg: 4.445 atom: 664 63T-HB B 4.57 ambi=1 { CB:69.3 } atom: 625 59N-HD21 D2 7.79 ambi=2 { ND2:110.7 } :: atom: 664 63T-HB B 4.57 ambi=1 { CB:69.3 } atom: 626 59N-HD22 D2 6.71 ambi=2 { ND2:110.7 } ::sumAvg: 4.91 atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } atom: 625 59N-HD21 D2 7.79 ambi=2 { ND2:110.7 } :: atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } atom: 626 59N-HD22 D2 6.71 ambi=2 { ND2:110.7 } ::sumAvg: 4.905 atom: 637 60K-QD D 1.69 ambi=2 { CD:28.9 } atom: 631 60K-H N 8.83 ambi=1 { N:123.1 } ::sumAvg: 4.09 atom: 649 61E-HB2 B 2.1 ambi=2 { CB:29.6 } atom: 631 60K-H N 8.83 ambi=1 { N:123.1 } :: atom: 650 61E-HB3 B 2.23 ambi=2 { CB:29.6 } atom: 631 60K-H N 8.83 ambi=1 { N:123.1 } ::sumAvg: 4.825 atom: 651 61E-HG2 G 2.34 ambi=2 { CG:37.3 } atom: 631 60K-H N 8.83 ambi=1 { N:123.1 } :: atom: 652 61E-HG3 G 2.54 ambi=2 { CG:37.3 } atom: 631 60K-H N 8.83 ambi=1 { N:123.1 } ::sumAvg: 4.445 atom: 635 60K-QG G 1.46 ambi=2 { CG:24.4 } atom: 648 61E-HA A 4.19 ambi=1 { CA:58 } ::sumAvg: 4.76 atom: 637 60K-QD D 1.69 ambi=2 { CD:28.9 } atom: 651 61E-HG2 G 2.34 ambi=2 { CG:37.3 } :: atom: 637 60K-QD D 1.69 ambi=2 { CD:28.9 } atom: 652 61E-HG3 G 2.54 ambi=2 { CG:37.3 } ::sumAvg: 4.75 atom: 651 61E-HG2 G 2.34 ambi=2 { CG:37.3 } atom: 637 60K-QD D 1.69 ambi=2 { CD:28.9 } :: atom: 652 61E-HG3 G 2.54 ambi=2 { CG:37.3 } atom: 637 60K-QD D 1.69 ambi=2 { CD:28.9 } ::sumAvg: 4.75 atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } :: atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } ::sumAvg: 4.29 atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } :: atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } ::sumAvg: 4.29 atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } atom: 904 82I-HG12 G1 0.84 ambi=2 { CG1:25.7 } :: atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } atom: 905 82I-HG13 G1 1.29 ambi=2 { CG1:25.7 } ::sumAvg: 3.96 atom: 904 82I-HG12 G1 0.84 ambi=2 { CG1:25.7 } atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } :: atom: 905 82I-HG13 G1 1.29 ambi=2 { CG1:25.7 } atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } ::sumAvg: 3.96 atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } ::sumAvg: 4.275 atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } ::sumAvg: 4.41 atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } ::sumAvg: 4.41 atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } ::sumAvg: 4.845 atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } ::sumAvg: 4.845 atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } atom: 704 66F-HB2 B 3.1 ambi=2 { CB:40.5 } :: atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } atom: 704 66F-HB2 B 3.1 ambi=2 { CB:40.5 } :: atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } atom: 705 66F-HB3 B 3.22 ambi=2 { CB:40.5 } :: atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } atom: 705 66F-HB3 B 3.22 ambi=2 { CB:40.5 } ::sumAvg: 4.28 atom: 704 66F-HB2 B 3.1 ambi=2 { CB:40.5 } atom: 918 83E-QG G 2.13 ambi=2 { CG:35.4 } :: atom: 705 66F-HB3 B 3.22 ambi=2 { CB:40.5 } atom: 918 83E-QG G 2.13 ambi=2 { CG:35.4 } ::sumAvg: 3.615 atom: 918 83E-QG G 2.13 ambi=2 { CG:35.4 } atom: 704 66F-HB2 B 3.1 ambi=2 { CB:40.5 } :: atom: 918 83E-QG G 2.13 ambi=2 { CG:35.4 } atom: 705 66F-HB3 B 3.22 ambi=2 { CB:40.5 } ::sumAvg: 3.615 atom: 704 66F-HB2 B 3.1 ambi=2 { CB:40.5 } atom: 924 84F-H N 8.46 ambi=1 { N:112.7 } :: atom: 705 66F-HB3 B 3.22 ambi=2 { CB:40.5 } atom: 924 84F-H N 8.46 ambi=1 { N:112.7 } ::sumAvg: 4.42 atom: 658 62G-HA2 A 4.53 ambi=2 { CA:46.2 } atom: 647 61E-H N 8.77 ambi=1 { N:115.4 } :: atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } atom: 647 61E-H N 8.77 ambi=1 { N:115.4 } ::sumAvg: 4.695 atom: 648 61E-HA A 4.19 ambi=1 { CA:58 } atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } ::sumAvg: 4.575 atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } atom: 648 61E-HA A 4.19 ambi=1 { CA:58 } ::sumAvg: 4.575 atom: 648 61E-HA A 4.19 ambi=1 { CA:58 } atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } ::sumAvg: 4.65 atom: 649 61E-HB2 B 2.1 ambi=2 { CB:29.6 } atom: 658 62G-HA2 A 4.53 ambi=2 { CA:46.2 } :: atom: 649 61E-HB2 B 2.1 ambi=2 { CB:29.6 } atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } :: atom: 650 61E-HB3 B 2.23 ambi=2 { CB:29.6 } atom: 658 62G-HA2 A 4.53 ambi=2 { CA:46.2 } :: atom: 650 61E-HB3 B 2.23 ambi=2 { CB:29.6 } atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } ::sumAvg: 4.805 atom: 658 62G-HA2 A 4.53 ambi=2 { CA:46.2 } atom: 649 61E-HB2 B 2.1 ambi=2 { CB:29.6 } :: atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } atom: 649 61E-HB2 B 2.1 ambi=2 { CB:29.6 } :: atom: 658 62G-HA2 A 4.53 ambi=2 { CA:46.2 } atom: 650 61E-HB3 B 2.23 ambi=2 { CB:29.6 } :: atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } atom: 650 61E-HB3 B 2.23 ambi=2 { CB:29.6 } ::sumAvg: 4.805 atom: 649 61E-HB2 B 2.1 ambi=2 { CB:29.6 } atom: 663 63T-HA A 4.41 ambi=1 { CA:61.7 } :: atom: 650 61E-HB3 B 2.23 ambi=2 { CB:29.6 } atom: 663 63T-HA A 4.41 ambi=1 { CA:61.7 } ::sumAvg: 4.87 atom: 649 61E-HB2 B 2.1 ambi=2 { CB:29.6 } atom: 664 63T-HB B 4.57 ambi=1 { CB:69.3 } :: atom: 650 61E-HB3 B 2.23 ambi=2 { CB:29.6 } atom: 664 63T-HB B 4.57 ambi=1 { CB:69.3 } ::sumAvg: 4.635 atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } atom: 663 63T-HA A 4.41 ambi=1 { CA:61.7 } ::sumAvg: 4.45 atom: 663 63T-HA A 4.41 ambi=1 { CA:61.7 } atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } ::sumAvg: 4.45 atom: 658 62G-HA2 A 4.53 ambi=2 { CA:46.2 } atom: 665 63T-HG2 G2 1.1 ambi=1 { CG2:23 } :: atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } atom: 665 63T-HG2 G2 1.1 ambi=1 { CG2:23 } ::sumAvg: 4.085 atom: 658 62G-HA2 A 4.53 ambi=2 { CA:46.2 } atom: 670 64R-H N 7.61 ambi=1 { N:123.7 } :: atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } atom: 670 64R-H N 7.61 ambi=1 { N:123.7 } ::sumAvg: 3.795 atom: 658 62G-HA2 A 4.53 ambi=2 { CA:46.2 } atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } :: atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } ::sumAvg: 4.79 atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } atom: 658 62G-HA2 A 4.53 ambi=2 { CA:46.2 } :: atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } ::sumAvg: 4.79 atom: 658 62G-HA2 A 4.53 ambi=2 { CA:46.2 } atom: 688 65W-HE1 E1 9.32 ambi=1 { NE1:127 } :: atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } atom: 688 65W-HE1 E1 9.32 ambi=1 { NE1:127 } ::sumAvg: 3.355 atom: 658 62G-HA2 A 4.53 ambi=2 { CA:46.2 } atom: 690 65W-HZ2 Z2 7.02 ambi=1 { CZ2:113.1 } :: atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } atom: 690 65W-HZ2 Z2 7.02 ambi=1 { CZ2:113.1 } ::sumAvg: 3.73 atom: 690 65W-HZ2 Z2 7.02 ambi=1 { CZ2:113.1 } atom: 658 62G-HA2 A 4.53 ambi=2 { CA:46.2 } :: atom: 690 65W-HZ2 Z2 7.02 ambi=1 { CZ2:113.1 } atom: 659 62G-HA3 A 3.53 ambi=2 { CA:46.2 } ::sumAvg: 3.73 atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } ::sumAvg: 4.92 atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } ::sumAvg: 4.98 atom: 950 86I-HB B 2.04 ambi=1 { CB:36.4 } atom: 662 63T-H N 8.33 ambi=1 { N:107.9 } ::sumAvg: 4.95 atom: 663 63T-HA A 4.41 ambi=1 { CA:61.7 } atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } ::sumAvg: 4.435 atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } atom: 663 63T-HA A 4.41 ambi=1 { CA:61.7 } ::sumAvg: 4.435 atom: 663 63T-HA A 4.41 ambi=1 { CA:61.7 } atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } ::sumAvg: 4.235 atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } atom: 663 63T-HA A 4.41 ambi=1 { CA:61.7 } ::sumAvg: 4.235 atom: 664 63T-HB B 4.57 ambi=1 { CB:69.3 } atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } ::sumAvg: 4.855 atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } atom: 664 63T-HB B 4.57 ambi=1 { CB:69.3 } ::sumAvg: 4.855 atom: 664 63T-HB B 4.57 ambi=1 { CB:69.3 } atom: 672 64R-HB2 B 1.63 ambi=1 { CB:32.8 } ::sumAvg: 4.585 atom: 672 64R-HB2 B 1.63 ambi=1 { CB:32.8 } atom: 664 63T-HB B 4.57 ambi=1 { CB:69.3 } ::sumAvg: 4.585 atom: 664 63T-HB B 4.57 ambi=1 { CB:69.3 } atom: 948 86I-H N 8.43 ambi=1 { N:121.6 } ::sumAvg: 3.915 atom: 950 86I-HB B 2.04 ambi=1 { CB:36.4 } atom: 664 63T-HB B 4.57 ambi=1 { CB:69.3 } ::sumAvg: 3.49 atom: 951 86I-HG12 G1 1.78 ambi=2 { CG1:26.8 } atom: 664 63T-HB B 4.57 ambi=1 { CB:69.3 } :: atom: 952 86I-HG13 G1 2.13 ambi=2 { CG1:26.8 } atom: 664 63T-HB B 4.57 ambi=1 { CB:69.3 } ::sumAvg: 4.925 atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } atom: 664 63T-HB B 4.57 ambi=1 { CB:69.3 } ::sumAvg: 4.685 atom: 684 65W-HA A 4.72 ambi=1 { CA:55.4 } atom: 670 64R-H N 7.61 ambi=1 { N:123.7 } ::sumAvg: 4.74 atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } atom: 670 64R-H N 7.61 ambi=1 { N:123.7 } ::sumAvg: 3.645 atom: 950 86I-HB B 2.04 ambi=1 { CB:36.4 } atom: 670 64R-H N 7.61 ambi=1 { N:123.7 } ::sumAvg: 4.955 atom: 951 86I-HG12 G1 1.78 ambi=2 { CG1:26.8 } atom: 670 64R-H N 7.61 ambi=1 { N:123.7 } :: atom: 952 86I-HG13 G1 2.13 ambi=2 { CG1:26.8 } atom: 670 64R-H N 7.61 ambi=1 { N:123.7 } ::sumAvg: 4.53 atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } :: atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } ::sumAvg: 4.35 atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } :: atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } ::sumAvg: 4.35 atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } ::sumAvg: 2.95 atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } atom: 943 85D-HB2 B 2.51 ambi=1 { CB:43 } :: atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } atom: 944 85D-HB3 B 2.67 ambi=1 { CB:43 } ::sumAvg: 4.225 atom: 943 85D-HB2 B 2.51 ambi=1 { CB:43 } atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } :: atom: 944 85D-HB3 B 2.67 ambi=1 { CB:43 } atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } ::sumAvg: 4.225 atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } atom: 950 86I-HB B 2.04 ambi=1 { CB:36.4 } ::sumAvg: 4.855 atom: 950 86I-HB B 2.04 ambi=1 { CB:36.4 } atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } ::sumAvg: 4.855 atom: 951 86I-HG12 G1 1.78 ambi=2 { CG1:26.8 } atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } :: atom: 952 86I-HG13 G1 2.13 ambi=2 { CG1:26.8 } atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } ::sumAvg: 3.635 atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } ::sumAvg: 4.785 atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } atom: 671 64R-HA A 5.02 ambi=1 { CA:56.1 } ::sumAvg: 4.785 atom: 673 64R-HB3 B 1.73 ambi=1 { CB:32.8 } atom: 684 65W-HA A 4.72 ambi=1 { CA:55.4 } ::sumAvg: 4.9 atom: 673 64R-HB3 B 1.73 ambi=1 { CB:32.8 } atom: 706 66F-QD D 6.87 ambi=3 { CD1:131.7 } ::sumAvg: 4.505 atom: 706 66F-QD D 6.87 ambi=3 { CD1:131.7 } atom: 673 64R-HB3 B 1.73 ambi=1 { CB:32.8 } ::sumAvg: 4.505 atom: 673 64R-HB3 B 1.73 ambi=1 { CB:32.8 } atom: 708 66F-QE E 7 ambi=3 { CE1:130 } ::sumAvg: 4.69 atom: 708 66F-QE E 7 ambi=3 { CE1:130 } atom: 673 64R-HB3 B 1.73 ambi=1 { CB:32.8 } ::sumAvg: 4.69 atom: 672 64R-HB2 B 1.63 ambi=1 { CB:32.8 } atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } ::sumAvg: 3.795 atom: 672 64R-HB2 B 1.63 ambi=1 { CB:32.8 } atom: 944 85D-HB3 B 2.67 ambi=1 { CB:43 } ::sumAvg: 4.535 atom: 944 85D-HB3 B 2.67 ambi=1 { CB:43 } atom: 672 64R-HB2 B 1.63 ambi=1 { CB:32.8 } ::sumAvg: 4.535 atom: 672 64R-HB2 B 1.63 ambi=1 { CB:32.8 } atom: 948 86I-H N 8.43 ambi=1 { N:121.6 } ::sumAvg: 4.705 atom: 674 64R-HG2 G 1.5 ambi=2 { CG:27.4 } atom: 684 65W-HA A 4.72 ambi=1 { CA:55.4 } :: atom: 675 64R-HG3 G 1.63 ambi=2 { CG:27.4 } atom: 684 65W-HA A 4.72 ambi=1 { CA:55.4 } ::sumAvg: 4.04 atom: 916 83E-HB2 B 2.07 ambi=1 { CB:33.5 } atom: 674 64R-HG2 G 1.5 ambi=2 { CG:27.4 } :: atom: 917 83E-HB3 B 2.38 ambi=1 { CB:33.5 } atom: 674 64R-HG2 G 1.5 ambi=2 { CG:27.4 } :: atom: 916 83E-HB2 B 2.07 ambi=1 { CB:33.5 } atom: 675 64R-HG3 G 1.63 ambi=2 { CG:27.4 } :: atom: 917 83E-HB3 B 2.38 ambi=1 { CB:33.5 } atom: 675 64R-HG3 G 1.63 ambi=2 { CG:27.4 } ::sumAvg: 4.89 atom: 674 64R-HG2 G 1.5 ambi=2 { CG:27.4 } atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } :: atom: 675 64R-HG3 G 1.63 ambi=2 { CG:27.4 } atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } ::sumAvg: 3.355 atom: 943 85D-HB2 B 2.51 ambi=1 { CB:43 } atom: 674 64R-HG2 G 1.5 ambi=2 { CG:27.4 } :: atom: 944 85D-HB3 B 2.67 ambi=1 { CB:43 } atom: 674 64R-HG2 G 1.5 ambi=2 { CG:27.4 } :: atom: 943 85D-HB2 B 2.51 ambi=1 { CB:43 } atom: 675 64R-HG3 G 1.63 ambi=2 { CG:27.4 } :: atom: 944 85D-HB3 B 2.67 ambi=1 { CB:43 } atom: 675 64R-HG3 G 1.63 ambi=2 { CG:27.4 } ::sumAvg: 4.17 atom: 704 66F-HB2 B 3.1 ambi=2 { CB:40.5 } atom: 683 65W-H N 8.77 ambi=1 { N:125.1 } :: atom: 705 66F-HB3 B 3.22 ambi=2 { CB:40.5 } atom: 683 65W-H N 8.77 ambi=1 { N:125.1 } ::sumAvg: 4.915 atom: 706 66F-QD D 6.87 ambi=3 { CD1:131.7 } atom: 683 65W-H N 8.77 ambi=1 { N:125.1 } ::sumAvg: 4.49 atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } atom: 683 65W-H N 8.77 ambi=1 { N:125.1 } ::sumAvg: 4.24 atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } atom: 683 65W-H N 8.77 ambi=1 { N:125.1 } ::sumAvg: 4.71 atom: 684 65W-HA A 4.72 ambi=1 { CA:55.4 } atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } ::sumAvg: 4.465 atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } atom: 684 65W-HA A 4.72 ambi=1 { CA:55.4 } ::sumAvg: 4.465 atom: 684 65W-HA A 4.72 ambi=1 { CA:55.4 } atom: 704 66F-HB2 B 3.1 ambi=2 { CB:40.5 } :: atom: 684 65W-HA A 4.72 ambi=1 { CA:55.4 } atom: 705 66F-HB3 B 3.22 ambi=2 { CB:40.5 } ::sumAvg: 4.5 atom: 704 66F-HB2 B 3.1 ambi=2 { CB:40.5 } atom: 684 65W-HA A 4.72 ambi=1 { CA:55.4 } :: atom: 705 66F-HB3 B 3.22 ambi=2 { CB:40.5 } atom: 684 65W-HA A 4.72 ambi=1 { CA:55.4 } ::sumAvg: 4.5 atom: 684 65W-HA A 4.72 ambi=1 { CA:55.4 } atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } ::sumAvg: 3.605 atom: 689 65W-HE3 E3 7.03 ambi=1 { CE3:119.8 } atom: 684 65W-HA A 4.72 ambi=1 { CA:55.4 } ::sumAvg: 4 atom: 684 65W-HA A 4.72 ambi=1 { CA:55.4 } atom: 706 66F-QD D 6.87 ambi=3 { CD1:131.7 } ::sumAvg: 3.395 atom: 684 65W-HA A 4.72 ambi=1 { CA:55.4 } atom: 924 84F-H N 8.46 ambi=1 { N:112.7 } ::sumAvg: 4.745 atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } :: atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } ::sumAvg: 4.295 atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } :: atom: 703 66F-HA A 5.33 ambi=1 { CA:54.9 } atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } ::sumAvg: 4.295 atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } atom: 688 65W-HE1 E1 9.32 ambi=1 { NE1:127 } :: atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } atom: 688 65W-HE1 E1 9.32 ambi=1 { NE1:127 } ::sumAvg: 4.88 atom: 691 65W-HZ3 Z3 6.65 ambi=1 { CZ3:120.1 } atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } :: atom: 691 65W-HZ3 Z3 6.65 ambi=1 { CZ3:120.1 } atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } ::sumAvg: 4.825 atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } :: atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } ::sumAvg: 4.76 atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } :: atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } ::sumAvg: 4.76 atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } atom: 924 84F-H N 8.46 ambi=1 { N:112.7 } :: atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } atom: 924 84F-H N 8.46 ambi=1 { N:112.7 } ::sumAvg: 3.36 atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } :: atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } :: atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } :: atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } ::sumAvg: 3.585 atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } :: atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } :: atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } :: atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } ::sumAvg: 3.585 atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } :: atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } ::sumAvg: 2.915 atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } :: atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } ::sumAvg: 3.775 atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } :: atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } ::sumAvg: 4.935 atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } :: atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } ::sumAvg: 4.935 atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } atom: 951 86I-HG12 G1 1.78 ambi=2 { CG1:26.8 } :: atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } atom: 952 86I-HG13 G1 2.13 ambi=2 { CG1:26.8 } :: atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } atom: 951 86I-HG12 G1 1.78 ambi=2 { CG1:26.8 } ::sumAvg: 4.555 atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } :: atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } ::sumAvg: 3.93 atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } :: atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } ::sumAvg: 3.795 atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } :: atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } atom: 685 65W-HB2 B 1.04 ambi=2 { CB:30.6 } :: atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } :: atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } atom: 686 65W-HB3 B 2.21 ambi=2 { CB:30.6 } ::sumAvg: 3.795 atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } ::sumAvg: 4.965 atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } ::sumAvg: 4.965 atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } ::sumAvg: 3.935 atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } ::sumAvg: 3.935 atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } atom: 948 86I-H N 8.43 ambi=1 { N:121.6 } ::sumAvg: 4.38 atom: 950 86I-HB B 2.04 ambi=1 { CB:36.4 } atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } ::sumAvg: 4.35 atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } ::sumAvg: 4.845 atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 687 65W-HD1 D1 6.4 ambi=1 { CD1:123.5 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } ::sumAvg: 4.14 atom: 692 65W-HH2 H2 6.46 ambi=1 { CH2:123.7 } atom: 688 65W-HE1 E1 9.32 ambi=1 { NE1:127 } ::sumAvg: 4.98 atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } atom: 688 65W-HE1 E1 9.32 ambi=1 { NE1:127 } ::sumAvg: 3.885 atom: 689 65W-HE3 E3 7.03 ambi=1 { CE3:119.8 } atom: 702 66F-H N 8.53 ambi=1 { N:117 } ::sumAvg: 4.06 atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } atom: 689 65W-HE3 E3 7.03 ambi=1 { CE3:119.8 } ::sumAvg: 4.585 atom: 689 65W-HE3 E3 7.03 ambi=1 { CE3:119.8 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 689 65W-HE3 E3 7.03 ambi=1 { CE3:119.8 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } ::sumAvg: 3.365 atom: 690 65W-HZ2 Z2 7.02 ambi=1 { CZ2:113.1 } atom: 951 86I-HG12 G1 1.78 ambi=2 { CG1:26.8 } :: atom: 690 65W-HZ2 Z2 7.02 ambi=1 { CZ2:113.1 } atom: 952 86I-HG13 G1 2.13 ambi=2 { CG1:26.8 } ::sumAvg: 4.585 atom: 951 86I-HG12 G1 1.78 ambi=2 { CG1:26.8 } atom: 690 65W-HZ2 Z2 7.02 ambi=1 { CZ2:113.1 } :: atom: 952 86I-HG13 G1 2.13 ambi=2 { CG1:26.8 } atom: 690 65W-HZ2 Z2 7.02 ambi=1 { CZ2:113.1 } ::sumAvg: 4.585 atom: 690 65W-HZ2 Z2 7.02 ambi=1 { CZ2:113.1 } atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } ::sumAvg: 4.775 atom: 691 65W-HZ3 Z3 6.65 ambi=1 { CZ3:120.1 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 691 65W-HZ3 Z3 6.65 ambi=1 { CZ3:120.1 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } ::sumAvg: 3.37 atom: 689 65W-HE3 E3 7.03 ambi=1 { CE3:119.8 } atom: 692 65W-HH2 H2 6.46 ambi=1 { CH2:123.7 } ::sumAvg: 4.26 atom: 692 65W-HH2 H2 6.46 ambi=1 { CH2:123.7 } atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } ::sumAvg: 4.83 atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } atom: 692 65W-HH2 H2 6.46 ambi=1 { CH2:123.7 } ::sumAvg: 4.83 atom: 708 66F-QE E 7 ambi=3 { CE1:130 } atom: 702 66F-H N 8.53 ambi=1 { N:117 } ::sumAvg: 4.39 atom: 706 66F-QD D 6.87 ambi=3 { CD1:131.7 } atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } :: atom: 706 66F-QD D 6.87 ambi=3 { CD1:131.7 } atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } ::sumAvg: 3.67 atom: 917 83E-HB3 B 2.38 ambi=1 { CB:33.5 } atom: 706 66F-QD D 6.87 ambi=3 { CD1:131.7 } ::sumAvg: 4.89 atom: 767 71Y-HA A 4.84 ambi=1 { CA:57.7 } atom: 770 71Y-QD D 6.96 ambi=3 { CD1:131.9 } ::sumAvg: 3.03 atom: 767 71Y-HA A 4.84 ambi=1 { CA:57.7 } atom: 783 72I-HB B 1.63 ambi=1 { CB:38.1 } ::sumAvg: 4.605 atom: 767 71Y-HA A 4.84 ambi=1 { CA:57.7 } atom: 787 72I-HD1 D1 0.82 ambi=1 { CD1:12.7 } ::sumAvg: 4.475 atom: 767 71Y-HA A 4.84 ambi=1 { CA:57.7 } atom: 784 72I-HG12 G1 0.96 ambi=2 { CG1:27.8 } :: atom: 767 71Y-HA A 4.84 ambi=1 { CA:57.7 } atom: 785 72I-HG13 G1 1.57 ambi=2 { CG1:27.8 } ::sumAvg: 3.59 atom: 768 71Y-QB B 3.01 ambi=2 { CB:44 } atom: 772 71Y-QE E 6.69 ambi=3 { CE1:117.3 } ::sumAvg: 3.95 atom: 768 71Y-QB B 3.01 ambi=2 { CB:44 } atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } ::sumAvg: 4.6 atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } atom: 768 71Y-QB B 3.01 ambi=2 { CB:44 } ::sumAvg: 4.6 atom: 768 71Y-QB B 3.01 ambi=2 { CB:44 } atom: 784 72I-HG12 G1 0.96 ambi=2 { CG1:27.8 } :: atom: 768 71Y-QB B 3.01 ambi=2 { CB:44 } atom: 785 72I-HG13 G1 1.57 ambi=2 { CG1:27.8 } ::sumAvg: 4.93 atom: 784 72I-HG12 G1 0.96 ambi=2 { CG1:27.8 } atom: 768 71Y-QB B 3.01 ambi=2 { CB:44 } :: atom: 785 72I-HG13 G1 1.57 ambi=2 { CG1:27.8 } atom: 768 71Y-QB B 3.01 ambi=2 { CB:44 } ::sumAvg: 4.93 atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } atom: 768 71Y-QB B 3.01 ambi=2 { CB:44 } ::sumAvg: 4.685 atom: 768 71Y-QB B 3.01 ambi=2 { CB:44 } atom: 858 78Y-QE E 6.77 ambi=3 { CE1:117.5 } ::sumAvg: 4.6 atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } atom: 768 71Y-QB B 3.01 ambi=2 { CB:44 } ::sumAvg: 4.715 atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } atom: 768 71Y-QB B 3.01 ambi=2 { CB:44 } :: atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } atom: 768 71Y-QB B 3.01 ambi=2 { CB:44 } ::sumAvg: 4.15 atom: 768 71Y-QB B 3.01 ambi=2 { CB:44 } atom: 1584 146L-HD1 D1 0.88 ambi=2 { CD1:23 } :: atom: 768 71Y-QB B 3.01 ambi=2 { CB:44 } atom: 1585 146L-HD2 D2 1.14 ambi=2 { CD2:27.6 } ::sumAvg: 3.565 atom: 768 71Y-QB B 3.01 ambi=2 { CB:44 } atom: 1621 150I-HG12 G1 0.82 ambi=2 { CG1:28.2 } :: atom: 768 71Y-QB B 3.01 ambi=2 { CB:44 } atom: 1622 150I-HG13 G1 1.49 ambi=2 { CG1:28.2 } ::sumAvg: 4.995 atom: 917 83E-HB3 B 2.38 ambi=1 { CB:33.5 } atom: 719 67G-H N 8.54 ambi=1 { N:107.1 } ::sumAvg: 4.485 atom: 918 83E-QG G 2.13 ambi=2 { CG:35.4 } atom: 719 67G-H N 8.54 ambi=1 { N:107.1 } ::sumAvg: 4.28 atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } atom: 725 68K-HA A 5.61 ambi=1 { CA:53.9 } :: atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } atom: 725 68K-HA A 5.61 ambi=1 { CA:53.9 } ::sumAvg: 4.345 atom: 725 68K-HA A 5.61 ambi=1 { CA:53.9 } atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } :: atom: 725 68K-HA A 5.61 ambi=1 { CA:53.9 } atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } ::sumAvg: 4.345 atom: 726 68K-HB2 B 1.44 ambi=1 { CB:38.2 } atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } :: atom: 726 68K-HB2 B 1.44 ambi=1 { CB:38.2 } atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } ::sumAvg: 4.915 atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } atom: 901 82I-H N 8.46 ambi=1 { N:113.7 } :: atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } atom: 901 82I-H N 8.46 ambi=1 { N:113.7 } ::sumAvg: 4.75 atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } atom: 904 82I-HG12 G1 0.84 ambi=2 { CG1:25.7 } :: atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } atom: 905 82I-HG13 G1 1.29 ambi=2 { CG1:25.7 } :: atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } atom: 904 82I-HG12 G1 0.84 ambi=2 { CG1:25.7 } :: atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } atom: 905 82I-HG13 G1 1.29 ambi=2 { CG1:25.7 } ::sumAvg: 4.13 atom: 904 82I-HG12 G1 0.84 ambi=2 { CG1:25.7 } atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } :: atom: 905 82I-HG13 G1 1.29 ambi=2 { CG1:25.7 } atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } :: atom: 904 82I-HG12 G1 0.84 ambi=2 { CG1:25.7 } atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } :: atom: 905 82I-HG13 G1 1.29 ambi=2 { CG1:25.7 } atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } ::sumAvg: 4.13 atom: 720 67G-HA2 A 4.93 ambi=2 { CA:45.8 } atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } :: atom: 721 67G-HA3 A 4.31 ambi=2 { CA:45.8 } atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } ::sumAvg: 4.045 atom: 730 68K-HD2 D 1.55 ambi=2 { CD:29.6 } atom: 724 68K-H N 8.54 ambi=1 { N:121.3 } :: atom: 731 68K-HD3 D 1.68 ambi=2 { CD:29.6 } atom: 724 68K-H N 8.54 ambi=1 { N:121.3 } ::sumAvg: 4.995 atom: 732 68K-QE E 2.95 ambi=2 { CE:42.2 } atom: 724 68K-H N 8.54 ambi=1 { N:121.3 } ::sumAvg: 4.96 atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } atom: 724 68K-H N 8.54 ambi=1 { N:121.3 } ::sumAvg: 4.83 atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } atom: 724 68K-H N 8.54 ambi=1 { N:121.3 } ::sumAvg: 4.2 atom: 725 68K-HA A 5.61 ambi=1 { CA:53.9 } atom: 732 68K-QE E 2.95 ambi=2 { CE:42.2 } ::sumAvg: 4.245 atom: 725 68K-HA A 5.61 ambi=1 { CA:53.9 } atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } :: atom: 725 68K-HA A 5.61 ambi=1 { CA:53.9 } atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } ::sumAvg: 4.25 atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } atom: 725 68K-HA A 5.61 ambi=1 { CA:53.9 } :: atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } atom: 725 68K-HA A 5.61 ambi=1 { CA:53.9 } ::sumAvg: 4.25 atom: 725 68K-HA A 5.61 ambi=1 { CA:53.9 } atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } ::sumAvg: 4.4 atom: 725 68K-HA A 5.61 ambi=1 { CA:53.9 } atom: 896 81D-HB2 B 2.72 ambi=2 { CB:41.3 } :: atom: 725 68K-HA A 5.61 ambi=1 { CA:53.9 } atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } ::sumAvg: 4.82 atom: 896 81D-HB2 B 2.72 ambi=2 { CB:41.3 } atom: 725 68K-HA A 5.61 ambi=1 { CA:53.9 } :: atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } atom: 725 68K-HA A 5.61 ambi=1 { CA:53.9 } ::sumAvg: 4.82 atom: 725 68K-HA A 5.61 ambi=1 { CA:53.9 } atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } ::sumAvg: 4.275 atom: 726 68K-HB2 B 1.44 ambi=1 { CB:38.2 } atom: 732 68K-QE E 2.95 ambi=2 { CE:42.2 } :: atom: 727 68K-HB3 B 1.49 ambi=1 { CB:38.2 } atom: 732 68K-QE E 2.95 ambi=2 { CE:42.2 } ::sumAvg: 2.97 atom: 726 68K-HB2 B 1.44 ambi=1 { CB:38.2 } atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } :: atom: 727 68K-HB3 B 1.49 ambi=1 { CB:38.2 } atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } ::sumAvg: 4.87 atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } atom: 726 68K-HB2 B 1.44 ambi=1 { CB:38.2 } :: atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } atom: 727 68K-HB3 B 1.49 ambi=1 { CB:38.2 } ::sumAvg: 4.87 atom: 726 68K-HB2 B 1.44 ambi=1 { CB:38.2 } atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } :: atom: 727 68K-HB3 B 1.49 ambi=1 { CB:38.2 } atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } ::sumAvg: 4.08 atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } atom: 726 68K-HB2 B 1.44 ambi=1 { CB:38.2 } :: atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } atom: 727 68K-HB3 B 1.49 ambi=1 { CB:38.2 } ::sumAvg: 4.08 atom: 726 68K-HB2 B 1.44 ambi=1 { CB:38.2 } atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } :: atom: 727 68K-HB3 B 1.49 ambi=1 { CB:38.2 } atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } ::sumAvg: 3.52 atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } atom: 726 68K-HB2 B 1.44 ambi=1 { CB:38.2 } :: atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } atom: 727 68K-HB3 B 1.49 ambi=1 { CB:38.2 } ::sumAvg: 3.52 atom: 726 68K-HB2 B 1.44 ambi=1 { CB:38.2 } atom: 756 70W-HH2 H2 6.84 ambi=1 { CH2:123.5 } ::sumAvg: 4.475 atom: 726 68K-HB2 B 1.44 ambi=1 { CB:38.2 } atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } :: atom: 727 68K-HB3 B 1.49 ambi=1 { CB:38.2 } atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } ::sumAvg: 4.515 atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } atom: 726 68K-HB2 B 1.44 ambi=1 { CB:38.2 } :: atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } atom: 727 68K-HB3 B 1.49 ambi=1 { CB:38.2 } ::sumAvg: 4.515 atom: 726 68K-HB2 B 1.44 ambi=1 { CB:38.2 } atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } :: atom: 727 68K-HB3 B 1.49 ambi=1 { CB:38.2 } atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } ::sumAvg: 4.605 atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } atom: 726 68K-HB2 B 1.44 ambi=1 { CB:38.2 } :: atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } atom: 727 68K-HB3 B 1.49 ambi=1 { CB:38.2 } ::sumAvg: 4.605 atom: 726 68K-HB2 B 1.44 ambi=1 { CB:38.2 } atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } :: atom: 727 68K-HB3 B 1.49 ambi=1 { CB:38.2 } atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } ::sumAvg: 4.67 atom: 895 81D-HA A 5.42 ambi=1 { CA:54.7 } atom: 726 68K-HB2 B 1.44 ambi=1 { CB:38.2 } :: atom: 895 81D-HA A 5.42 ambi=1 { CA:54.7 } atom: 727 68K-HB3 B 1.49 ambi=1 { CB:38.2 } ::sumAvg: 4.115 atom: 727 68K-HB3 B 1.49 ambi=1 { CB:38.2 } atom: 901 82I-H N 8.46 ambi=1 { N:113.7 } ::sumAvg: 4.985 atom: 728 68K-HG2 G 1.43 ambi=2 { CG:24.8 } atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } :: atom: 729 68K-HG3 G 1.57 ambi=2 { CG:24.8 } atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } ::sumAvg: 4.88 atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } atom: 728 68K-HG2 G 1.43 ambi=2 { CG:24.8 } :: atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } atom: 729 68K-HG3 G 1.57 ambi=2 { CG:24.8 } ::sumAvg: 4.88 atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } atom: 728 68K-HG2 G 1.43 ambi=2 { CG:24.8 } :: atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } atom: 729 68K-HG3 G 1.57 ambi=2 { CG:24.8 } ::sumAvg: 4.61 atom: 728 68K-HG2 G 1.43 ambi=2 { CG:24.8 } atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } :: atom: 729 68K-HG3 G 1.57 ambi=2 { CG:24.8 } atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } ::sumAvg: 4.05 atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } atom: 728 68K-HG2 G 1.43 ambi=2 { CG:24.8 } :: atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } atom: 729 68K-HG3 G 1.57 ambi=2 { CG:24.8 } ::sumAvg: 4.05 atom: 728 68K-HG2 G 1.43 ambi=2 { CG:24.8 } atom: 756 70W-HH2 H2 6.84 ambi=1 { CH2:123.5 } :: atom: 729 68K-HG3 G 1.57 ambi=2 { CG:24.8 } atom: 756 70W-HH2 H2 6.84 ambi=1 { CH2:123.5 } ::sumAvg: 4.835 atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } atom: 728 68K-HG2 G 1.43 ambi=2 { CG:24.8 } ::sumAvg: 4.49 atom: 728 68K-HG2 G 1.43 ambi=2 { CG:24.8 } atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } :: atom: 729 68K-HG3 G 1.57 ambi=2 { CG:24.8 } atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } ::sumAvg: 4.495 atom: 730 68K-HD2 D 1.55 ambi=2 { CD:29.6 } atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } :: atom: 731 68K-HD3 D 1.68 ambi=2 { CD:29.6 } atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } ::sumAvg: 4.675 atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } atom: 730 68K-HD2 D 1.55 ambi=2 { CD:29.6 } :: atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } atom: 731 68K-HD3 D 1.68 ambi=2 { CD:29.6 } ::sumAvg: 4.675 atom: 730 68K-HD2 D 1.55 ambi=2 { CD:29.6 } atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } :: atom: 731 68K-HD3 D 1.68 ambi=2 { CD:29.6 } atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } ::sumAvg: 4.06 atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } atom: 730 68K-HD2 D 1.55 ambi=2 { CD:29.6 } :: atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } atom: 731 68K-HD3 D 1.68 ambi=2 { CD:29.6 } ::sumAvg: 4.06 atom: 730 68K-HD2 D 1.55 ambi=2 { CD:29.6 } atom: 756 70W-HH2 H2 6.84 ambi=1 { CH2:123.5 } :: atom: 731 68K-HD3 D 1.68 ambi=2 { CD:29.6 } atom: 756 70W-HH2 H2 6.84 ambi=1 { CH2:123.5 } ::sumAvg: 3.845 atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } atom: 730 68K-HD2 D 1.55 ambi=2 { CD:29.6 } ::sumAvg: 3.8 atom: 730 68K-HD2 D 1.55 ambi=2 { CD:29.6 } atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } :: atom: 731 68K-HD3 D 1.68 ambi=2 { CD:29.6 } atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } ::sumAvg: 4.805 atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } atom: 732 68K-QE E 2.95 ambi=2 { CE:42.2 } ::sumAvg: 4.23 atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } atom: 732 68K-QE E 2.95 ambi=2 { CE:42.2 } ::sumAvg: 4.405 atom: 732 68K-QE E 2.95 ambi=2 { CE:42.2 } atom: 895 81D-HA A 5.42 ambi=1 { CA:54.7 } ::sumAvg: 4.035 atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } ::sumAvg: 4.83 atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } ::sumAvg: 4.22 atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } ::sumAvg: 4.75 atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } ::sumAvg: 4.815 atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } ::sumAvg: 4.77 atom: 878 80F-HA A 5.09 ambi=1 { CA:56 } atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } ::sumAvg: 4.795 atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } ::sumAvg: 4.585 atom: 904 82I-HG12 G1 0.84 ambi=2 { CG1:25.7 } atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } :: atom: 905 82I-HG13 G1 1.29 ambi=2 { CG1:25.7 } atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } ::sumAvg: 3.865 atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } atom: 740 69C-H N 9.17 ambi=1 { N:114.4 } ::sumAvg: 4.665 atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } ::sumAvg: 4.4 atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } ::sumAvg: 4.4 atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } atom: 749 70W-HB2 B 3.11 ambi=1 { CB:32.6 } :: atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } atom: 750 70W-HB3 B 3.29 ambi=1 { CB:32.6 } ::sumAvg: 4.92 atom: 749 70W-HB2 B 3.11 ambi=1 { CB:32.6 } atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } :: atom: 750 70W-HB3 B 3.29 ambi=1 { CB:32.6 } atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } ::sumAvg: 4.92 atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } ::sumAvg: 2.87 atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } ::sumAvg: 2.87 atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } ::sumAvg: 3.74 atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } ::sumAvg: 3.74 atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } ::sumAvg: 4.73 atom: 1584 146L-HD1 D1 0.88 ambi=2 { CD1:23 } atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } :: atom: 1585 146L-HD2 D2 1.14 ambi=2 { CD2:27.6 } atom: 741 69C-HA A 5.55 ambi=1 { CA:55.2 } ::sumAvg: 4.91 atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } :: atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } ::sumAvg: 4.7 atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } :: atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } ::sumAvg: 4.7 atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } :: atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } ::sumAvg: 4.395 atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } atom: 879 80F-HB2 B 2.71 ambi=2 { CB:42.6 } ::sumAvg: 3.69 atom: 879 80F-HB2 B 2.71 ambi=2 { CB:42.6 } atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } ::sumAvg: 3.69 atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } :: atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } ::sumAvg: 3.83 atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } :: atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } ::sumAvg: 3.83 atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } atom: 904 82I-HG12 G1 0.84 ambi=2 { CG1:25.7 } :: atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } atom: 905 82I-HG13 G1 1.29 ambi=2 { CG1:25.7 } :: atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } atom: 904 82I-HG12 G1 0.84 ambi=2 { CG1:25.7 } :: atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } atom: 905 82I-HG13 G1 1.29 ambi=2 { CG1:25.7 } ::sumAvg: 3.855 atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } :: atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } ::sumAvg: 3.19 atom: 742 69C-HB2 B 2.94 ambi=2 { CB:32.7 } atom: 1535 142L-HG G 1.88 ambi=1 { CG:27 } :: atom: 743 69C-HB3 B 3.39 ambi=2 { CB:32.7 } atom: 1535 142L-HG G 1.88 ambi=1 { CG:27 } ::sumAvg: 4.36 atom: 751 70W-HD1 D1 7.03 ambi=1 { CD1:125.9 } atom: 747 70W-H N 9.24 ambi=1 { N:117.5 } ::sumAvg: 4.635 atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } atom: 747 70W-H N 9.24 ambi=1 { N:117.5 } ::sumAvg: 2.955 atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } atom: 747 70W-H N 9.24 ambi=1 { N:117.5 } ::sumAvg: 4.84 atom: 1584 146L-HD1 D1 0.88 ambi=2 { CD1:23 } atom: 747 70W-H N 9.24 ambi=1 { N:117.5 } :: atom: 1585 146L-HD2 D2 1.14 ambi=2 { CD2:27.6 } atom: 747 70W-H N 9.24 ambi=1 { N:117.5 } ::sumAvg: 4.215 atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } atom: 767 71Y-HA A 4.84 ambi=1 { CA:57.7 } ::sumAvg: 4.415 atom: 767 71Y-HA A 4.84 ambi=1 { CA:57.7 } atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } ::sumAvg: 4.415 atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } atom: 768 71Y-QB B 3.01 ambi=2 { CB:44 } ::sumAvg: 3.965 atom: 768 71Y-QB B 3.01 ambi=2 { CB:44 } atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } ::sumAvg: 3.965 atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } atom: 751 70W-HD1 D1 7.03 ambi=1 { CD1:125.9 } ::sumAvg: 3.805 atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } ::sumAvg: 4.24 atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } ::sumAvg: 4.24 atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } atom: 770 71Y-QD D 6.96 ambi=3 { CD1:131.9 } ::sumAvg: 4.64 atom: 770 71Y-QD D 6.96 ambi=3 { CD1:131.9 } atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } ::sumAvg: 4.64 atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } atom: 852 78Y-H N 9.53 ambi=1 { N:129.3 } ::sumAvg: 4.805 atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } atom: 867 79E-H N 8.12 ambi=1 { N:122.6 } ::sumAvg: 4.92 atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } ::sumAvg: 3.815 atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } ::sumAvg: 3.815 atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } ::sumAvg: 4.395 atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } ::sumAvg: 4.395 atom: 879 80F-HB2 B 2.71 ambi=2 { CB:42.6 } atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } :: atom: 880 80F-HB3 B 3.07 ambi=2 { CB:42.6 } atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } ::sumAvg: 4.995 atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } ::sumAvg: 3.63 atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } ::sumAvg: 3.63 atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } ::sumAvg: 4.65 atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } ::sumAvg: 4.65 atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } atom: 1584 146L-HD1 D1 0.88 ambi=2 { CD1:23 } :: atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } atom: 1585 146L-HD2 D2 1.14 ambi=2 { CD2:27.6 } ::sumAvg: 4.855 atom: 1584 146L-HD1 D1 0.88 ambi=2 { CD1:23 } atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } :: atom: 1585 146L-HD2 D2 1.14 ambi=2 { CD2:27.6 } atom: 748 70W-HA A 6.21 ambi=1 { CA:56.7 } ::sumAvg: 4.855 atom: 749 70W-HB2 B 3.11 ambi=1 { CB:32.6 } atom: 767 71Y-HA A 4.84 ambi=1 { CA:57.7 } :: atom: 750 70W-HB3 B 3.29 ambi=1 { CB:32.6 } atom: 767 71Y-HA A 4.84 ambi=1 { CA:57.7 } ::sumAvg: 4.665 atom: 767 71Y-HA A 4.84 ambi=1 { CA:57.7 } atom: 749 70W-HB2 B 3.11 ambi=1 { CB:32.6 } :: atom: 767 71Y-HA A 4.84 ambi=1 { CA:57.7 } atom: 750 70W-HB3 B 3.29 ambi=1 { CB:32.6 } ::sumAvg: 4.665 atom: 749 70W-HB2 B 3.11 ambi=1 { CB:32.6 } atom: 751 70W-HD1 D1 7.03 ambi=1 { CD1:125.9 } :: atom: 750 70W-HB3 B 3.29 ambi=1 { CB:32.6 } atom: 751 70W-HD1 D1 7.03 ambi=1 { CD1:125.9 } ::sumAvg: 3.065 atom: 749 70W-HB2 B 3.11 ambi=1 { CB:32.6 } atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } :: atom: 750 70W-HB3 B 3.29 ambi=1 { CB:32.6 } atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } ::sumAvg: 3.38 atom: 749 70W-HB2 B 3.11 ambi=1 { CB:32.6 } atom: 787 72I-HD1 D1 0.82 ambi=1 { CD1:12.7 } ::sumAvg: 4.995 atom: 787 72I-HD1 D1 0.82 ambi=1 { CD1:12.7 } atom: 749 70W-HB2 B 3.11 ambi=1 { CB:32.6 } ::sumAvg: 4.995 atom: 749 70W-HB2 B 3.11 ambi=1 { CB:32.6 } atom: 844 77K-HE2 E 2.27 ambi=2 { CE:41.3 } :: atom: 749 70W-HB2 B 3.11 ambi=1 { CB:32.6 } atom: 845 77K-HE3 E 2.37 ambi=2 { CE:41.3 } :: atom: 750 70W-HB3 B 3.29 ambi=1 { CB:32.6 } atom: 844 77K-HE2 E 2.27 ambi=2 { CE:41.3 } :: atom: 750 70W-HB3 B 3.29 ambi=1 { CB:32.6 } atom: 845 77K-HE3 E 2.37 ambi=2 { CE:41.3 } ::sumAvg: 4.56 atom: 844 77K-HE2 E 2.27 ambi=2 { CE:41.3 } atom: 749 70W-HB2 B 3.11 ambi=1 { CB:32.6 } :: atom: 845 77K-HE3 E 2.37 ambi=2 { CE:41.3 } atom: 749 70W-HB2 B 3.11 ambi=1 { CB:32.6 } :: atom: 844 77K-HE2 E 2.27 ambi=2 { CE:41.3 } atom: 750 70W-HB3 B 3.29 ambi=1 { CB:32.6 } :: atom: 845 77K-HE3 E 2.37 ambi=2 { CE:41.3 } atom: 750 70W-HB3 B 3.29 ambi=1 { CB:32.6 } ::sumAvg: 4.56 atom: 749 70W-HB2 B 3.11 ambi=1 { CB:32.6 } atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } :: atom: 750 70W-HB3 B 3.29 ambi=1 { CB:32.6 } atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } ::sumAvg: 3.265 atom: 749 70W-HB2 B 3.11 ambi=1 { CB:32.6 } atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } :: atom: 750 70W-HB3 B 3.29 ambi=1 { CB:32.6 } atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } ::sumAvg: 3.455 atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } atom: 749 70W-HB2 B 3.11 ambi=1 { CB:32.6 } :: atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } atom: 750 70W-HB3 B 3.29 ambi=1 { CB:32.6 } ::sumAvg: 3.455 atom: 749 70W-HB2 B 3.11 ambi=1 { CB:32.6 } atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } :: atom: 750 70W-HB3 B 3.29 ambi=1 { CB:32.6 } atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } ::sumAvg: 4.335 atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } atom: 749 70W-HB2 B 3.11 ambi=1 { CB:32.6 } :: atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } atom: 750 70W-HB3 B 3.29 ambi=1 { CB:32.6 } ::sumAvg: 4.335 atom: 750 70W-HB3 B 3.29 ambi=1 { CB:32.6 } atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } ::sumAvg: 4.705 atom: 751 70W-HD1 D1 7.03 ambi=1 { CD1:125.9 } atom: 766 71Y-H N 9.23 ambi=1 { N:121.1 } ::sumAvg: 3.95 atom: 751 70W-HD1 D1 7.03 ambi=1 { CD1:125.9 } atom: 844 77K-HE2 E 2.27 ambi=2 { CE:41.3 } :: atom: 751 70W-HD1 D1 7.03 ambi=1 { CD1:125.9 } atom: 845 77K-HE3 E 2.37 ambi=2 { CE:41.3 } ::sumAvg: 3.075 atom: 751 70W-HD1 D1 7.03 ambi=1 { CD1:125.9 } atom: 852 78Y-H N 9.53 ambi=1 { N:129.3 } ::sumAvg: 4.92 atom: 751 70W-HD1 D1 7.03 ambi=1 { CD1:125.9 } atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } ::sumAvg: 4.34 atom: 756 70W-HH2 H2 6.84 ambi=1 { CH2:123.5 } atom: 752 70W-HE1 E1 10.66 ambi=1 { NE1:131.3 } ::sumAvg: 4.975 atom: 840 77K-QG G 1.18 ambi=2 { CG:25.6 } atom: 752 70W-HE1 E1 10.66 ambi=1 { NE1:131.3 } ::sumAvg: 4.795 atom: 844 77K-HE2 E 2.27 ambi=2 { CE:41.3 } atom: 752 70W-HE1 E1 10.66 ambi=1 { NE1:131.3 } :: atom: 845 77K-HE3 E 2.37 ambi=2 { CE:41.3 } atom: 752 70W-HE1 E1 10.66 ambi=1 { NE1:131.3 } ::sumAvg: 3.865 atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } ::sumAvg: 4.7 atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } ::sumAvg: 4.7 atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } ::sumAvg: 4.73 atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } ::sumAvg: 4.955 atom: 755 70W-HZ3 Z3 6.61 ambi=1 { CZ3:120.5 } atom: 754 70W-HZ2 Z2 7.17 ambi=1 { CZ2:114.1 } ::sumAvg: 4.29 atom: 756 70W-HH2 H2 6.84 ambi=1 { CH2:123.5 } atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } ::sumAvg: 4.255 atom: 753 70W-HE3 E3 7.27 ambi=1 { CE3:119.9 } atom: 756 70W-HH2 H2 6.84 ambi=1 { CH2:123.5 } ::sumAvg: 4.255 atom: 770 71Y-QD D 6.96 ambi=3 { CD1:131.9 } atom: 766 71Y-H N 9.23 ambi=1 { N:121.1 } ::sumAvg: 3.75 atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } atom: 766 71Y-H N 9.23 ambi=1 { N:121.1 } ::sumAvg: 4.635 atom: 784 72I-HG12 G1 0.96 ambi=2 { CG1:27.8 } atom: 766 71Y-H N 9.23 ambi=1 { N:121.1 } :: atom: 785 72I-HG13 G1 1.57 ambi=2 { CG1:27.8 } atom: 766 71Y-H N 9.23 ambi=1 { N:121.1 } ::sumAvg: 4.71 atom: 837 77K-HA A 4.75 ambi=1 { CA:56.1 } atom: 766 71Y-H N 9.23 ambi=1 { N:121.1 } ::sumAvg: 4.62 atom: 854 78Y-HB2 B 2.88 ambi=2 { CB:39.5 } atom: 766 71Y-H N 9.23 ambi=1 { N:121.1 } :: atom: 855 78Y-HB3 B 3.29 ambi=2 { CB:39.5 } atom: 766 71Y-H N 9.23 ambi=1 { N:121.1 } ::sumAvg: 4.475 atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } atom: 766 71Y-H N 9.23 ambi=1 { N:121.1 } ::sumAvg: 4.555 atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } atom: 766 71Y-H N 9.23 ambi=1 { N:121.1 } ::sumAvg: 4.3 atom: 770 71Y-QD D 6.96 ambi=3 { CD1:131.9 } atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } ::sumAvg: 4.38 atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } atom: 770 71Y-QD D 6.96 ambi=3 { CD1:131.9 } ::sumAvg: 4.38 atom: 795 73H-HA A 4.82 ambi=1 { CA:55.6 } atom: 770 71Y-QD D 6.96 ambi=3 { CD1:131.9 } ::sumAvg: 4.83 atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } atom: 770 71Y-QD D 6.96 ambi=3 { CD1:131.9 } :: atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } atom: 770 71Y-QD D 6.96 ambi=3 { CD1:131.9 } ::sumAvg: 4.375 atom: 770 71Y-QD D 6.96 ambi=3 { CD1:131.9 } atom: 1593 147A-HA A 3.86 ambi=1 { CA:53.8 } ::sumAvg: 4.82 atom: 1593 147A-HA A 3.86 ambi=1 { CA:53.8 } atom: 770 71Y-QD D 6.96 ambi=3 { CD1:131.9 } ::sumAvg: 4.82 atom: 1594 147A-HB B 1.43 ambi=1 { CB:18.2 } atom: 770 71Y-QD D 6.96 ambi=3 { CD1:131.9 } ::sumAvg: 4.595 atom: 1620 150I-HB B 1.56 ambi=1 { CB:30.6 } atom: 770 71Y-QD D 6.96 ambi=3 { CD1:131.9 } ::sumAvg: 4.335 atom: 770 71Y-QD D 6.96 ambi=3 { CD1:131.9 } atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } ::sumAvg: 4.35 atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } atom: 770 71Y-QD D 6.96 ambi=3 { CD1:131.9 } ::sumAvg: 4.35 atom: 772 71Y-QE E 6.69 ambi=3 { CE1:117.3 } atom: 781 72I-H N 8.07 ambi=1 { N:128.9 } ::sumAvg: 4.85 atom: 772 71Y-QE E 6.69 ambi=3 { CE1:117.3 } atom: 795 73H-HA A 4.82 ambi=1 { CA:55.6 } ::sumAvg: 4.1 atom: 795 73H-HA A 4.82 ambi=1 { CA:55.6 } atom: 772 71Y-QE E 6.69 ambi=3 { CE1:117.3 } ::sumAvg: 4.1 atom: 772 71Y-QE E 6.69 ambi=3 { CE1:117.3 } atom: 798 73H-HD2 D2 7.19 ambi=1 { CD2:119.9 } ::sumAvg: 4.815 atom: 798 73H-HD2 D2 7.19 ambi=1 { CD2:119.9 } atom: 772 71Y-QE E 6.69 ambi=3 { CE1:117.3 } ::sumAvg: 4.815 atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } atom: 772 71Y-QE E 6.69 ambi=3 { CE1:117.3 } :: atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } atom: 772 71Y-QE E 6.69 ambi=3 { CE1:117.3 } ::sumAvg: 4.79 atom: 772 71Y-QE E 6.69 ambi=3 { CE1:117.3 } atom: 1620 150I-HB B 1.56 ambi=1 { CB:30.6 } ::sumAvg: 4.88 atom: 1620 150I-HB B 1.56 ambi=1 { CB:30.6 } atom: 772 71Y-QE E 6.69 ambi=3 { CE1:117.3 } ::sumAvg: 4.88 atom: 1632 151P-HB2 B 1.66 ambi=2 { CB:30.6 } atom: 772 71Y-QE E 6.69 ambi=3 { CE1:117.3 } :: atom: 1633 151P-HB3 B 2.07 ambi=2 { CB:30.6 } atom: 772 71Y-QE E 6.69 ambi=3 { CE1:117.3 } ::sumAvg: 4.72 atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } atom: 772 71Y-QE E 6.69 ambi=3 { CE1:117.3 } ::sumAvg: 4.27 atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } atom: 796 73H-HB2 B 2.85 ambi=1 { CB:34.3 } :: atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } atom: 797 73H-HB3 B 3.25 ambi=1 { CB:34.3 } ::sumAvg: 4.55 atom: 796 73H-HB2 B 2.85 ambi=1 { CB:34.3 } atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } :: atom: 797 73H-HB3 B 3.25 ambi=1 { CB:34.3 } atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } ::sumAvg: 4.55 atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } atom: 823 76L-H N 7.9 ambi=1 { N:121.8 } ::sumAvg: 4.355 atom: 825 76L-HB2 B 0.6 ambi=1 { CB:43.1 } atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } ::sumAvg: 4.77 atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } atom: 836 77K-H N 8.45 ambi=1 { N:121.7 } ::sumAvg: 4.85 atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } atom: 838 77K-HB2 B 1.51 ambi=2 { CB:34.2 } :: atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } atom: 839 77K-HB3 B 1.74 ambi=2 { CB:34.2 } ::sumAvg: 4.505 atom: 838 77K-HB2 B 1.51 ambi=2 { CB:34.2 } atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } :: atom: 839 77K-HB3 B 1.74 ambi=2 { CB:34.2 } atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } ::sumAvg: 4.505 atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } atom: 840 77K-QG G 1.18 ambi=2 { CG:25.6 } ::sumAvg: 4.32 atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } atom: 782 72I-HA A 5.13 ambi=1 { CA:59.6 } ::sumAvg: 4.2 atom: 795 73H-HA A 4.82 ambi=1 { CA:55.6 } atom: 783 72I-HB B 1.63 ambi=1 { CB:38.1 } ::sumAvg: 4.69 atom: 787 72I-HD1 D1 0.82 ambi=1 { CD1:12.7 } atom: 811 75L-HA A 3.58 ambi=1 { CA:57.1 } ::sumAvg: 4.98 atom: 837 77K-HA A 4.75 ambi=1 { CA:56.1 } atom: 787 72I-HD1 D1 0.82 ambi=1 { CD1:12.7 } ::sumAvg: 3.07 atom: 838 77K-HB2 B 1.51 ambi=2 { CB:34.2 } atom: 787 72I-HD1 D1 0.82 ambi=1 { CD1:12.7 } :: atom: 839 77K-HB3 B 1.74 ambi=2 { CB:34.2 } atom: 787 72I-HD1 D1 0.82 ambi=1 { CD1:12.7 } ::sumAvg: 2.89 atom: 784 72I-HG12 G1 0.96 ambi=2 { CG1:27.8 } atom: 838 77K-HB2 B 1.51 ambi=2 { CB:34.2 } :: atom: 784 72I-HG12 G1 0.96 ambi=2 { CG1:27.8 } atom: 839 77K-HB3 B 1.74 ambi=2 { CB:34.2 } ::sumAvg: 3.76 atom: 784 72I-HG12 G1 0.96 ambi=2 { CG1:27.8 } atom: 844 77K-HE2 E 2.27 ambi=2 { CE:41.3 } :: atom: 784 72I-HG12 G1 0.96 ambi=2 { CG1:27.8 } atom: 845 77K-HE3 E 2.37 ambi=2 { CE:41.3 } :: atom: 785 72I-HG13 G1 1.57 ambi=2 { CG1:27.8 } atom: 844 77K-HE2 E 2.27 ambi=2 { CE:41.3 } :: atom: 785 72I-HG13 G1 1.57 ambi=2 { CG1:27.8 } atom: 845 77K-HE3 E 2.37 ambi=2 { CE:41.3 } ::sumAvg: 4.91 atom: 784 72I-HG12 G1 0.96 ambi=2 { CG1:27.8 } atom: 852 78Y-H N 9.53 ambi=1 { N:129.3 } :: atom: 785 72I-HG13 G1 1.57 ambi=2 { CG1:27.8 } atom: 852 78Y-H N 9.53 ambi=1 { N:129.3 } ::sumAvg: 4.63 atom: 795 73H-HA A 4.82 ambi=1 { CA:55.6 } atom: 786 72I-HG2 G2 0.64 ambi=1 { CG2:17.1 } ::sumAvg: 3.335 atom: 786 72I-HG2 G2 0.64 ambi=1 { CG2:17.1 } atom: 796 73H-HB2 B 2.85 ambi=1 { CB:34.3 } :: atom: 786 72I-HG2 G2 0.64 ambi=1 { CG2:17.1 } atom: 797 73H-HB3 B 3.25 ambi=1 { CB:34.3 } ::sumAvg: 4.81 atom: 796 73H-HB2 B 2.85 ambi=1 { CB:34.3 } atom: 786 72I-HG2 G2 0.64 ambi=1 { CG2:17.1 } :: atom: 797 73H-HB3 B 3.25 ambi=1 { CB:34.3 } atom: 786 72I-HG2 G2 0.64 ambi=1 { CG2:17.1 } ::sumAvg: 4.81 atom: 786 72I-HG2 G2 0.64 ambi=1 { CG2:17.1 } atom: 803 74D-H N 9.03 ambi=1 { N:131.6 } ::sumAvg: 3.94 atom: 786 72I-HG2 G2 0.64 ambi=1 { CG2:17.1 } atom: 804 74D-HA A 4.02 ambi=1 { CA:55.4 } ::sumAvg: 4.995 atom: 804 74D-HA A 4.02 ambi=1 { CA:55.4 } atom: 786 72I-HG2 G2 0.64 ambi=1 { CG2:17.1 } ::sumAvg: 4.995 atom: 812 75L-HB2 B 1.57 ambi=2 { CB:39.8 } atom: 786 72I-HG2 G2 0.64 ambi=1 { CG2:17.1 } :: atom: 813 75L-HB3 B 2.1 ambi=2 { CB:39.8 } atom: 786 72I-HG2 G2 0.64 ambi=1 { CG2:17.1 } ::sumAvg: 4.95 atom: 786 72I-HG2 G2 0.64 ambi=1 { CG2:17.1 } atom: 824 76L-HA A 4.47 ambi=1 { CA:53.6 } ::sumAvg: 4.2 atom: 786 72I-HG2 G2 0.64 ambi=1 { CG2:17.1 } atom: 836 77K-H N 8.45 ambi=1 { N:121.7 } ::sumAvg: 4.255 atom: 837 77K-HA A 4.75 ambi=1 { CA:56.1 } atom: 786 72I-HG2 G2 0.64 ambi=1 { CG2:17.1 } ::sumAvg: 3.37 atom: 838 77K-HB2 B 1.51 ambi=2 { CB:34.2 } atom: 786 72I-HG2 G2 0.64 ambi=1 { CG2:17.1 } :: atom: 839 77K-HB3 B 1.74 ambi=2 { CB:34.2 } atom: 786 72I-HG2 G2 0.64 ambi=1 { CG2:17.1 } ::sumAvg: 3.8 atom: 840 77K-QG G 1.18 ambi=2 { CG:25.6 } atom: 786 72I-HG2 G2 0.64 ambi=1 { CG2:17.1 } ::sumAvg: 4.405 atom: 786 72I-HG2 G2 0.64 ambi=1 { CG2:17.1 } atom: 852 78Y-H N 9.53 ambi=1 { N:129.3 } ::sumAvg: 4.91 atom: 824 76L-HA A 4.47 ambi=1 { CA:53.6 } atom: 794 73H-H N 9.14 ambi=1 { N:126.2 } ::sumAvg: 4.895 atom: 825 76L-HB2 B 0.6 ambi=1 { CB:43.1 } atom: 794 73H-H N 9.14 ambi=1 { N:126.2 } :: atom: 826 76L-HB3 B 1.93 ambi=1 { CB:43.1 } atom: 794 73H-H N 9.14 ambi=1 { N:126.2 } ::sumAvg: 3.325 atom: 837 77K-HA A 4.75 ambi=1 { CA:56.1 } atom: 794 73H-H N 9.14 ambi=1 { N:126.2 } ::sumAvg: 4.03 atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } atom: 794 73H-H N 9.14 ambi=1 { N:126.2 } ::sumAvg: 4.33 atom: 795 73H-HA A 4.82 ambi=1 { CA:55.6 } atom: 798 73H-HD2 D2 7.19 ambi=1 { CD2:119.9 } ::sumAvg: 4.065 atom: 805 74D-HB2 B 2.25 ambi=2 { CB:39 } atom: 795 73H-HA A 4.82 ambi=1 { CA:55.6 } :: atom: 806 74D-HB3 B 2.87 ambi=2 { CB:39 } atom: 795 73H-HA A 4.82 ambi=1 { CA:55.6 } ::sumAvg: 4.7 atom: 795 73H-HA A 4.82 ambi=1 { CA:55.6 } atom: 810 75L-H N 8.23 ambi=1 { N:108 } ::sumAvg: 4.56 atom: 795 73H-HA A 4.82 ambi=1 { CA:55.6 } atom: 823 76L-H N 7.9 ambi=1 { N:121.8 } ::sumAvg: 4.54 atom: 796 73H-HB2 B 2.85 ambi=1 { CB:34.3 } atom: 803 74D-H N 9.03 ambi=1 { N:131.6 } :: atom: 797 73H-HB3 B 3.25 ambi=1 { CB:34.3 } atom: 803 74D-H N 9.03 ambi=1 { N:131.6 } ::sumAvg: 4.185 atom: 797 73H-HB3 B 3.25 ambi=1 { CB:34.3 } atom: 805 74D-HB2 B 2.25 ambi=2 { CB:39 } ::sumAvg: 4.34 atom: 805 74D-HB2 B 2.25 ambi=2 { CB:39 } atom: 797 73H-HB3 B 3.25 ambi=1 { CB:34.3 } ::sumAvg: 4.34 atom: 797 73H-HB3 B 3.25 ambi=1 { CB:34.3 } atom: 823 76L-H N 7.9 ambi=1 { N:121.8 } ::sumAvg: 4.47 atom: 797 73H-HB3 B 3.25 ambi=1 { CB:34.3 } atom: 825 76L-HB2 B 0.6 ambi=1 { CB:43.1 } ::sumAvg: 3.9 atom: 825 76L-HB2 B 0.6 ambi=1 { CB:43.1 } atom: 797 73H-HB3 B 3.25 ambi=1 { CB:34.3 } ::sumAvg: 3.9 atom: 797 73H-HB3 B 3.25 ambi=1 { CB:34.3 } atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } :: atom: 797 73H-HB3 B 3.25 ambi=1 { CB:34.3 } atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } ::sumAvg: 4.4 atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } atom: 797 73H-HB3 B 3.25 ambi=1 { CB:34.3 } :: atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } atom: 797 73H-HB3 B 3.25 ambi=1 { CB:34.3 } ::sumAvg: 4.4 atom: 797 73H-HB3 B 3.25 ambi=1 { CB:34.3 } atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } ::sumAvg: 4.42 atom: 796 73H-HB2 B 2.85 ambi=1 { CB:34.3 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } :: atom: 797 73H-HB3 B 3.25 ambi=1 { CB:34.3 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } ::sumAvg: 3.985 atom: 796 73H-HB2 B 2.85 ambi=1 { CB:34.3 } atom: 1631 151P-HA A 3.52 ambi=1 { CA:66.3 } ::sumAvg: 4.64 atom: 1631 151P-HA A 3.52 ambi=1 { CA:66.3 } atom: 796 73H-HB2 B 2.85 ambi=1 { CB:34.3 } ::sumAvg: 4.64 atom: 796 73H-HB2 B 2.85 ambi=1 { CB:34.3 } atom: 1632 151P-HB2 B 1.66 ambi=2 { CB:30.6 } :: atom: 796 73H-HB2 B 2.85 ambi=1 { CB:34.3 } atom: 1633 151P-HB3 B 2.07 ambi=2 { CB:30.6 } ::sumAvg: 4.7 atom: 1632 151P-HB2 B 1.66 ambi=2 { CB:30.6 } atom: 796 73H-HB2 B 2.85 ambi=1 { CB:34.3 } :: atom: 1633 151P-HB3 B 2.07 ambi=2 { CB:30.6 } atom: 796 73H-HB2 B 2.85 ambi=1 { CB:34.3 } ::sumAvg: 4.7 atom: 796 73H-HB2 B 2.85 ambi=1 { CB:34.3 } atom: 1634 151P-HG2 G 1.71 ambi=2 { CG:28.7 } :: atom: 796 73H-HB2 B 2.85 ambi=1 { CB:34.3 } atom: 1635 151P-HG3 G 2.05 ambi=2 { CG:28.7 } ::sumAvg: 4.54 atom: 1634 151P-HG2 G 1.71 ambi=2 { CG:28.7 } atom: 796 73H-HB2 B 2.85 ambi=1 { CB:34.3 } :: atom: 1635 151P-HG3 G 2.05 ambi=2 { CG:28.7 } atom: 796 73H-HB2 B 2.85 ambi=1 { CB:34.3 } ::sumAvg: 4.54 atom: 797 73H-HB3 B 3.25 ambi=1 { CB:34.3 } atom: 1667 154I-HG2 G2 0.81 ambi=1 { CG2:16.7 } ::sumAvg: 4.425 atom: 798 73H-HD2 D2 7.19 ambi=1 { CD2:119.9 } atom: 803 74D-H N 9.03 ambi=1 { N:131.6 } ::sumAvg: 4.705 atom: 798 73H-HD2 D2 7.19 ambi=1 { CD2:119.9 } atom: 1631 151P-HA A 3.52 ambi=1 { CA:66.3 } ::sumAvg: 4.425 atom: 1631 151P-HA A 3.52 ambi=1 { CA:66.3 } atom: 798 73H-HD2 D2 7.19 ambi=1 { CD2:119.9 } ::sumAvg: 4.425 atom: 798 73H-HD2 D2 7.19 ambi=1 { CD2:119.9 } atom: 1632 151P-HB2 B 1.66 ambi=2 { CB:30.6 } :: atom: 798 73H-HD2 D2 7.19 ambi=1 { CD2:119.9 } atom: 1633 151P-HB3 B 2.07 ambi=2 { CB:30.6 } ::sumAvg: 3.97 atom: 798 73H-HD2 D2 7.19 ambi=1 { CD2:119.9 } atom: 1667 154I-HG2 G2 0.81 ambi=1 { CG2:16.7 } ::sumAvg: 4.675 atom: 798 73H-HD2 D2 7.19 ambi=1 { CD2:119.9 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } ::sumAvg: 3.545 atom: 804 74D-HA A 4.02 ambi=1 { CA:55.4 } atom: 811 75L-HA A 3.58 ambi=1 { CA:57.1 } ::sumAvg: 4.655 atom: 811 75L-HA A 3.58 ambi=1 { CA:57.1 } atom: 804 74D-HA A 4.02 ambi=1 { CA:55.4 } ::sumAvg: 4.655 atom: 804 74D-HA A 4.02 ambi=1 { CA:55.4 } atom: 812 75L-HB2 B 1.57 ambi=2 { CB:39.8 } :: atom: 804 74D-HA A 4.02 ambi=1 { CA:55.4 } atom: 813 75L-HB3 B 2.1 ambi=2 { CB:39.8 } ::sumAvg: 4.78 atom: 812 75L-HB2 B 1.57 ambi=2 { CB:39.8 } atom: 804 74D-HA A 4.02 ambi=1 { CA:55.4 } :: atom: 813 75L-HB3 B 2.1 ambi=2 { CB:39.8 } atom: 804 74D-HA A 4.02 ambi=1 { CA:55.4 } ::sumAvg: 4.78 atom: 804 74D-HA A 4.02 ambi=1 { CA:55.4 } atom: 823 76L-H N 7.9 ambi=1 { N:121.8 } ::sumAvg: 4.455 atom: 812 75L-HB2 B 1.57 ambi=2 { CB:39.8 } atom: 805 74D-HB2 B 2.25 ambi=2 { CB:39 } :: atom: 812 75L-HB2 B 1.57 ambi=2 { CB:39.8 } atom: 806 74D-HB3 B 2.87 ambi=2 { CB:39 } :: atom: 813 75L-HB3 B 2.1 ambi=2 { CB:39.8 } atom: 806 74D-HB3 B 2.87 ambi=2 { CB:39 } ::sumAvg: 4.075 atom: 825 76L-HB2 B 0.6 ambi=1 { CB:43.1 } atom: 805 74D-HB2 B 2.25 ambi=2 { CB:39 } :: atom: 825 76L-HB2 B 0.6 ambi=1 { CB:43.1 } atom: 806 74D-HB3 B 2.87 ambi=2 { CB:39 } ::sumAvg: 3.95 atom: 805 74D-HB2 B 2.25 ambi=2 { CB:39 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } :: atom: 806 74D-HB3 B 2.87 ambi=2 { CB:39 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } ::sumAvg: 4.375 atom: 824 76L-HA A 4.47 ambi=1 { CA:53.6 } atom: 810 75L-H N 8.23 ambi=1 { N:108 } ::sumAvg: 4.93 atom: 825 76L-HB2 B 0.6 ambi=1 { CB:43.1 } atom: 810 75L-H N 8.23 ambi=1 { N:108 } ::sumAvg: 4.43 atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } atom: 810 75L-H N 8.23 ambi=1 { N:108 } :: atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } atom: 810 75L-H N 8.23 ambi=1 { N:108 } ::sumAvg: 4.895 atom: 811 75L-HA A 3.58 ambi=1 { CA:57.1 } atom: 824 76L-HA A 4.47 ambi=1 { CA:53.6 } ::sumAvg: 4.47 atom: 824 76L-HA A 4.47 ambi=1 { CA:53.6 } atom: 811 75L-HA A 3.58 ambi=1 { CA:57.1 } ::sumAvg: 4.47 atom: 827 76L-HG G 1.54 ambi=1 { CG:25.9 } atom: 811 75L-HA A 3.58 ambi=1 { CA:57.1 } ::sumAvg: 4.925 atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } atom: 811 75L-HA A 3.58 ambi=1 { CA:57.1 } :: atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } atom: 811 75L-HA A 3.58 ambi=1 { CA:57.1 } ::sumAvg: 4.975 atom: 812 75L-HB2 B 1.57 ambi=2 { CB:39.8 } atom: 823 76L-H N 7.9 ambi=1 { N:121.8 } :: atom: 813 75L-HB3 B 2.1 ambi=2 { CB:39.8 } atom: 823 76L-H N 7.9 ambi=1 { N:121.8 } ::sumAvg: 3.775 atom: 812 75L-HB2 B 1.57 ambi=2 { CB:39.8 } atom: 824 76L-HA A 4.47 ambi=1 { CA:53.6 } :: atom: 813 75L-HB3 B 2.1 ambi=2 { CB:39.8 } atom: 824 76L-HA A 4.47 ambi=1 { CA:53.6 } ::sumAvg: 4.64 atom: 827 76L-HG G 1.54 ambi=1 { CG:25.9 } atom: 813 75L-HB3 B 2.1 ambi=2 { CB:39.8 } ::sumAvg: 3.745 atom: 837 77K-HA A 4.75 ambi=1 { CA:56.1 } atom: 823 76L-H N 7.9 ambi=1 { N:121.8 } ::sumAvg: 4.9 atom: 824 76L-HA A 4.47 ambi=1 { CA:53.6 } atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } ::sumAvg: 4.93 atom: 824 76L-HA A 4.47 ambi=1 { CA:53.6 } atom: 858 78Y-QE E 6.77 ambi=3 { CE1:117.5 } ::sumAvg: 4.765 atom: 825 76L-HB2 B 0.6 ambi=1 { CB:43.1 } atom: 837 77K-HA A 4.75 ambi=1 { CA:56.1 } :: atom: 826 76L-HB3 B 1.93 ambi=1 { CB:43.1 } atom: 837 77K-HA A 4.75 ambi=1 { CA:56.1 } ::sumAvg: 4.855 atom: 837 77K-HA A 4.75 ambi=1 { CA:56.1 } atom: 825 76L-HB2 B 0.6 ambi=1 { CB:43.1 } :: atom: 837 77K-HA A 4.75 ambi=1 { CA:56.1 } atom: 826 76L-HB3 B 1.93 ambi=1 { CB:43.1 } ::sumAvg: 4.855 atom: 826 76L-HB3 B 1.93 ambi=1 { CB:43.1 } atom: 852 78Y-H N 9.53 ambi=1 { N:129.3 } ::sumAvg: 4.94 atom: 825 76L-HB2 B 0.6 ambi=1 { CB:43.1 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } :: atom: 826 76L-HB3 B 1.93 ambi=1 { CB:43.1 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } ::sumAvg: 3.695 atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } atom: 825 76L-HB2 B 0.6 ambi=1 { CB:43.1 } :: atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } atom: 826 76L-HB3 B 1.93 ambi=1 { CB:43.1 } ::sumAvg: 3.695 atom: 826 76L-HB3 B 1.93 ambi=1 { CB:43.1 } atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } ::sumAvg: 4.56 atom: 858 78Y-QE E 6.77 ambi=3 { CE1:117.5 } atom: 827 76L-HG G 1.54 ambi=1 { CG:25.9 } ::sumAvg: 4.92 atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } :: atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } ::sumAvg: 4.24 atom: 1666 154I-HG13 G1 1.33 ambi=2 { CG1:29.2 } atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } :: atom: 1666 154I-HG13 G1 1.33 ambi=2 { CG1:29.2 } atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } ::sumAvg: 4.38 atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } :: atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } ::sumAvg: 3.56 atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } ::sumAvg: 4.22 atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } atom: 1746 161H-HA A 4.05 ambi=1 { CA:57.3 } :: atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } atom: 1746 161H-HA A 4.05 ambi=1 { CA:57.3 } ::sumAvg: 4.815 atom: 1746 161H-HA A 4.05 ambi=1 { CA:57.3 } atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } :: atom: 1746 161H-HA A 4.05 ambi=1 { CA:57.3 } atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } ::sumAvg: 4.815 atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } atom: 1749 161H-HD2 D2 7.31 ambi=1 { CD2:120.5 } :: atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } atom: 1749 161H-HD2 D2 7.31 ambi=1 { CD2:120.5 } ::sumAvg: 4.93 atom: 1749 161H-HD2 D2 7.31 ambi=1 { CD2:120.5 } atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } :: atom: 1749 161H-HD2 D2 7.31 ambi=1 { CD2:120.5 } atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } ::sumAvg: 4.93 atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } atom: 1770 163E-H N 8.55 ambi=1 { N:119.4 } :: atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } atom: 1770 163E-H N 8.55 ambi=1 { N:119.4 } ::sumAvg: 4.295 atom: 1772 163E-HB2 B 1.93 ambi=2 { CB:31 } atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } :: atom: 1773 163E-HB3 B 2.09 ambi=2 { CB:31 } atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } :: atom: 1772 163E-HB2 B 1.93 ambi=2 { CB:31 } atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } :: atom: 1773 163E-HB3 B 2.09 ambi=2 { CB:31 } atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } ::sumAvg: 4.065 atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } atom: 1774 163E-QG G 2.2 ambi=2 { CG:36 } :: atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } atom: 1774 163E-QG G 2.2 ambi=2 { CG:36 } ::sumAvg: 4.03 atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } atom: 1796 165C-H N 8.4 ambi=1 { N:120.4 } :: atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } atom: 1796 165C-H N 8.4 ambi=1 { N:120.4 } ::sumAvg: 3.955 atom: 1797 165C-HA A 4.42 ambi=1 { CA:58.6 } atom: 828 76L-HD1 D1 0.41 ambi=2 { CD1:22.3 } :: atom: 1797 165C-HA A 4.42 ambi=1 { CA:58.6 } atom: 829 76L-HD2 D2 0.64 ambi=2 { CD2:24.8 } ::sumAvg: 4.92 atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } atom: 836 77K-H N 8.45 ambi=1 { N:121.7 } ::sumAvg: 4.395 atom: 837 77K-HA A 4.75 ambi=1 { CA:56.1 } atom: 854 78Y-HB2 B 2.88 ambi=2 { CB:39.5 } :: atom: 837 77K-HA A 4.75 ambi=1 { CA:56.1 } atom: 855 78Y-HB3 B 3.29 ambi=2 { CB:39.5 } ::sumAvg: 4.65 atom: 854 78Y-HB2 B 2.88 ambi=2 { CB:39.5 } atom: 837 77K-HA A 4.75 ambi=1 { CA:56.1 } :: atom: 855 78Y-HB3 B 3.29 ambi=2 { CB:39.5 } atom: 837 77K-HA A 4.75 ambi=1 { CA:56.1 } ::sumAvg: 4.65 atom: 837 77K-HA A 4.75 ambi=1 { CA:56.1 } atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } ::sumAvg: 3.93 atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } atom: 837 77K-HA A 4.75 ambi=1 { CA:56.1 } ::sumAvg: 3.93 atom: 838 77K-HB2 B 1.51 ambi=2 { CB:34.2 } atom: 844 77K-HE2 E 2.27 ambi=2 { CE:41.3 } :: atom: 838 77K-HB2 B 1.51 ambi=2 { CB:34.2 } atom: 845 77K-HE3 E 2.37 ambi=2 { CE:41.3 } :: atom: 839 77K-HB3 B 1.74 ambi=2 { CB:34.2 } atom: 844 77K-HE2 E 2.27 ambi=2 { CE:41.3 } :: atom: 839 77K-HB3 B 1.74 ambi=2 { CB:34.2 } atom: 845 77K-HE3 E 2.37 ambi=2 { CE:41.3 } ::sumAvg: 4.245 atom: 853 78Y-HA A 4.52 ambi=1 { CA:57.5 } atom: 838 77K-HB2 B 1.51 ambi=2 { CB:34.2 } :: atom: 853 78Y-HA A 4.52 ambi=1 { CA:57.5 } atom: 839 77K-HB3 B 1.74 ambi=2 { CB:34.2 } ::sumAvg: 4.795 atom: 853 78Y-HA A 4.52 ambi=1 { CA:57.5 } atom: 840 77K-QG G 1.18 ambi=2 { CG:25.6 } ::sumAvg: 3.865 atom: 840 77K-QG G 1.18 ambi=2 { CG:25.6 } atom: 867 79E-H N 8.12 ambi=1 { N:122.6 } ::sumAvg: 4.59 atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } atom: 840 77K-QG G 1.18 ambi=2 { CG:25.6 } ::sumAvg: 4.27 atom: 840 77K-QG G 1.18 ambi=2 { CG:25.6 } atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } ::sumAvg: 3.975 atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } atom: 840 77K-QG G 1.18 ambi=2 { CG:25.6 } ::sumAvg: 3.975 atom: 845 77K-HE3 E 2.37 ambi=2 { CE:41.3 } atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } ::sumAvg: 4.195 atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } atom: 845 77K-HE3 E 2.37 ambi=2 { CE:41.3 } ::sumAvg: 4.195 atom: 858 78Y-QE E 6.77 ambi=3 { CE1:117.5 } atom: 852 78Y-H N 9.53 ambi=1 { N:129.3 } ::sumAvg: 4.73 atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } atom: 852 78Y-H N 9.53 ambi=1 { N:129.3 } ::sumAvg: 4.9 atom: 853 78Y-HA A 4.52 ambi=1 { CA:57.5 } atom: 858 78Y-QE E 6.77 ambi=3 { CE1:117.5 } ::sumAvg: 4.935 atom: 853 78Y-HA A 4.52 ambi=1 { CA:57.5 } atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } ::sumAvg: 4.36 atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } atom: 853 78Y-HA A 4.52 ambi=1 { CA:57.5 } ::sumAvg: 4.36 atom: 853 78Y-HA A 4.52 ambi=1 { CA:57.5 } atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } ::sumAvg: 4.08 atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } atom: 853 78Y-HA A 4.52 ambi=1 { CA:57.5 } ::sumAvg: 4.08 atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } atom: 853 78Y-HA A 4.52 ambi=1 { CA:57.5 } ::sumAvg: 4.535 atom: 853 78Y-HA A 4.52 ambi=1 { CA:57.5 } atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } ::sumAvg: 4.79 atom: 854 78Y-HB2 B 2.88 ambi=2 { CB:39.5 } atom: 858 78Y-QE E 6.77 ambi=3 { CE1:117.5 } :: atom: 855 78Y-HB3 B 3.29 ambi=2 { CB:39.5 } atom: 858 78Y-QE E 6.77 ambi=3 { CE1:117.5 } ::sumAvg: 4.44 atom: 854 78Y-HB2 B 2.88 ambi=2 { CB:39.5 } atom: 867 79E-H N 8.12 ambi=1 { N:122.6 } :: atom: 855 78Y-HB3 B 3.29 ambi=2 { CB:39.5 } atom: 867 79E-H N 8.12 ambi=1 { N:122.6 } ::sumAvg: 3.02 atom: 854 78Y-HB2 B 2.88 ambi=2 { CB:39.5 } atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } :: atom: 855 78Y-HB3 B 3.29 ambi=2 { CB:39.5 } atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } ::sumAvg: 4.545 atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } atom: 854 78Y-HB2 B 2.88 ambi=2 { CB:39.5 } :: atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } atom: 855 78Y-HB3 B 3.29 ambi=2 { CB:39.5 } ::sumAvg: 4.78 atom: 854 78Y-HB2 B 2.88 ambi=2 { CB:39.5 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } :: atom: 855 78Y-HB3 B 3.29 ambi=2 { CB:39.5 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } ::sumAvg: 4.04 atom: 854 78Y-HB2 B 2.88 ambi=2 { CB:39.5 } atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } :: atom: 855 78Y-HB3 B 3.29 ambi=2 { CB:39.5 } atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } ::sumAvg: 4.525 atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } atom: 854 78Y-HB2 B 2.88 ambi=2 { CB:39.5 } :: atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } atom: 855 78Y-HB3 B 3.29 ambi=2 { CB:39.5 } ::sumAvg: 4.525 atom: 854 78Y-HB2 B 2.88 ambi=2 { CB:39.5 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } :: atom: 855 78Y-HB3 B 3.29 ambi=2 { CB:39.5 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } ::sumAvg: 4.23 atom: 854 78Y-HB2 B 2.88 ambi=2 { CB:39.5 } atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } :: atom: 855 78Y-HB3 B 3.29 ambi=2 { CB:39.5 } atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } ::sumAvg: 3.195 atom: 854 78Y-HB2 B 2.88 ambi=2 { CB:39.5 } atom: 1725 159I-HD1 D1 0.85 ambi=1 { CD1:14.6 } :: atom: 855 78Y-HB3 B 3.29 ambi=2 { CB:39.5 } atom: 1725 159I-HD1 D1 0.85 ambi=1 { CD1:14.6 } ::sumAvg: 4.06 atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } atom: 867 79E-H N 8.12 ambi=1 { N:122.6 } ::sumAvg: 3.99 atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } ::sumAvg: 4.84 atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } ::sumAvg: 4.84 atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } ::sumAvg: 4.385 atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } ::sumAvg: 4.385 atom: 1665 154I-HG12 G1 0.32 ambi=2 { CG1:29.2 } atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } :: atom: 1666 154I-HG13 G1 1.33 ambi=2 { CG1:29.2 } atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } ::sumAvg: 4.29 atom: 1721 159I-HB B 1.86 ambi=1 { CB:40.7 } atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } ::sumAvg: 4.32 atom: 1722 159I-HG12 G1 0.81 ambi=2 { CG1:25.3 } atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } :: atom: 1723 159I-HG13 G1 1.3 ambi=2 { CG1:25.3 } atom: 856 78Y-QD D 7.33 ambi=3 { CD1:132.9 } ::sumAvg: 4.795 atom: 858 78Y-QE E 6.77 ambi=3 { CE1:117.5 } atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } ::sumAvg: 4.21 atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } atom: 858 78Y-QE E 6.77 ambi=3 { CE1:117.5 } ::sumAvg: 4.21 atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } atom: 858 78Y-QE E 6.77 ambi=3 { CE1:117.5 } ::sumAvg: 3.64 atom: 858 78Y-QE E 6.77 ambi=3 { CE1:117.5 } atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } ::sumAvg: 4.71 atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } atom: 858 78Y-QE E 6.77 ambi=3 { CE1:117.5 } ::sumAvg: 4.71 atom: 1665 154I-HG12 G1 0.32 ambi=2 { CG1:29.2 } atom: 858 78Y-QE E 6.77 ambi=3 { CE1:117.5 } :: atom: 1666 154I-HG13 G1 1.33 ambi=2 { CG1:29.2 } atom: 858 78Y-QE E 6.77 ambi=3 { CE1:117.5 } ::sumAvg: 3.3 atom: 1721 159I-HB B 1.86 ambi=1 { CB:40.7 } atom: 858 78Y-QE E 6.77 ambi=3 { CE1:117.5 } ::sumAvg: 3.965 atom: 1725 159I-HD1 D1 0.85 ambi=1 { CD1:14.6 } atom: 858 78Y-QE E 6.77 ambi=3 { CE1:117.5 } ::sumAvg: 4.445 atom: 878 80F-HA A 5.09 ambi=1 { CA:56 } atom: 867 79E-H N 8.12 ambi=1 { N:122.6 } ::sumAvg: 4.94 atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } atom: 867 79E-H N 8.12 ambi=1 { N:122.6 } ::sumAvg: 4.93 atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } atom: 867 79E-H N 8.12 ambi=1 { N:122.6 } ::sumAvg: 4.985 atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } atom: 879 80F-HB2 B 2.71 ambi=2 { CB:42.6 } :: atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } atom: 880 80F-HB3 B 3.07 ambi=2 { CB:42.6 } ::sumAvg: 4.575 atom: 879 80F-HB2 B 2.71 ambi=2 { CB:42.6 } atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } :: atom: 880 80F-HB3 B 3.07 ambi=2 { CB:42.6 } atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } ::sumAvg: 4.575 atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } ::sumAvg: 3.595 atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } ::sumAvg: 3.595 atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } ::sumAvg: 4.44 atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } atom: 868 79E-HA A 5.28 ambi=1 { CA:54.3 } ::sumAvg: 4.44 atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } atom: 878 80F-HA A 5.09 ambi=1 { CA:56 } ::sumAvg: 4.245 atom: 878 80F-HA A 5.09 ambi=1 { CA:56 } atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } ::sumAvg: 4.245 atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } ::sumAvg: 4.91 atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } atom: 869 79E-QB B 1.9 ambi=2 { CB:34.7 } ::sumAvg: 4.91 atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } atom: 878 80F-HA A 5.09 ambi=1 { CA:56 } ::sumAvg: 4.7 atom: 878 80F-HA A 5.09 ambi=1 { CA:56 } atom: 871 79E-QG G 2 ambi=2 { CG:37.4 } ::sumAvg: 4.7 atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } ::sumAvg: 4.89 atom: 895 81D-HA A 5.42 ambi=1 { CA:54.7 } atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } ::sumAvg: 4.835 atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } atom: 877 80F-H N 9.09 ambi=1 { N:121.3 } ::sumAvg: 4.55 atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } atom: 878 80F-HA A 5.09 ambi=1 { CA:56 } ::sumAvg: 4.67 atom: 896 81D-HB2 B 2.72 ambi=2 { CB:41.3 } atom: 878 80F-HA A 5.09 ambi=1 { CA:56 } :: atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } atom: 878 80F-HA A 5.09 ambi=1 { CA:56 } ::sumAvg: 4.605 atom: 878 80F-HA A 5.09 ambi=1 { CA:56 } atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } ::sumAvg: 4.545 atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } atom: 878 80F-HA A 5.09 ambi=1 { CA:56 } ::sumAvg: 4.545 atom: 878 80F-HA A 5.09 ambi=1 { CA:56 } atom: 1104 101E-HB2 B 2.17 ambi=1 { CB:30.2 } :: atom: 878 80F-HA A 5.09 ambi=1 { CA:56 } atom: 1105 101E-HB3 B 2.39 ambi=1 { CB:30.2 } ::sumAvg: 3.505 atom: 1104 101E-HB2 B 2.17 ambi=1 { CB:30.2 } atom: 878 80F-HA A 5.09 ambi=1 { CA:56 } :: atom: 1105 101E-HB3 B 2.39 ambi=1 { CB:30.2 } atom: 878 80F-HA A 5.09 ambi=1 { CA:56 } ::sumAvg: 3.505 atom: 878 80F-HA A 5.09 ambi=1 { CA:56 } atom: 1106 101E-QG G 2.43 ambi=2 { CG:36.8 } ::sumAvg: 3.335 atom: 1106 101E-QG G 2.43 ambi=2 { CG:36.8 } atom: 878 80F-HA A 5.09 ambi=1 { CA:56 } ::sumAvg: 3.335 atom: 879 80F-HB2 B 2.71 ambi=2 { CB:42.6 } atom: 895 81D-HA A 5.42 ambi=1 { CA:54.7 } :: atom: 880 80F-HB3 B 3.07 ambi=2 { CB:42.6 } atom: 895 81D-HA A 5.42 ambi=1 { CA:54.7 } ::sumAvg: 4.86 atom: 879 80F-HB2 B 2.71 ambi=2 { CB:42.6 } atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } :: atom: 880 80F-HB3 B 3.07 ambi=2 { CB:42.6 } atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } ::sumAvg: 4.995 atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } atom: 879 80F-HB2 B 2.71 ambi=2 { CB:42.6 } :: atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } atom: 880 80F-HB3 B 3.07 ambi=2 { CB:42.6 } ::sumAvg: 4.995 atom: 879 80F-HB2 B 2.71 ambi=2 { CB:42.6 } atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } :: atom: 880 80F-HB3 B 3.07 ambi=2 { CB:42.6 } atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } ::sumAvg: 4.72 atom: 879 80F-HB2 B 2.71 ambi=2 { CB:42.6 } atom: 1104 101E-HB2 B 2.17 ambi=1 { CB:30.2 } :: atom: 880 80F-HB3 B 3.07 ambi=2 { CB:42.6 } atom: 1104 101E-HB2 B 2.17 ambi=1 { CB:30.2 } :: atom: 880 80F-HB3 B 3.07 ambi=2 { CB:42.6 } atom: 1105 101E-HB3 B 2.39 ambi=1 { CB:30.2 } ::sumAvg: 3.185 atom: 1104 101E-HB2 B 2.17 ambi=1 { CB:30.2 } atom: 879 80F-HB2 B 2.71 ambi=2 { CB:42.6 } :: atom: 1104 101E-HB2 B 2.17 ambi=1 { CB:30.2 } atom: 880 80F-HB3 B 3.07 ambi=2 { CB:42.6 } :: atom: 1105 101E-HB3 B 2.39 ambi=1 { CB:30.2 } atom: 880 80F-HB3 B 3.07 ambi=2 { CB:42.6 } ::sumAvg: 3.185 atom: 880 80F-HB3 B 3.07 ambi=2 { CB:42.6 } atom: 1106 101E-QG G 2.43 ambi=2 { CG:36.8 } ::sumAvg: 4.16 atom: 1106 101E-QG G 2.43 ambi=2 { CG:36.8 } atom: 880 80F-HB3 B 3.07 ambi=2 { CB:42.6 } ::sumAvg: 4.16 atom: 879 80F-HB2 B 2.71 ambi=2 { CB:42.6 } atom: 1112 102L-H N 7.93 ambi=1 { N:116.5 } :: atom: 880 80F-HB3 B 3.07 ambi=2 { CB:42.6 } atom: 1112 102L-H N 7.93 ambi=1 { N:116.5 } ::sumAvg: 4.79 atom: 1116 102L-HG G 1.35 ambi=1 { CG:26.9 } atom: 879 80F-HB2 B 2.71 ambi=2 { CB:42.6 } :: atom: 1116 102L-HG G 1.35 ambi=1 { CG:26.9 } atom: 880 80F-HB3 B 3.07 ambi=2 { CB:42.6 } ::sumAvg: 3.795 atom: 1117 102L-HD1 D1 0.5 ambi=2 { CD1:25.1 } atom: 879 80F-HB2 B 2.71 ambi=2 { CB:42.6 } :: atom: 1118 102L-HD2 D2 0.68 ambi=2 { CD2:22.5 } atom: 879 80F-HB2 B 2.71 ambi=2 { CB:42.6 } :: atom: 1117 102L-HD1 D1 0.5 ambi=2 { CD1:25.1 } atom: 880 80F-HB3 B 3.07 ambi=2 { CB:42.6 } :: atom: 1118 102L-HD2 D2 0.68 ambi=2 { CD2:22.5 } atom: 880 80F-HB3 B 3.07 ambi=2 { CB:42.6 } ::sumAvg: 4.1 atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } ::sumAvg: 4.955 atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } atom: 1112 102L-H N 7.93 ambi=1 { N:116.5 } ::sumAvg: 4.41 atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } ::sumAvg: 4.355 atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } ::sumAvg: 4.355 atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } ::sumAvg: 4.825 atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } ::sumAvg: 4.825 atom: 1621 150I-HG12 G1 0.82 ambi=2 { CG1:28.2 } atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } :: atom: 1622 150I-HG13 G1 1.49 ambi=2 { CG1:28.2 } atom: 881 80F-QD D 7.16 ambi=3 { CD1:131.7 } ::sumAvg: 4.695 atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } atom: 1105 101E-HB3 B 2.39 ambi=1 { CB:30.2 } ::sumAvg: 4.615 atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } ::sumAvg: 4.635 atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } ::sumAvg: 4.635 atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } :: atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } ::sumAvg: 4.515 atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } :: atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } ::sumAvg: 4.515 atom: 1621 150I-HG12 G1 0.82 ambi=2 { CG1:28.2 } atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } :: atom: 1622 150I-HG13 G1 1.49 ambi=2 { CG1:28.2 } atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } ::sumAvg: 3.23 atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } ::sumAvg: 4.86 atom: 1722 159I-HG12 G1 0.81 ambi=2 { CG1:25.3 } atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } :: atom: 1723 159I-HG13 G1 1.3 ambi=2 { CG1:25.3 } atom: 883 80F-QE E 7.18 ambi=3 { CE1:129.6 } ::sumAvg: 3.615 atom: 885 80F-HZ Z 7.05 ambi=1 { CZ:128.3 } atom: 1619 150I-HA A 3.54 ambi=1 { CA:63.4 } ::sumAvg: 4.9 atom: 1619 150I-HA A 3.54 ambi=1 { CA:63.4 } atom: 885 80F-HZ Z 7.05 ambi=1 { CZ:128.3 } ::sumAvg: 4.9 atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } atom: 885 80F-HZ Z 7.05 ambi=1 { CZ:128.3 } :: atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } atom: 885 80F-HZ Z 7.05 ambi=1 { CZ:128.3 } ::sumAvg: 4.495 atom: 885 80F-HZ Z 7.05 ambi=1 { CZ:128.3 } atom: 1665 154I-HG12 G1 0.32 ambi=2 { CG1:29.2 } :: atom: 885 80F-HZ Z 7.05 ambi=1 { CZ:128.3 } atom: 1666 154I-HG13 G1 1.33 ambi=2 { CG1:29.2 } ::sumAvg: 4.98 atom: 885 80F-HZ Z 7.05 ambi=1 { CZ:128.3 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } ::sumAvg: 4.495 atom: 1722 159I-HG12 G1 0.81 ambi=2 { CG1:25.3 } atom: 885 80F-HZ Z 7.05 ambi=1 { CZ:128.3 } :: atom: 1723 159I-HG13 G1 1.3 ambi=2 { CG1:25.3 } atom: 885 80F-HZ Z 7.05 ambi=1 { CZ:128.3 } ::sumAvg: 4.36 atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } atom: 894 81D-H N 8.46 ambi=1 { N:122.9 } :: atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } atom: 894 81D-H N 8.46 ambi=1 { N:122.9 } ::sumAvg: 4.22 atom: 1096 100P-HD2 D 3.48 ambi=2 { CD:49.8 } atom: 894 81D-H N 8.46 ambi=1 { N:122.9 } :: atom: 1097 100P-HD3 D 3.77 ambi=2 { CD:49.8 } atom: 894 81D-H N 8.46 ambi=1 { N:122.9 } ::sumAvg: 4.985 atom: 1103 101E-HA A 4.3 ambi=1 { CA:58.3 } atom: 894 81D-H N 8.46 ambi=1 { N:122.9 } ::sumAvg: 4.88 atom: 1104 101E-HB2 B 2.17 ambi=1 { CB:30.2 } atom: 894 81D-H N 8.46 ambi=1 { N:122.9 } :: atom: 1105 101E-HB3 B 2.39 ambi=1 { CB:30.2 } atom: 894 81D-H N 8.46 ambi=1 { N:122.9 } ::sumAvg: 2.925 atom: 896 81D-HB2 B 2.72 ambi=2 { CB:41.3 } atom: 902 82I-HA A 5.66 ambi=1 { CA:58.5 } :: atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } atom: 902 82I-HA A 5.66 ambi=1 { CA:58.5 } ::sumAvg: 4.515 atom: 902 82I-HA A 5.66 ambi=1 { CA:58.5 } atom: 896 81D-HB2 B 2.72 ambi=2 { CB:41.3 } :: atom: 902 82I-HA A 5.66 ambi=1 { CA:58.5 } atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } ::sumAvg: 4.515 atom: 896 81D-HB2 B 2.72 ambi=2 { CB:41.3 } atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } :: atom: 896 81D-HB2 B 2.72 ambi=2 { CB:41.3 } atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } :: atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } :: atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } ::sumAvg: 4.9 atom: 1094 100P-HG2 G 1.88 ambi=2 { CG:27.1 } atom: 896 81D-HB2 B 2.72 ambi=2 { CB:41.3 } :: atom: 1095 100P-HG3 G 2.12 ambi=2 { CG:27.1 } atom: 896 81D-HB2 B 2.72 ambi=2 { CB:41.3 } :: atom: 1094 100P-HG2 G 1.88 ambi=2 { CG:27.1 } atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } :: atom: 1095 100P-HG3 G 2.12 ambi=2 { CG:27.1 } atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } ::sumAvg: 4.215 atom: 896 81D-HB2 B 2.72 ambi=2 { CB:41.3 } atom: 1096 100P-HD2 D 3.48 ambi=2 { CD:49.8 } :: atom: 896 81D-HB2 B 2.72 ambi=2 { CB:41.3 } atom: 1097 100P-HD3 D 3.77 ambi=2 { CD:49.8 } :: atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } atom: 1096 100P-HD2 D 3.48 ambi=2 { CD:49.8 } :: atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } atom: 1097 100P-HD3 D 3.77 ambi=2 { CD:49.8 } ::sumAvg: 3.97 atom: 1096 100P-HD2 D 3.48 ambi=2 { CD:49.8 } atom: 896 81D-HB2 B 2.72 ambi=2 { CB:41.3 } :: atom: 1097 100P-HD3 D 3.77 ambi=2 { CD:49.8 } atom: 896 81D-HB2 B 2.72 ambi=2 { CB:41.3 } :: atom: 1096 100P-HD2 D 3.48 ambi=2 { CD:49.8 } atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } :: atom: 1097 100P-HD3 D 3.77 ambi=2 { CD:49.8 } atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } ::sumAvg: 3.97 atom: 896 81D-HB2 B 2.72 ambi=2 { CB:41.3 } atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } :: atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } ::sumAvg: 4.125 atom: 896 81D-HB2 B 2.72 ambi=2 { CB:41.3 } atom: 1103 101E-HA A 4.3 ambi=1 { CA:58.3 } :: atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } atom: 1103 101E-HA A 4.3 ambi=1 { CA:58.3 } ::sumAvg: 4.99 atom: 896 81D-HB2 B 2.72 ambi=2 { CB:41.3 } atom: 1104 101E-HB2 B 2.17 ambi=1 { CB:30.2 } :: atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } atom: 1104 101E-HB2 B 2.17 ambi=1 { CB:30.2 } ::sumAvg: 3.935 atom: 1104 101E-HB2 B 2.17 ambi=1 { CB:30.2 } atom: 896 81D-HB2 B 2.72 ambi=2 { CB:41.3 } :: atom: 1104 101E-HB2 B 2.17 ambi=1 { CB:30.2 } atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } ::sumAvg: 3.935 atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } atom: 1106 101E-QG G 2.43 ambi=2 { CG:36.8 } ::sumAvg: 3.675 atom: 1106 101E-QG G 2.43 ambi=2 { CG:36.8 } atom: 897 81D-HB3 B 2.91 ambi=2 { CB:41.3 } ::sumAvg: 3.675 atom: 1096 100P-HD2 D 3.48 ambi=2 { CD:49.8 } atom: 901 82I-H N 8.46 ambi=1 { N:113.7 } :: atom: 1097 100P-HD3 D 3.77 ambi=2 { CD:49.8 } atom: 901 82I-H N 8.46 ambi=1 { N:113.7 } ::sumAvg: 4.89 atom: 918 83E-QG G 2.13 ambi=2 { CG:35.4 } atom: 902 82I-HA A 5.66 ambi=1 { CA:58.5 } ::sumAvg: 3.735 atom: 902 82I-HA A 5.66 ambi=1 { CA:58.5 } atom: 1077 98A-HB B 1.34 ambi=1 { CB:21.6 } ::sumAvg: 4.595 atom: 1077 98A-HB B 1.34 ambi=1 { CB:21.6 } atom: 902 82I-HA A 5.66 ambi=1 { CA:58.5 } ::sumAvg: 4.595 atom: 902 82I-HA A 5.66 ambi=1 { CA:58.5 } atom: 1081 99V-H N 8.02 ambi=1 { N:119.5 } ::sumAvg: 4.38 atom: 902 82I-HA A 5.66 ambi=1 { CA:58.5 } atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } ::sumAvg: 4.73 atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } atom: 902 82I-HA A 5.66 ambi=1 { CA:58.5 } ::sumAvg: 4.73 atom: 1094 100P-HG2 G 1.88 ambi=2 { CG:27.1 } atom: 902 82I-HA A 5.66 ambi=1 { CA:58.5 } :: atom: 1095 100P-HG3 G 2.12 ambi=2 { CG:27.1 } atom: 902 82I-HA A 5.66 ambi=1 { CA:58.5 } ::sumAvg: 4.91 atom: 902 82I-HA A 5.66 ambi=1 { CA:58.5 } atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } ::sumAvg: 4.8 atom: 903 82I-HB B 1.75 ambi=1 { CB:42.8 } atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } ::sumAvg: 4.16 atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } atom: 903 82I-HB B 1.75 ambi=1 { CB:42.8 } ::sumAvg: 4.16 atom: 903 82I-HB B 1.75 ambi=1 { CB:42.8 } atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } ::sumAvg: 4.32 atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } atom: 903 82I-HB B 1.75 ambi=1 { CB:42.8 } ::sumAvg: 4.32 atom: 903 82I-HB B 1.75 ambi=1 { CB:42.8 } atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } ::sumAvg: 4.9 atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } atom: 903 82I-HB B 1.75 ambi=1 { CB:42.8 } ::sumAvg: 4.9 atom: 903 82I-HB B 1.75 ambi=1 { CB:42.8 } atom: 1081 99V-H N 8.02 ambi=1 { N:119.5 } ::sumAvg: 4.95 atom: 903 82I-HB B 1.75 ambi=1 { CB:42.8 } atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } ::sumAvg: 4.08 atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } atom: 903 82I-HB B 1.75 ambi=1 { CB:42.8 } ::sumAvg: 4.08 atom: 904 82I-HG12 G1 0.84 ambi=2 { CG1:25.7 } atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } :: atom: 905 82I-HG13 G1 1.29 ambi=2 { CG1:25.7 } atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } ::sumAvg: 3.86 atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } atom: 904 82I-HG12 G1 0.84 ambi=2 { CG1:25.7 } :: atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } atom: 905 82I-HG13 G1 1.29 ambi=2 { CG1:25.7 } ::sumAvg: 3.86 atom: 904 82I-HG12 G1 0.84 ambi=2 { CG1:25.7 } atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } :: atom: 905 82I-HG13 G1 1.29 ambi=2 { CG1:25.7 } atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } ::sumAvg: 4.63 atom: 904 82I-HG12 G1 0.84 ambi=2 { CG1:25.7 } atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } :: atom: 905 82I-HG13 G1 1.29 ambi=2 { CG1:25.7 } atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } ::sumAvg: 4.165 atom: 905 82I-HG13 G1 1.29 ambi=2 { CG1:25.7 } atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } ::sumAvg: 4.965 atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } atom: 1081 99V-H N 8.02 ambi=1 { N:119.5 } ::sumAvg: 4.475 atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } ::sumAvg: 3.235 atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } ::sumAvg: 3.235 atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } atom: 1096 100P-HD2 D 3.48 ambi=2 { CD:49.8 } :: atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } atom: 1097 100P-HD3 D 3.77 ambi=2 { CD:49.8 } ::sumAvg: 3.925 atom: 1096 100P-HD2 D 3.48 ambi=2 { CD:49.8 } atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } :: atom: 1097 100P-HD3 D 3.77 ambi=2 { CD:49.8 } atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } ::sumAvg: 3.925 atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } ::sumAvg: 4.835 atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } atom: 1104 101E-HB2 B 2.17 ambi=1 { CB:30.2 } ::sumAvg: 4.88 atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } atom: 1106 101E-QG G 2.43 ambi=2 { CG:36.8 } ::sumAvg: 4.96 atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } atom: 1117 102L-HD1 D1 0.5 ambi=2 { CD1:25.1 } ::sumAvg: 4.59 atom: 1117 102L-HD1 D1 0.5 ambi=2 { CD1:25.1 } atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } ::sumAvg: 4.59 atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } ::sumAvg: 4.56 atom: 906 82I-HG2 G2 1.02 ambi=1 { CG2:19.5 } atom: 1535 142L-HG G 1.88 ambi=1 { CG:27 } ::sumAvg: 4.655 atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } ::sumAvg: 3.555 atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } atom: 932 84F-HZ Z 6.45 ambi=1 { CZ:127.8 } ::sumAvg: 4.07 atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } ::sumAvg: 4.64 atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } :: atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } ::sumAvg: 4.925 atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } :: atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } atom: 907 82I-HD1 D1 0.71 ambi=1 { CD1:14.6 } ::sumAvg: 4.925 atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } atom: 914 83E-H N 8.61 ambi=1 { N:117.4 } :: atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } atom: 914 83E-H N 8.61 ambi=1 { N:117.4 } ::sumAvg: 4.315 atom: 1096 100P-HD2 D 3.48 ambi=2 { CD:49.8 } atom: 914 83E-H N 8.61 ambi=1 { N:117.4 } :: atom: 1097 100P-HD3 D 3.77 ambi=2 { CD:49.8 } atom: 914 83E-H N 8.61 ambi=1 { N:117.4 } ::sumAvg: 3.305 atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } ::sumAvg: 3.3 atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } ::sumAvg: 3.3 atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } ::sumAvg: 4.52 atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } ::sumAvg: 4.52 atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } atom: 1067 97I-HG2 G2 0.67 ambi=1 { CG2:17.5 } ::sumAvg: 4.77 atom: 1067 97I-HG2 G2 0.67 ambi=1 { CG2:17.5 } atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } ::sumAvg: 4.77 atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } atom: 1077 98A-HB B 1.34 ambi=1 { CB:21.6 } ::sumAvg: 4.95 atom: 1077 98A-HB B 1.34 ambi=1 { CB:21.6 } atom: 915 83E-HA A 5.29 ambi=1 { CA:55.2 } ::sumAvg: 4.95 atom: 916 83E-HB2 B 2.07 ambi=1 { CB:33.5 } atom: 925 84F-HA A 4.95 ambi=1 { CA:57.4 } :: atom: 917 83E-HB3 B 2.38 ambi=1 { CB:33.5 } atom: 925 84F-HA A 4.95 ambi=1 { CA:57.4 } ::sumAvg: 4.335 atom: 916 83E-HB2 B 2.07 ambi=1 { CB:33.5 } atom: 1075 98A-H N 8.88 ambi=1 { N:128.8 } ::sumAvg: 4.875 atom: 918 83E-QG G 2.13 ambi=2 { CG:35.4 } atom: 925 84F-HA A 4.95 ambi=1 { CA:57.4 } ::sumAvg: 4.545 atom: 918 83E-QG G 2.13 ambi=2 { CG:35.4 } atom: 1075 98A-H N 8.88 ambi=1 { N:128.8 } ::sumAvg: 4.65 atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } atom: 918 83E-QG G 2.13 ambi=2 { CG:35.4 } ::sumAvg: 4.935 atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } atom: 924 84F-H N 8.46 ambi=1 { N:112.7 } :: atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } atom: 924 84F-H N 8.46 ambi=1 { N:112.7 } ::sumAvg: 3.405 atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } atom: 924 84F-H N 8.46 ambi=1 { N:112.7 } ::sumAvg: 4.655 atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } atom: 925 84F-HA A 4.95 ambi=1 { CA:57.4 } ::sumAvg: 4.34 atom: 925 84F-HA A 4.95 ambi=1 { CA:57.4 } atom: 944 85D-HB3 B 2.67 ambi=1 { CB:43 } ::sumAvg: 4.89 atom: 944 85D-HB3 B 2.67 ambi=1 { CB:43 } atom: 925 84F-HA A 4.95 ambi=1 { CA:57.4 } ::sumAvg: 4.89 atom: 925 84F-HA A 4.95 ambi=1 { CA:57.4 } atom: 1067 97I-HG2 G2 0.67 ambi=1 { CG2:17.5 } ::sumAvg: 4.685 atom: 1067 97I-HG2 G2 0.67 ambi=1 { CG2:17.5 } atom: 925 84F-HA A 4.95 ambi=1 { CA:57.4 } ::sumAvg: 4.685 atom: 925 84F-HA A 4.95 ambi=1 { CA:57.4 } atom: 1077 98A-HB B 1.34 ambi=1 { CB:21.6 } ::sumAvg: 3.79 atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } :: atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } ::sumAvg: 4.385 atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } :: atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } ::sumAvg: 4.385 atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } ::sumAvg: 4.63 atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } ::sumAvg: 4.63 atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } :: atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } ::sumAvg: 4.115 atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } :: atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } ::sumAvg: 4.115 atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } atom: 1042 95P-HB2 B 0.87 ambi=2 { CB:31.9 } :: atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } atom: 1042 95P-HB2 B 0.87 ambi=2 { CB:31.9 } :: atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } ::sumAvg: 3.675 atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } atom: 1044 95P-HG2 G 1.32 ambi=2 { CG:27.9 } :: atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } atom: 1045 95P-HG3 G 1.47 ambi=2 { CG:27.9 } ::sumAvg: 4.725 atom: 1044 95P-HG2 G 1.32 ambi=2 { CG:27.9 } atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } :: atom: 1045 95P-HG3 G 1.47 ambi=2 { CG:27.9 } atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } ::sumAvg: 4.725 atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } atom: 1065 97I-HG12 G1 0.33 ambi=2 { CG1:27.6 } :: atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } atom: 1066 97I-HG13 G1 1.15 ambi=2 { CG1:27.6 } :: atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } atom: 1065 97I-HG12 G1 0.33 ambi=2 { CG1:27.6 } :: atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } atom: 1066 97I-HG13 G1 1.15 ambi=2 { CG1:27.6 } ::sumAvg: 3.245 atom: 1065 97I-HG12 G1 0.33 ambi=2 { CG1:27.6 } atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } :: atom: 1066 97I-HG13 G1 1.15 ambi=2 { CG1:27.6 } atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } :: atom: 1065 97I-HG12 G1 0.33 ambi=2 { CG1:27.6 } atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } :: atom: 1066 97I-HG13 G1 1.15 ambi=2 { CG1:27.6 } atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } ::sumAvg: 3.245 atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } atom: 1068 97I-HD1 D1 0.43 ambi=1 { CD1:14.7 } ::sumAvg: 4.665 atom: 1068 97I-HD1 D1 0.43 ambi=1 { CD1:14.7 } atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } ::sumAvg: 4.665 atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } atom: 1077 98A-HB B 1.34 ambi=1 { CB:21.6 } ::sumAvg: 4.815 atom: 1077 98A-HB B 1.34 ambi=1 { CB:21.6 } atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } ::sumAvg: 4.815 atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } :: atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } ::sumAvg: 4.53 atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } :: atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } :: atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } :: atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } ::sumAvg: 4.53 atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } :: atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } :: atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } :: atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } ::sumAvg: 4.725 atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } :: atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 926 84F-HB2 B 2.77 ambi=1 { CB:40.4 } :: atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } :: atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 927 84F-HB3 B 3.68 ambi=1 { CB:40.4 } ::sumAvg: 4.725 atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } ::sumAvg: 4.85 atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } ::sumAvg: 4.85 atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } atom: 951 86I-HG12 G1 1.78 ambi=2 { CG1:26.8 } :: atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } atom: 952 86I-HG13 G1 2.13 ambi=2 { CG1:26.8 } ::sumAvg: 4.71 atom: 951 86I-HG12 G1 1.78 ambi=2 { CG1:26.8 } atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } :: atom: 952 86I-HG13 G1 2.13 ambi=2 { CG1:26.8 } atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } ::sumAvg: 4.71 atom: 1044 95P-HG2 G 1.32 ambi=2 { CG:27.9 } atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } :: atom: 1045 95P-HG3 G 1.47 ambi=2 { CG:27.9 } atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } ::sumAvg: 3.73 atom: 1536 142L-HD1 D1 0.87 ambi=2 { CD1:23 } atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } :: atom: 1537 142L-HD2 D2 1.16 ambi=2 { CD2:27.2 } atom: 928 84F-QD D 6.51 ambi=3 { CD1:131.3 } ::sumAvg: 4.705 atom: 1042 95P-HB2 B 0.87 ambi=2 { CB:31.9 } atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } :: atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } ::sumAvg: 4.995 atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } atom: 1044 95P-HG2 G 1.32 ambi=2 { CG:27.9 } :: atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } atom: 1045 95P-HG3 G 1.47 ambi=2 { CG:27.9 } ::sumAvg: 4.15 atom: 1044 95P-HG2 G 1.32 ambi=2 { CG:27.9 } atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } :: atom: 1045 95P-HG3 G 1.47 ambi=2 { CG:27.9 } atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } ::sumAvg: 4.15 atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } atom: 1063 97I-HA A 3.79 ambi=1 { CA:62.8 } ::sumAvg: 4.99 atom: 1063 97I-HA A 3.79 ambi=1 { CA:62.8 } atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } ::sumAvg: 4.99 atom: 1065 97I-HG12 G1 0.33 ambi=2 { CG1:27.6 } atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } :: atom: 1066 97I-HG13 G1 1.15 ambi=2 { CG1:27.6 } atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } ::sumAvg: 3.47 atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } ::sumAvg: 4.21 atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } ::sumAvg: 4.21 atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } ::sumAvg: 4.81 atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } ::sumAvg: 4.81 atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } ::sumAvg: 4.345 atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } atom: 930 84F-QE E 6.63 ambi=3 { CE1:129.9 } ::sumAvg: 4.345 atom: 1067 97I-HG2 G2 0.67 ambi=1 { CG2:17.5 } atom: 932 84F-HZ Z 6.45 ambi=1 { CZ:127.8 } ::sumAvg: 4.935 atom: 932 84F-HZ Z 6.45 ambi=1 { CZ:127.8 } atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } ::sumAvg: 4.115 atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } atom: 932 84F-HZ Z 6.45 ambi=1 { CZ:127.8 } ::sumAvg: 4.115 atom: 932 84F-HZ Z 6.45 ambi=1 { CZ:127.8 } atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } :: atom: 932 84F-HZ Z 6.45 ambi=1 { CZ:127.8 } atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } ::sumAvg: 4.505 atom: 932 84F-HZ Z 6.45 ambi=1 { CZ:127.8 } atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } ::sumAvg: 4.7 atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } atom: 932 84F-HZ Z 6.45 ambi=1 { CZ:127.8 } ::sumAvg: 4.7 atom: 1536 142L-HD1 D1 0.87 ambi=2 { CD1:23 } atom: 932 84F-HZ Z 6.45 ambi=1 { CZ:127.8 } :: atom: 1537 142L-HD2 D2 1.16 ambi=2 { CD2:27.2 } atom: 932 84F-HZ Z 6.45 ambi=1 { CZ:127.8 } ::sumAvg: 4.69 atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } atom: 941 85D-H N 8.57 ambi=1 { N:118.3 } ::sumAvg: 4.365 atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 941 85D-H N 8.57 ambi=1 { N:118.3 } ::sumAvg: 4.23 atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } atom: 949 86I-HA A 4.37 ambi=1 { CA:55.2 } ::sumAvg: 4.395 atom: 949 86I-HA A 4.37 ambi=1 { CA:55.2 } atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } ::sumAvg: 4.395 atom: 950 86I-HB B 2.04 ambi=1 { CB:36.4 } atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } ::sumAvg: 4.615 atom: 951 86I-HG12 G1 1.78 ambi=2 { CG1:26.8 } atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } :: atom: 952 86I-HG13 G1 2.13 ambi=2 { CG1:26.8 } atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } ::sumAvg: 3.395 atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } ::sumAvg: 4.145 atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } ::sumAvg: 4.145 atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } ::sumAvg: 4.58 atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 942 85D-HA A 5.58 ambi=1 { CA:52 } ::sumAvg: 4.58 atom: 943 85D-HB2 B 2.51 ambi=1 { CB:43 } atom: 949 86I-HA A 4.37 ambi=1 { CA:55.2 } ::sumAvg: 4.795 atom: 943 85D-HB2 B 2.51 ambi=1 { CB:43 } atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } :: atom: 944 85D-HB3 B 2.67 ambi=1 { CB:43 } atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } ::sumAvg: 3.875 atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 943 85D-HB2 B 2.51 ambi=1 { CB:43 } :: atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 944 85D-HB3 B 2.67 ambi=1 { CB:43 } ::sumAvg: 3.875 atom: 961 87P-HA A 4.62 ambi=1 { CA:62.1 } atom: 948 86I-H N 8.43 ambi=1 { N:121.6 } ::sumAvg: 4.835 atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 948 86I-H N 8.43 ambi=1 { N:121.6 } ::sumAvg: 3.545 atom: 964 87P-HG2 G 1.84 ambi=2 { CG:27 } atom: 949 86I-HA A 4.37 ambi=1 { CA:55.2 } :: atom: 965 87P-HG3 G 1.91 ambi=2 { CG:27 } atom: 949 86I-HA A 4.37 ambi=1 { CA:55.2 } ::sumAvg: 4.3 atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 949 86I-HA A 4.37 ambi=1 { CA:55.2 } :: atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } atom: 949 86I-HA A 4.37 ambi=1 { CA:55.2 } ::sumAvg: 3.785 atom: 949 86I-HA A 4.37 ambi=1 { CA:55.2 } atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } ::sumAvg: 4.82 atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } atom: 949 86I-HA A 4.37 ambi=1 { CA:55.2 } ::sumAvg: 4.82 atom: 949 86I-HA A 4.37 ambi=1 { CA:55.2 } atom: 1042 95P-HB2 B 0.87 ambi=2 { CB:31.9 } :: atom: 949 86I-HA A 4.37 ambi=1 { CA:55.2 } atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } ::sumAvg: 3.335 atom: 1044 95P-HG2 G 1.32 ambi=2 { CG:27.9 } atom: 949 86I-HA A 4.37 ambi=1 { CA:55.2 } :: atom: 1045 95P-HG3 G 1.47 ambi=2 { CG:27.9 } atom: 949 86I-HA A 4.37 ambi=1 { CA:55.2 } ::sumAvg: 3.665 atom: 949 86I-HA A 4.37 ambi=1 { CA:55.2 } atom: 1046 95P-HD2 D 2.95 ambi=2 { CD:49.2 } :: atom: 949 86I-HA A 4.37 ambi=1 { CA:55.2 } atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } ::sumAvg: 4.705 atom: 1046 95P-HD2 D 2.95 ambi=2 { CD:49.2 } atom: 949 86I-HA A 4.37 ambi=1 { CA:55.2 } :: atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } atom: 949 86I-HA A 4.37 ambi=1 { CA:55.2 } ::sumAvg: 4.705 atom: 950 86I-HB B 2.04 ambi=1 { CB:36.4 } atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } ::sumAvg: 4.395 atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 950 86I-HB B 2.04 ambi=1 { CB:36.4 } ::sumAvg: 4.395 atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 951 86I-HG12 G1 1.78 ambi=2 { CG1:26.8 } :: atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 952 86I-HG13 G1 2.13 ambi=2 { CG1:26.8 } ::sumAvg: 4.56 atom: 951 86I-HG12 G1 1.78 ambi=2 { CG1:26.8 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 951 86I-HG12 G1 1.78 ambi=2 { CG1:26.8 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } :: atom: 952 86I-HG13 G1 2.13 ambi=2 { CG1:26.8 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 952 86I-HG13 G1 2.13 ambi=2 { CG1:26.8 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } ::sumAvg: 4.22 atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } atom: 961 87P-HA A 4.62 ambi=1 { CA:62.1 } ::sumAvg: 4.46 atom: 961 87P-HA A 4.62 ambi=1 { CA:62.1 } atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } ::sumAvg: 4.46 atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } atom: 964 87P-HG2 G 1.84 ambi=2 { CG:27 } :: atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } atom: 965 87P-HG3 G 1.91 ambi=2 { CG:27 } ::sumAvg: 4.935 atom: 973 88I-HA A 3.78 ambi=1 { CA:64.5 } atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } ::sumAvg: 4.325 atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } ::sumAvg: 4.69 atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } ::sumAvg: 4.69 atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } ::sumAvg: 2.875 atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } ::sumAvg: 4.76 atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } atom: 1000 90Y-HE2 E2 7.33 ambi=1 { CE2:116 } ::sumAvg: 3.84 atom: 1000 90Y-HE2 E2 7.33 ambi=1 { CE2:116 } atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } ::sumAvg: 3.84 atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } ::sumAvg: 4.385 atom: 1044 95P-HG2 G 1.32 ambi=2 { CG:27.9 } atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } :: atom: 1045 95P-HG3 G 1.47 ambi=2 { CG:27.9 } atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } ::sumAvg: 4.165 atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } atom: 1046 95P-HD2 D 2.95 ambi=2 { CD:49.2 } :: atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } ::sumAvg: 4.445 atom: 1046 95P-HD2 D 2.95 ambi=2 { CD:49.2 } atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } :: atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } ::sumAvg: 4.445 atom: 953 86I-HG2 G2 0.7 ambi=1 { CG2:16.8 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } ::sumAvg: 4.655 atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } ::sumAvg: 3.24 atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } :: atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } ::sumAvg: 4.17 atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } :: atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } ::sumAvg: 4.17 atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } ::sumAvg: 3.92 atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } ::sumAvg: 4.38 atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } ::sumAvg: 4.38 atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } ::sumAvg: 4 atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } atom: 1000 90Y-HE2 E2 7.33 ambi=1 { CE2:116 } ::sumAvg: 4.47 atom: 1000 90Y-HE2 E2 7.33 ambi=1 { CE2:116 } atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } ::sumAvg: 4.47 atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } atom: 1041 95P-HA A 4.23 ambi=1 { CA:61.6 } ::sumAvg: 4.63 atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } atom: 1046 95P-HD2 D 2.95 ambi=2 { CD:49.2 } :: atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } ::sumAvg: 3.85 atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } atom: 954 86I-HD1 D1 0.45 ambi=1 { CD1:8.7 } ::sumAvg: 4.89 atom: 961 87P-HA A 4.62 ambi=1 { CA:62.1 } atom: 973 88I-HA A 3.78 ambi=1 { CA:64.5 } ::sumAvg: 4.305 atom: 961 87P-HA A 4.62 ambi=1 { CA:62.1 } atom: 977 88I-HG2 G2 0.98 ambi=1 { CG2:18.1 } ::sumAvg: 4.595 atom: 961 87P-HA A 4.62 ambi=1 { CA:62.1 } atom: 993 90Y-H N 7.67 ambi=1 { N:128 } ::sumAvg: 4.74 atom: 962 87P-HB2 B 1.84 ambi=1 { CB:32.4 } atom: 973 88I-HA A 3.78 ambi=1 { CA:64.5 } ::sumAvg: 4.87 atom: 973 88I-HA A 3.78 ambi=1 { CA:64.5 } atom: 962 87P-HB2 B 1.84 ambi=1 { CB:32.4 } ::sumAvg: 4.87 atom: 975 88I-HG12 G1 1.32 ambi=2 { CG1:27.8 } atom: 962 87P-HB2 B 1.84 ambi=1 { CB:32.4 } ::sumAvg: 4.8 atom: 962 87P-HB2 B 1.84 ambi=1 { CB:32.4 } atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } :: atom: 962 87P-HB2 B 1.84 ambi=1 { CB:32.4 } atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } ::sumAvg: 4.06 atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 962 87P-HB2 B 1.84 ambi=1 { CB:32.4 } :: atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } atom: 962 87P-HB2 B 1.84 ambi=1 { CB:32.4 } ::sumAvg: 4.06 atom: 962 87P-HB2 B 1.84 ambi=1 { CB:32.4 } atom: 1029 93T-HB B 3.67 ambi=1 { CB:69.9 } ::sumAvg: 4.225 atom: 964 87P-HG2 G 1.84 ambi=2 { CG:27 } atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } :: atom: 964 87P-HG2 G 1.84 ambi=2 { CG:27 } atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } :: atom: 965 87P-HG3 G 1.91 ambi=2 { CG:27 } atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } :: atom: 965 87P-HG3 G 1.91 ambi=2 { CG:27 } atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } ::sumAvg: 3.77 atom: 964 87P-HG2 G 1.84 ambi=2 { CG:27 } atom: 1029 93T-HB B 3.67 ambi=1 { CB:69.9 } :: atom: 965 87P-HG3 G 1.91 ambi=2 { CG:27 } atom: 1029 93T-HB B 3.67 ambi=1 { CB:69.9 } ::sumAvg: 4.335 atom: 964 87P-HG2 G 1.84 ambi=2 { CG:27 } atom: 1046 95P-HD2 D 2.95 ambi=2 { CD:49.2 } :: atom: 964 87P-HG2 G 1.84 ambi=2 { CG:27 } atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } :: atom: 965 87P-HG3 G 1.91 ambi=2 { CG:27 } atom: 1046 95P-HD2 D 2.95 ambi=2 { CD:49.2 } :: atom: 965 87P-HG3 G 1.91 ambi=2 { CG:27 } atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } ::sumAvg: 4.97 atom: 1046 95P-HD2 D 2.95 ambi=2 { CD:49.2 } atom: 964 87P-HG2 G 1.84 ambi=2 { CG:27 } :: atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } atom: 964 87P-HG2 G 1.84 ambi=2 { CG:27 } :: atom: 1046 95P-HD2 D 2.95 ambi=2 { CD:49.2 } atom: 965 87P-HG3 G 1.91 ambi=2 { CG:27 } :: atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } atom: 965 87P-HG3 G 1.91 ambi=2 { CG:27 } ::sumAvg: 4.97 atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 972 88I-H N 8.69 ambi=1 { N:118.2 } ::sumAvg: 4.98 atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 993 90Y-H N 7.67 ambi=1 { N:128 } ::sumAvg: 4.175 atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } ::sumAvg: 4.895 atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } ::sumAvg: 2.85 atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } ::sumAvg: 2.85 atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } ::sumAvg: 4.035 atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 1041 95P-HA A 4.23 ambi=1 { CA:61.6 } ::sumAvg: 2.855 atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 1042 95P-HB2 B 0.87 ambi=2 { CB:31.9 } :: atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } ::sumAvg: 2.74 atom: 1042 95P-HB2 B 0.87 ambi=2 { CB:31.9 } atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } :: atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } ::sumAvg: 2.74 atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 1044 95P-HG2 G 1.32 ambi=2 { CG:27.9 } :: atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 1045 95P-HG3 G 1.47 ambi=2 { CG:27.9 } ::sumAvg: 3.6 atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 1046 95P-HD2 D 2.95 ambi=2 { CD:49.2 } ::sumAvg: 3.77 atom: 966 87P-QD D 3.51 ambi=2 { CD:50.6 } atom: 1052 96E-H N 8.6 ambi=1 { N:119.5 } ::sumAvg: 3.845 atom: 988 89T-HG2 G2 1.17 ambi=1 { CG2:22 } atom: 972 88I-H N 8.69 ambi=1 { N:118.2 } ::sumAvg: 3.825 atom: 973 88I-HA A 3.78 ambi=1 { CA:64.5 } atom: 986 89T-HA A 4.43 ambi=1 { CA:60.5 } ::sumAvg: 4.74 atom: 986 89T-HA A 4.43 ambi=1 { CA:60.5 } atom: 973 88I-HA A 3.78 ambi=1 { CA:64.5 } ::sumAvg: 4.74 atom: 973 88I-HA A 3.78 ambi=1 { CA:64.5 } atom: 988 89T-HG2 G2 1.17 ambi=1 { CG2:22 } ::sumAvg: 4.815 atom: 973 88I-HA A 3.78 ambi=1 { CA:64.5 } atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } :: atom: 973 88I-HA A 3.78 ambi=1 { CA:64.5 } atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } ::sumAvg: 4.51 atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 973 88I-HA A 3.78 ambi=1 { CA:64.5 } :: atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } atom: 973 88I-HA A 3.78 ambi=1 { CA:64.5 } ::sumAvg: 4.51 atom: 974 88I-HB B 1.9 ambi=1 { CB:37.7 } atom: 986 89T-HA A 4.43 ambi=1 { CA:60.5 } ::sumAvg: 4.535 atom: 986 89T-HA A 4.43 ambi=1 { CA:60.5 } atom: 974 88I-HB B 1.9 ambi=1 { CB:37.7 } ::sumAvg: 4.535 atom: 988 89T-HG2 G2 1.17 ambi=1 { CG2:22 } atom: 974 88I-HB B 1.9 ambi=1 { CB:37.7 } ::sumAvg: 3.895 atom: 975 88I-HG12 G1 1.32 ambi=2 { CG1:27.8 } atom: 986 89T-HA A 4.43 ambi=1 { CA:60.5 } :: atom: 976 88I-HG13 G1 1.48 ambi=2 { CG1:27.8 } atom: 986 89T-HA A 4.43 ambi=1 { CA:60.5 } ::sumAvg: 4.95 atom: 986 89T-HA A 4.43 ambi=1 { CA:60.5 } atom: 975 88I-HG12 G1 1.32 ambi=2 { CG1:27.8 } :: atom: 986 89T-HA A 4.43 ambi=1 { CA:60.5 } atom: 976 88I-HG13 G1 1.48 ambi=2 { CG1:27.8 } ::sumAvg: 4.95 atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 985 89T-H N 7.01 ambi=1 { N:103.6 } :: atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } atom: 985 89T-H N 7.01 ambi=1 { N:103.6 } ::sumAvg: 4.725 atom: 986 89T-HA A 4.43 ambi=1 { CA:60.5 } atom: 1019 92T-H N 8.2 ambi=1 { N:122.2 } ::sumAvg: 4.44 atom: 986 89T-HA A 4.43 ambi=1 { CA:60.5 } atom: 1022 92T-HG2 G2 1.25 ambi=1 { CG2:21.6 } ::sumAvg: 4.845 atom: 986 89T-HA A 4.43 ambi=1 { CA:60.5 } atom: 1027 93T-H N 7.25 ambi=1 { N:114.3 } ::sumAvg: 4.35 atom: 987 89T-HB B 4.67 ambi=1 { CB:67.7 } atom: 1019 92T-H N 8.2 ambi=1 { N:122.2 } ::sumAvg: 4.375 atom: 987 89T-HB B 4.67 ambi=1 { CB:67.7 } atom: 1022 92T-HG2 G2 1.25 ambi=1 { CG2:21.6 } ::sumAvg: 3.625 atom: 1022 92T-HG2 G2 1.25 ambi=1 { CG2:21.6 } atom: 987 89T-HB B 4.67 ambi=1 { CB:67.7 } ::sumAvg: 3.625 atom: 987 89T-HB B 4.67 ambi=1 { CB:67.7 } atom: 1029 93T-HB B 3.67 ambi=1 { CB:69.9 } ::sumAvg: 3.185 atom: 1021 92T-HB B 4.44 ambi=1 { CB:67.9 } atom: 988 89T-HG2 G2 1.17 ambi=1 { CG2:22 } ::sumAvg: 4.125 atom: 988 89T-HG2 G2 1.17 ambi=1 { CG2:22 } atom: 1027 93T-H N 7.25 ambi=1 { N:114.3 } ::sumAvg: 4.465 atom: 988 89T-HG2 G2 1.17 ambi=1 { CG2:22 } atom: 1029 93T-HB B 3.67 ambi=1 { CB:69.9 } ::sumAvg: 3.665 atom: 1029 93T-HB B 3.67 ambi=1 { CB:69.9 } atom: 988 89T-HG2 G2 1.17 ambi=1 { CG2:22 } ::sumAvg: 3.665 atom: 1008 91P-HA A 3.55 ambi=1 { CA:62.8 } atom: 993 90Y-H N 7.67 ambi=1 { N:128 } ::sumAvg: 4.695 atom: 1021 92T-HB B 4.44 ambi=1 { CB:67.9 } atom: 993 90Y-H N 7.67 ambi=1 { N:128 } ::sumAvg: 4.965 atom: 1029 93T-HB B 3.67 ambi=1 { CB:69.9 } atom: 993 90Y-H N 7.67 ambi=1 { N:128 } ::sumAvg: 4.385 atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } :: atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } ::sumAvg: 2.4 atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } ::sumAvg: 4.28 atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } ::sumAvg: 4.965 atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } ::sumAvg: 4.965 atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } :: atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } ::sumAvg: 4.235 atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } :: atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } ::sumAvg: 4.235 atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } :: atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } ::sumAvg: 4.53 atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } atom: 1020 92T-HA A 4.12 ambi=1 { CA:67.1 } ::sumAvg: 4.945 atom: 1020 92T-HA A 4.12 ambi=1 { CA:67.1 } atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } ::sumAvg: 4.945 atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } atom: 1028 93T-HA A 4.28 ambi=1 { CA:59.6 } ::sumAvg: 4.965 atom: 1028 93T-HA A 4.28 ambi=1 { CA:59.6 } atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } ::sumAvg: 4.965 atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } atom: 1029 93T-HB B 3.67 ambi=1 { CB:69.9 } ::sumAvg: 4.485 atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } atom: 1036 94A-HA A 3.87 ambi=1 { CA:49.7 } ::sumAvg: 4 atom: 1036 94A-HA A 3.87 ambi=1 { CA:49.7 } atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } ::sumAvg: 4 atom: 1046 95P-HD2 D 2.95 ambi=2 { CD:49.2 } atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } :: atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } ::sumAvg: 4.525 atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } atom: 1352 125W-HE1 E1 9.6 ambi=1 { NE1:130.6 } ::sumAvg: 4.615 atom: 1354 125W-HZ2 Z2 7.26 ambi=1 { CZ2:113.9 } atom: 994 90Y-HA A 4.69 ambi=1 { CA:58.3 } ::sumAvg: 4.585 atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } :: atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } ::sumAvg: 2.38 atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } :: atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } ::sumAvg: 4.73 atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } :: atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } ::sumAvg: 4.73 atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 1000 90Y-HE2 E2 7.33 ambi=1 { CE2:116 } :: atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } atom: 1000 90Y-HE2 E2 7.33 ambi=1 { CE2:116 } ::sumAvg: 4.665 atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 1008 91P-HA A 3.55 ambi=1 { CA:62.8 } ::sumAvg: 3.625 atom: 1008 91P-HA A 3.55 ambi=1 { CA:62.8 } atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } ::sumAvg: 3.625 atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } :: atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } :: atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } ::sumAvg: 4.835 atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } :: atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } :: atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } ::sumAvg: 4.835 atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 1019 92T-H N 8.2 ambi=1 { N:122.2 } :: atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } atom: 1019 92T-H N 8.2 ambi=1 { N:122.2 } ::sumAvg: 4.995 atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 1027 93T-H N 7.25 ambi=1 { N:114.3 } :: atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } atom: 1027 93T-H N 7.25 ambi=1 { N:114.3 } ::sumAvg: 4.71 atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 1036 94A-HA A 3.87 ambi=1 { CA:49.7 } :: atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } atom: 1036 94A-HA A 3.87 ambi=1 { CA:49.7 } ::sumAvg: 4.105 atom: 1036 94A-HA A 3.87 ambi=1 { CA:49.7 } atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } :: atom: 1036 94A-HA A 3.87 ambi=1 { CA:49.7 } atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } ::sumAvg: 4.105 atom: 1044 95P-HG2 G 1.32 ambi=2 { CG:27.9 } atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } :: atom: 1045 95P-HG3 G 1.47 ambi=2 { CG:27.9 } atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } :: atom: 1044 95P-HG2 G 1.32 ambi=2 { CG:27.9 } atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } :: atom: 1045 95P-HG3 G 1.47 ambi=2 { CG:27.9 } atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } ::sumAvg: 4.86 atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } :: atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } ::sumAvg: 3.365 atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } atom: 995 90Y-HB2 B 2.76 ambi=2 { CB:42 } :: atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } atom: 996 90Y-HB3 B 3.27 ambi=2 { CB:42 } ::sumAvg: 3.365 atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } ::sumAvg: 4.255 atom: 1000 90Y-HE2 E2 7.33 ambi=1 { CE2:116 } atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } ::sumAvg: 4.92 atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } :: atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } ::sumAvg: 4.215 atom: 1036 94A-HA A 3.87 ambi=1 { CA:49.7 } atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } ::sumAvg: 2.62 atom: 1037 94A-HB B 0.01 ambi=1 { CB:15.4 } atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } ::sumAvg: 3.825 atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } atom: 1042 95P-HB2 B 0.87 ambi=2 { CB:31.9 } :: atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } ::sumAvg: 4.505 atom: 1042 95P-HB2 B 0.87 ambi=2 { CB:31.9 } atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } :: atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } ::sumAvg: 4.505 atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } atom: 1352 125W-HE1 E1 9.6 ambi=1 { NE1:130.6 } ::sumAvg: 4.995 atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } atom: 1356 125W-HH2 H2 7.06 ambi=1 { CH2:123.1 } ::sumAvg: 4.82 atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } ::sumAvg: 4.6 atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } :: atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 997 90Y-HD1 D1 7.86 ambi=1 { CD1:132.8 } ::sumAvg: 4.305 atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } ::sumAvg: 4.92 atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } atom: 1008 91P-HA A 3.55 ambi=1 { CA:62.8 } ::sumAvg: 4.155 atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } :: atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } ::sumAvg: 4.235 atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } :: atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } ::sumAvg: 4.235 atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } :: atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } ::sumAvg: 3.95 atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } :: atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } atom: 998 90Y-HD2 D2 7.38 ambi=1 { CD2:133.8 } ::sumAvg: 3.95 atom: 1000 90Y-HE2 E2 7.33 ambi=1 { CE2:116 } atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } ::sumAvg: 4.27 atom: 1008 91P-HA A 3.55 ambi=1 { CA:62.8 } atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } ::sumAvg: 3.795 atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } :: atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } ::sumAvg: 3.975 atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } atom: 1454 134L-H N 10.28 ambi=1 { N:125 } ::sumAvg: 4.75 atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } atom: 1455 134L-HA A 3.92 ambi=1 { CA:57.5 } ::sumAvg: 3.64 atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } atom: 1456 134L-HB2 B 0.74 ambi=1 { CB:40.4 } ::sumAvg: 3.995 atom: 1456 134L-HB2 B 0.74 ambi=1 { CB:40.4 } atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } ::sumAvg: 3.995 atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } :: atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } atom: 999 90Y-HE1 E1 6.93 ambi=1 { CE1:118.2 } ::sumAvg: 4.575 atom: 1000 90Y-HE2 E2 7.33 ambi=1 { CE2:116 } atom: 1008 91P-HA A 3.55 ambi=1 { CA:62.8 } ::sumAvg: 4.94 atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } atom: 1000 90Y-HE2 E2 7.33 ambi=1 { CE2:116 } :: atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } atom: 1000 90Y-HE2 E2 7.33 ambi=1 { CE2:116 } ::sumAvg: 3.97 atom: 1000 90Y-HE2 E2 7.33 ambi=1 { CE2:116 } atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } :: atom: 1000 90Y-HE2 E2 7.33 ambi=1 { CE2:116 } atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } ::sumAvg: 4.65 atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } atom: 1000 90Y-HE2 E2 7.33 ambi=1 { CE2:116 } :: atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } atom: 1000 90Y-HE2 E2 7.33 ambi=1 { CE2:116 } ::sumAvg: 4.65 atom: 1008 91P-HA A 3.55 ambi=1 { CA:62.8 } atom: 1020 92T-HA A 4.12 ambi=1 { CA:67.1 } ::sumAvg: 4.815 atom: 1020 92T-HA A 4.12 ambi=1 { CA:67.1 } atom: 1008 91P-HA A 3.55 ambi=1 { CA:62.8 } ::sumAvg: 4.815 atom: 1008 91P-HA A 3.55 ambi=1 { CA:62.8 } atom: 1037 94A-HB B 0.01 ambi=1 { CB:15.4 } ::sumAvg: 4.85 atom: 1008 91P-HA A 3.55 ambi=1 { CA:62.8 } atom: 1046 95P-HD2 D 2.95 ambi=2 { CD:49.2 } ::sumAvg: 4.575 atom: 1008 91P-HA A 3.55 ambi=1 { CA:62.8 } atom: 1352 125W-HE1 E1 9.6 ambi=1 { NE1:130.6 } ::sumAvg: 3.74 atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } atom: 1019 92T-H N 8.2 ambi=1 { N:122.2 } :: atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } atom: 1019 92T-H N 8.2 ambi=1 { N:122.2 } ::sumAvg: 4.125 atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } atom: 1020 92T-HA A 4.12 ambi=1 { CA:67.1 } :: atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } atom: 1020 92T-HA A 4.12 ambi=1 { CA:67.1 } ::sumAvg: 4.545 atom: 1020 92T-HA A 4.12 ambi=1 { CA:67.1 } atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } :: atom: 1020 92T-HA A 4.12 ambi=1 { CA:67.1 } atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } ::sumAvg: 4.545 atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } atom: 1352 125W-HE1 E1 9.6 ambi=1 { NE1:130.6 } :: atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } atom: 1352 125W-HE1 E1 9.6 ambi=1 { NE1:130.6 } ::sumAvg: 3.435 atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } atom: 1354 125W-HZ2 Z2 7.26 ambi=1 { CZ2:113.9 } :: atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } atom: 1354 125W-HZ2 Z2 7.26 ambi=1 { CZ2:113.9 } ::sumAvg: 3.22 atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } atom: 1398 129V-HG1 G1 0.66 ambi=2 { CG1:20.4 } :: atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } atom: 1398 129V-HG1 G1 0.66 ambi=2 { CG1:20.4 } :: atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } atom: 1399 129V-HG2 G2 1.08 ambi=2 { CG2:22.9 } ::sumAvg: 3.745 atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } :: atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } ::sumAvg: 4.805 atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } atom: 1434 132F-HB2 B 1.98 ambi=1 { CB:36.4 } :: atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } atom: 1435 132F-HB3 B 2.06 ambi=1 { CB:36.4 } ::sumAvg: 3.75 atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } :: atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } ::sumAvg: 4.625 atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } :: atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } ::sumAvg: 4.625 atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } :: atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } :: atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } :: atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } ::sumAvg: 4.605 atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } :: atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } atom: 1009 91P-HB2 B 1.45 ambi=2 { CB:33.2 } :: atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } :: atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } atom: 1010 91P-HB3 B 2.2 ambi=2 { CB:33.2 } ::sumAvg: 4.605 atom: 1020 92T-HA A 4.12 ambi=1 { CA:67.1 } atom: 1011 91P-HG2 G 1.5 ambi=2 { CG:25.1 } :: atom: 1020 92T-HA A 4.12 ambi=1 { CA:67.1 } atom: 1012 91P-HG3 G 1.77 ambi=2 { CG:25.1 } ::sumAvg: 4.205 atom: 1011 91P-HG2 G 1.5 ambi=2 { CG:25.1 } atom: 1352 125W-HE1 E1 9.6 ambi=1 { NE1:130.6 } :: atom: 1012 91P-HG3 G 1.77 ambi=2 { CG:25.1 } atom: 1352 125W-HE1 E1 9.6 ambi=1 { NE1:130.6 } ::sumAvg: 4.945 atom: 1011 91P-HG2 G 1.5 ambi=2 { CG:25.1 } atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } :: atom: 1012 91P-HG3 G 1.77 ambi=2 { CG:25.1 } atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } ::sumAvg: 4.27 atom: 1011 91P-HG2 G 1.5 ambi=2 { CG:25.1 } atom: 1416 131K-H N 8.76 ambi=1 { N:122.6 } :: atom: 1012 91P-HG3 G 1.77 ambi=2 { CG:25.1 } atom: 1416 131K-H N 8.76 ambi=1 { N:122.6 } ::sumAvg: 4.77 atom: 1435 132F-HB3 B 2.06 ambi=1 { CB:36.4 } atom: 1011 91P-HG2 G 1.5 ambi=2 { CG:25.1 } ::sumAvg: 4.895 atom: 1020 92T-HA A 4.12 ambi=1 { CA:67.1 } atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } ::sumAvg: 4.725 atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } atom: 1398 129V-HG1 G1 0.66 ambi=2 { CG1:20.4 } :: atom: 1013 91P-HD2 D 3.44 ambi=2 { CD:49.5 } atom: 1399 129V-HG2 G2 1.08 ambi=2 { CG2:22.9 } :: atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } atom: 1398 129V-HG1 G1 0.66 ambi=2 { CG1:20.4 } :: atom: 1014 91P-HD3 D 3.8 ambi=2 { CD:49.5 } atom: 1399 129V-HG2 G2 1.08 ambi=2 { CG2:22.9 } ::sumAvg: 4.78 atom: 1020 92T-HA A 4.12 ambi=1 { CA:67.1 } atom: 1351 125W-HD1 D1 6.93 ambi=1 { CD1:126.6 } ::sumAvg: 4.705 atom: 1351 125W-HD1 D1 6.93 ambi=1 { CD1:126.6 } atom: 1020 92T-HA A 4.12 ambi=1 { CA:67.1 } ::sumAvg: 4.705 atom: 1020 92T-HA A 4.12 ambi=1 { CA:67.1 } atom: 1397 129V-HB B 1.75 ambi=1 { CB:33.3 } ::sumAvg: 4.55 atom: 1021 92T-HB B 4.44 ambi=1 { CB:67.9 } atom: 1029 93T-HB B 3.67 ambi=1 { CB:69.9 } ::sumAvg: 4.365 atom: 1029 93T-HB B 3.67 ambi=1 { CB:69.9 } atom: 1021 92T-HB B 4.44 ambi=1 { CB:67.9 } ::sumAvg: 4.365 atom: 1022 92T-HG2 G2 1.25 ambi=1 { CG2:21.6 } atom: 1028 93T-HA A 4.28 ambi=1 { CA:59.6 } ::sumAvg: 3.865 atom: 1028 93T-HA A 4.28 ambi=1 { CA:59.6 } atom: 1022 92T-HG2 G2 1.25 ambi=1 { CG2:21.6 } ::sumAvg: 3.865 atom: 1022 92T-HG2 G2 1.25 ambi=1 { CG2:21.6 } atom: 1029 93T-HB B 3.67 ambi=1 { CB:69.9 } ::sumAvg: 4.445 atom: 1029 93T-HB B 3.67 ambi=1 { CB:69.9 } atom: 1022 92T-HG2 G2 1.25 ambi=1 { CG2:21.6 } ::sumAvg: 4.445 atom: 1028 93T-HA A 4.28 ambi=1 { CA:59.6 } atom: 1036 94A-HA A 3.87 ambi=1 { CA:49.7 } ::sumAvg: 4.33 atom: 1036 94A-HA A 3.87 ambi=1 { CA:49.7 } atom: 1028 93T-HA A 4.28 ambi=1 { CA:59.6 } ::sumAvg: 4.33 atom: 1028 93T-HA A 4.28 ambi=1 { CA:59.6 } atom: 1351 125W-HD1 D1 6.93 ambi=1 { CD1:126.6 } ::sumAvg: 3.865 atom: 1030 93T-HG2 G2 1.08 ambi=1 { CG2:21 } atom: 1036 94A-HA A 3.87 ambi=1 { CA:49.7 } ::sumAvg: 4.07 atom: 1041 95P-HA A 4.23 ambi=1 { CA:61.6 } atom: 1030 93T-HG2 G2 1.08 ambi=1 { CG2:21 } ::sumAvg: 4.6 atom: 1030 93T-HG2 G2 1.08 ambi=1 { CG2:21 } atom: 1056 96E-HG2 G 2.07 ambi=2 { CG:35.9 } :: atom: 1030 93T-HG2 G2 1.08 ambi=1 { CG2:21 } atom: 1057 96E-HG3 G 2.24 ambi=2 { CG:35.9 } ::sumAvg: 4.57 atom: 1030 93T-HG2 G2 1.08 ambi=1 { CG2:21 } atom: 1312 122K-HG3 G 1.72 ambi=2 { CG:26.5 } ::sumAvg: 4.745 atom: 1312 122K-HG3 G 1.72 ambi=2 { CG:26.5 } atom: 1030 93T-HG2 G2 1.08 ambi=1 { CG2:21 } ::sumAvg: 4.745 atom: 1030 93T-HG2 G2 1.08 ambi=1 { CG2:21 } atom: 1315 122K-QE E 2.99 ambi=2 { CE:41.8 } ::sumAvg: 4.8 atom: 1315 122K-QE E 2.99 ambi=2 { CE:41.8 } atom: 1030 93T-HG2 G2 1.08 ambi=1 { CG2:21 } ::sumAvg: 4.8 atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } atom: 1035 94A-H N 7.94 ambi=1 { N:126.2 } ::sumAvg: 4.95 atom: 1350 125W-HB3 B 3.07 ambi=1 { CB:27.6 } atom: 1035 94A-H N 7.94 ambi=1 { N:126.2 } ::sumAvg: 4.905 atom: 1351 125W-HD1 D1 6.93 ambi=1 { CD1:126.6 } atom: 1035 94A-H N 7.94 ambi=1 { N:126.2 } ::sumAvg: 4.135 atom: 1354 125W-HZ2 Z2 7.26 ambi=1 { CZ2:113.9 } atom: 1035 94A-H N 7.94 ambi=1 { N:126.2 } ::sumAvg: 4.795 atom: 1036 94A-HA A 3.87 ambi=1 { CA:49.7 } atom: 1042 95P-HB2 B 0.87 ambi=2 { CB:31.9 } :: atom: 1036 94A-HA A 3.87 ambi=1 { CA:49.7 } atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } ::sumAvg: 4.95 atom: 1036 94A-HA A 3.87 ambi=1 { CA:49.7 } atom: 1044 95P-HG2 G 1.32 ambi=2 { CG:27.9 } :: atom: 1036 94A-HA A 3.87 ambi=1 { CA:49.7 } atom: 1045 95P-HG3 G 1.47 ambi=2 { CG:27.9 } ::sumAvg: 4.295 atom: 1036 94A-HA A 3.87 ambi=1 { CA:49.7 } atom: 1352 125W-HE1 E1 9.6 ambi=1 { NE1:130.6 } ::sumAvg: 3.865 atom: 1356 125W-HH2 H2 7.06 ambi=1 { CH2:123.1 } atom: 1036 94A-HA A 3.87 ambi=1 { CA:49.7 } ::sumAvg: 4.515 atom: 1041 95P-HA A 4.23 ambi=1 { CA:61.6 } atom: 1037 94A-HB B 0.01 ambi=1 { CB:15.4 } ::sumAvg: 4.425 atom: 1042 95P-HB2 B 0.87 ambi=2 { CB:31.9 } atom: 1037 94A-HB B 0.01 ambi=1 { CB:15.4 } :: atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } atom: 1037 94A-HB B 0.01 ambi=1 { CB:15.4 } ::sumAvg: 4.745 atom: 1044 95P-HG2 G 1.32 ambi=2 { CG:27.9 } atom: 1037 94A-HB B 0.01 ambi=1 { CB:15.4 } :: atom: 1045 95P-HG3 G 1.47 ambi=2 { CG:27.9 } atom: 1037 94A-HB B 0.01 ambi=1 { CB:15.4 } ::sumAvg: 4.09 atom: 1349 125W-HB2 B 2.49 ambi=1 { CB:27.6 } atom: 1037 94A-HB B 0.01 ambi=1 { CB:15.4 } :: atom: 1350 125W-HB3 B 3.07 ambi=1 { CB:27.6 } atom: 1037 94A-HB B 0.01 ambi=1 { CB:15.4 } ::sumAvg: 4.045 atom: 1353 125W-HE3 E3 7.41 ambi=1 { CE3:120.1 } atom: 1037 94A-HB B 0.01 ambi=1 { CB:15.4 } ::sumAvg: 3.925 atom: 1355 125W-HZ3 Z3 7.04 ambi=1 { CZ3:123 } atom: 1037 94A-HB B 0.01 ambi=1 { CB:15.4 } ::sumAvg: 3.85 atom: 1356 125W-HH2 H2 7.06 ambi=1 { CH2:123.1 } atom: 1037 94A-HB B 0.01 ambi=1 { CB:15.4 } ::sumAvg: 3.7 atom: 1037 94A-HB B 0.01 ambi=1 { CB:15.4 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } ::sumAvg: 4.91 atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } atom: 1037 94A-HB B 0.01 ambi=1 { CB:15.4 } ::sumAvg: 4.91 atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } atom: 1037 94A-HB B 0.01 ambi=1 { CB:15.4 } :: atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } atom: 1037 94A-HB B 0.01 ambi=1 { CB:15.4 } ::sumAvg: 4.035 atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 1037 94A-HB B 0.01 ambi=1 { CB:15.4 } ::sumAvg: 2.66 atom: 1041 95P-HA A 4.23 ambi=1 { CA:61.6 } atom: 1046 95P-HD2 D 2.95 ambi=2 { CD:49.2 } ::sumAvg: 3.685 atom: 1041 95P-HA A 4.23 ambi=1 { CA:61.6 } atom: 1056 96E-HG2 G 2.07 ambi=2 { CG:35.9 } :: atom: 1041 95P-HA A 4.23 ambi=1 { CA:61.6 } atom: 1057 96E-HG3 G 2.24 ambi=2 { CG:35.9 } ::sumAvg: 4.12 atom: 1041 95P-HA A 4.23 ambi=1 { CA:61.6 } atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } ::sumAvg: 4.87 atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 1041 95P-HA A 4.23 ambi=1 { CA:61.6 } :: atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 1041 95P-HA A 4.23 ambi=1 { CA:61.6 } ::sumAvg: 4.8 atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } atom: 1042 95P-HB2 B 0.87 ambi=2 { CB:31.9 } :: atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } ::sumAvg: 4.665 atom: 1042 95P-HB2 B 0.87 ambi=2 { CB:31.9 } atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } :: atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } ::sumAvg: 4.435 atom: 1063 97I-HA A 3.79 ambi=1 { CA:62.8 } atom: 1042 95P-HB2 B 0.87 ambi=2 { CB:31.9 } :: atom: 1063 97I-HA A 3.79 ambi=1 { CA:62.8 } atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } ::sumAvg: 4.82 atom: 1042 95P-HB2 B 0.87 ambi=2 { CB:31.9 } atom: 1065 97I-HG12 G1 0.33 ambi=2 { CG1:27.6 } :: atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } atom: 1065 97I-HG12 G1 0.33 ambi=2 { CG1:27.6 } :: atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } atom: 1066 97I-HG13 G1 1.15 ambi=2 { CG1:27.6 } ::sumAvg: 4.175 atom: 1065 97I-HG12 G1 0.33 ambi=2 { CG1:27.6 } atom: 1042 95P-HB2 B 0.87 ambi=2 { CB:31.9 } :: atom: 1065 97I-HG12 G1 0.33 ambi=2 { CG1:27.6 } atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } :: atom: 1066 97I-HG13 G1 1.15 ambi=2 { CG1:27.6 } atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } ::sumAvg: 4.175 atom: 1042 95P-HB2 B 0.87 ambi=2 { CB:31.9 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 1042 95P-HB2 B 0.87 ambi=2 { CB:31.9 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } :: atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 1043 95P-HB3 B 2.45 ambi=2 { CB:31.9 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } ::sumAvg: 4.625 atom: 1044 95P-HG2 G 1.32 ambi=2 { CG:27.9 } atom: 1052 96E-H N 8.6 ambi=1 { N:119.5 } :: atom: 1045 95P-HG3 G 1.47 ambi=2 { CG:27.9 } atom: 1052 96E-H N 8.6 ambi=1 { N:119.5 } ::sumAvg: 4.595 atom: 1044 95P-HG2 G 1.32 ambi=2 { CG:27.9 } atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } :: atom: 1045 95P-HG3 G 1.47 ambi=2 { CG:27.9 } atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } ::sumAvg: 4.9 atom: 1356 125W-HH2 H2 7.06 ambi=1 { CH2:123.1 } atom: 1046 95P-HD2 D 2.95 ambi=2 { CD:49.2 } :: atom: 1356 125W-HH2 H2 7.06 ambi=1 { CH2:123.1 } atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } ::sumAvg: 4.08 atom: 1046 95P-HD2 D 2.95 ambi=2 { CD:49.2 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 1046 95P-HD2 D 2.95 ambi=2 { CD:49.2 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } :: atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } ::sumAvg: 3.935 atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } atom: 1046 95P-HD2 D 2.95 ambi=2 { CD:49.2 } :: atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } atom: 1046 95P-HD2 D 2.95 ambi=2 { CD:49.2 } :: atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } :: atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } ::sumAvg: 4.275 atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } atom: 1046 95P-HD2 D 2.95 ambi=2 { CD:49.2 } :: atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } atom: 1047 95P-HD3 D 3.85 ambi=2 { CD:49.2 } ::sumAvg: 4.98 atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } atom: 1063 97I-HA A 3.79 ambi=1 { CA:62.8 } ::sumAvg: 4.725 atom: 1063 97I-HA A 3.79 ambi=1 { CA:62.8 } atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } ::sumAvg: 4.725 atom: 1064 97I-HB B 1.26 ambi=1 { CB:38.7 } atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } ::sumAvg: 4.46 atom: 1065 97I-HG12 G1 0.33 ambi=2 { CG1:27.6 } atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } :: atom: 1066 97I-HG13 G1 1.15 ambi=2 { CG1:27.6 } atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } ::sumAvg: 4.025 atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } atom: 1068 97I-HD1 D1 0.43 ambi=1 { CD1:14.7 } ::sumAvg: 3.97 atom: 1219 114K-HG2 G 1.04 ambi=2 { CG:25.6 } atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } :: atom: 1220 114K-HG3 G 1.23 ambi=2 { CG:25.6 } atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } ::sumAvg: 4.555 atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } atom: 1223 114K-QE E 2.91 ambi=2 { CE:41.8 } ::sumAvg: 4.42 atom: 1223 114K-QE E 2.91 ambi=2 { CE:41.8 } atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } ::sumAvg: 4.42 atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } atom: 1231 115I-H N 7.91 ambi=1 { N:117.1 } ::sumAvg: 4.91 atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } :: atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } ::sumAvg: 4.96 atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } :: atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } ::sumAvg: 4.96 atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } ::sumAvg: 4.84 atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } ::sumAvg: 4.84 atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } :: atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } ::sumAvg: 3.88 atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } :: atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } ::sumAvg: 3.88 atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } :: atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } ::sumAvg: 4.895 atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } :: atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 1053 96E-HA A 4.26 ambi=1 { CA:54.1 } ::sumAvg: 4.895 atom: 1063 97I-HA A 3.79 ambi=1 { CA:62.8 } atom: 1054 96E-HB2 B 1.71 ambi=2 { CB:30.1 } :: atom: 1063 97I-HA A 3.79 ambi=1 { CA:62.8 } atom: 1055 96E-HB3 B 1.85 ambi=2 { CB:30.1 } ::sumAvg: 4.915 atom: 1054 96E-HB2 B 1.71 ambi=2 { CB:30.1 } atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } :: atom: 1055 96E-HB3 B 1.85 ambi=2 { CB:30.1 } atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } ::sumAvg: 3.65 atom: 1054 96E-HB2 B 1.71 ambi=2 { CB:30.1 } atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } :: atom: 1054 96E-HB2 B 1.71 ambi=2 { CB:30.1 } atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } :: atom: 1055 96E-HB3 B 1.85 ambi=2 { CB:30.1 } atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } :: atom: 1055 96E-HB3 B 1.85 ambi=2 { CB:30.1 } atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } ::sumAvg: 4.44 atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } atom: 1054 96E-HB2 B 1.71 ambi=2 { CB:30.1 } :: atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } atom: 1054 96E-HB2 B 1.71 ambi=2 { CB:30.1 } :: atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } atom: 1055 96E-HB3 B 1.85 ambi=2 { CB:30.1 } :: atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } atom: 1055 96E-HB3 B 1.85 ambi=2 { CB:30.1 } ::sumAvg: 4.44 atom: 1056 96E-HG2 G 2.07 ambi=2 { CG:35.9 } atom: 1223 114K-QE E 2.91 ambi=2 { CE:41.8 } :: atom: 1057 96E-HG3 G 2.24 ambi=2 { CG:35.9 } atom: 1223 114K-QE E 2.91 ambi=2 { CE:41.8 } ::sumAvg: 3.915 atom: 1056 96E-HG2 G 2.07 ambi=2 { CG:35.9 } atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } :: atom: 1056 96E-HG2 G 2.07 ambi=2 { CG:35.9 } atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } :: atom: 1057 96E-HG3 G 2.24 ambi=2 { CG:35.9 } atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } :: atom: 1057 96E-HG3 G 2.24 ambi=2 { CG:35.9 } atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } ::sumAvg: 4.35 atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } atom: 1056 96E-HG2 G 2.07 ambi=2 { CG:35.9 } :: atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } atom: 1056 96E-HG2 G 2.07 ambi=2 { CG:35.9 } :: atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } atom: 1057 96E-HG3 G 2.24 ambi=2 { CG:35.9 } :: atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } atom: 1057 96E-HG3 G 2.24 ambi=2 { CG:35.9 } ::sumAvg: 4.35 atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } ::sumAvg: 4.57 atom: 1217 114K-HB2 B 1.25 ambi=2 { CB:32.9 } atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } :: atom: 1218 114K-HB3 B 1.47 ambi=2 { CB:32.9 } atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } ::sumAvg: 4.87 atom: 1219 114K-HG2 G 1.04 ambi=2 { CG:25.6 } atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } :: atom: 1220 114K-HG3 G 1.23 ambi=2 { CG:25.6 } atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } ::sumAvg: 4.525 atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } :: atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } ::sumAvg: 3.74 atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } ::sumAvg: 4.88 atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } ::sumAvg: 3.89 atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } :: atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } ::sumAvg: 4.085 atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } :: atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 1062 97I-H N 8.55 ambi=1 { N:124.1 } ::sumAvg: 4.725 atom: 1063 97I-HA A 3.79 ambi=1 { CA:62.8 } atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } ::sumAvg: 4.335 atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } atom: 1063 97I-HA A 3.79 ambi=1 { CA:62.8 } ::sumAvg: 4.335 atom: 1063 97I-HA A 3.79 ambi=1 { CA:62.8 } atom: 1077 98A-HB B 1.34 ambi=1 { CB:21.6 } ::sumAvg: 3.945 atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } atom: 1063 97I-HA A 3.79 ambi=1 { CA:62.8 } :: atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } atom: 1063 97I-HA A 3.79 ambi=1 { CA:62.8 } ::sumAvg: 4.805 atom: 1063 97I-HA A 3.79 ambi=1 { CA:62.8 } atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } ::sumAvg: 4.785 atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 1063 97I-HA A 3.79 ambi=1 { CA:62.8 } :: atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 1063 97I-HA A 3.79 ambi=1 { CA:62.8 } ::sumAvg: 4.92 atom: 1064 97I-HB B 1.26 ambi=1 { CB:38.7 } atom: 1075 98A-H N 8.88 ambi=1 { N:128.8 } ::sumAvg: 4.215 atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } atom: 1064 97I-HB B 1.26 ambi=1 { CB:38.7 } ::sumAvg: 4.24 atom: 1064 97I-HB B 1.26 ambi=1 { CB:38.7 } atom: 1231 115I-H N 7.91 ambi=1 { N:117.1 } ::sumAvg: 4.82 atom: 1233 115I-HB B 0.37 ambi=1 { CB:37.5 } atom: 1064 97I-HB B 1.26 ambi=1 { CB:38.7 } ::sumAvg: 4.385 atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } atom: 1064 97I-HB B 1.26 ambi=1 { CB:38.7 } :: atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } atom: 1064 97I-HB B 1.26 ambi=1 { CB:38.7 } ::sumAvg: 2.96 atom: 1064 97I-HB B 1.26 ambi=1 { CB:38.7 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } ::sumAvg: 3.335 atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } atom: 1064 97I-HB B 1.26 ambi=1 { CB:38.7 } :: atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } atom: 1064 97I-HB B 1.26 ambi=1 { CB:38.7 } ::sumAvg: 4.235 atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 1064 97I-HB B 1.26 ambi=1 { CB:38.7 } :: atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 1064 97I-HB B 1.26 ambi=1 { CB:38.7 } ::sumAvg: 4.81 atom: 1064 97I-HB B 1.26 ambi=1 { CB:38.7 } atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } ::sumAvg: 4.315 atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } atom: 1064 97I-HB B 1.26 ambi=1 { CB:38.7 } ::sumAvg: 4.315 atom: 1065 97I-HG12 G1 0.33 ambi=2 { CG1:27.6 } atom: 1075 98A-H N 8.88 ambi=1 { N:128.8 } :: atom: 1066 97I-HG13 G1 1.15 ambi=2 { CG1:27.6 } atom: 1075 98A-H N 8.88 ambi=1 { N:128.8 } ::sumAvg: 4.31 atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } atom: 1066 97I-HG13 G1 1.15 ambi=2 { CG1:27.6 } :: atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } atom: 1066 97I-HG13 G1 1.15 ambi=2 { CG1:27.6 } ::sumAvg: 4.965 atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } atom: 1065 97I-HG12 G1 0.33 ambi=2 { CG1:27.6 } ::sumAvg: 4.26 atom: 1077 98A-HB B 1.34 ambi=1 { CB:21.6 } atom: 1067 97I-HG2 G2 0.67 ambi=1 { CG2:17.5 } ::sumAvg: 3.9 atom: 1067 97I-HG2 G2 0.67 ambi=1 { CG2:17.5 } atom: 1081 99V-H N 8.02 ambi=1 { N:119.5 } ::sumAvg: 3.58 atom: 1067 97I-HG2 G2 0.67 ambi=1 { CG2:17.5 } atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } ::sumAvg: 4.23 atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } atom: 1067 97I-HG2 G2 0.67 ambi=1 { CG2:17.5 } ::sumAvg: 4.23 atom: 1067 97I-HG2 G2 0.67 ambi=1 { CG2:17.5 } atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } ::sumAvg: 4.365 atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } atom: 1067 97I-HG2 G2 0.67 ambi=1 { CG2:17.5 } ::sumAvg: 4.365 atom: 1067 97I-HG2 G2 0.67 ambi=1 { CG2:17.5 } atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } ::sumAvg: 4.705 atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } atom: 1067 97I-HG2 G2 0.67 ambi=1 { CG2:17.5 } ::sumAvg: 4.705 atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 1067 97I-HG2 G2 0.67 ambi=1 { CG2:17.5 } ::sumAvg: 4.66 atom: 1067 97I-HG2 G2 0.67 ambi=1 { CG2:17.5 } atom: 1532 142L-HA A 4.08 ambi=1 { CA:57.9 } ::sumAvg: 4.565 atom: 1532 142L-HA A 4.08 ambi=1 { CA:57.9 } atom: 1067 97I-HG2 G2 0.67 ambi=1 { CG2:17.5 } ::sumAvg: 4.565 atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } atom: 1067 97I-HG2 G2 0.67 ambi=1 { CG2:17.5 } :: atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } atom: 1067 97I-HG2 G2 0.67 ambi=1 { CG2:17.5 } ::sumAvg: 3.505 atom: 1068 97I-HD1 D1 0.43 ambi=1 { CD1:14.7 } atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } ::sumAvg: 4.97 atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } atom: 1068 97I-HD1 D1 0.43 ambi=1 { CD1:14.7 } ::sumAvg: 4.97 atom: 1068 97I-HD1 D1 0.43 ambi=1 { CD1:14.7 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } ::sumAvg: 4.275 atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } atom: 1068 97I-HD1 D1 0.43 ambi=1 { CD1:14.7 } ::sumAvg: 4.275 atom: 1255 117L-HG G 1.35 ambi=1 { CG:26.3 } atom: 1068 97I-HD1 D1 0.43 ambi=1 { CD1:14.7 } ::sumAvg: 4.79 atom: 1068 97I-HD1 D1 0.43 ambi=1 { CD1:14.7 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } ::sumAvg: 4.23 atom: 1068 97I-HD1 D1 0.43 ambi=1 { CD1:14.7 } atom: 1498 138M-HA A 4.36 ambi=1 { CA:57 } ::sumAvg: 3.62 atom: 1498 138M-HA A 4.36 ambi=1 { CA:57 } atom: 1068 97I-HD1 D1 0.43 ambi=1 { CD1:14.7 } ::sumAvg: 3.62 atom: 1068 97I-HD1 D1 0.43 ambi=1 { CD1:14.7 } atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } ::sumAvg: 3.8 atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } atom: 1068 97I-HD1 D1 0.43 ambi=1 { CD1:14.7 } ::sumAvg: 3.8 atom: 1068 97I-HD1 D1 0.43 ambi=1 { CD1:14.7 } atom: 1535 142L-HG G 1.88 ambi=1 { CG:27 } ::sumAvg: 4.985 atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } atom: 1075 98A-H N 8.88 ambi=1 { N:128.8 } ::sumAvg: 4.86 atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } atom: 1075 98A-H N 8.88 ambi=1 { N:128.8 } :: atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } atom: 1075 98A-H N 8.88 ambi=1 { N:128.8 } ::sumAvg: 4.455 atom: 1096 100P-HD2 D 3.48 ambi=2 { CD:49.8 } atom: 1075 98A-H N 8.88 ambi=1 { N:128.8 } :: atom: 1097 100P-HD3 D 3.77 ambi=2 { CD:49.8 } atom: 1075 98A-H N 8.88 ambi=1 { N:128.8 } ::sumAvg: 4.62 atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } atom: 1075 98A-H N 8.88 ambi=1 { N:128.8 } ::sumAvg: 4.77 atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } ::sumAvg: 4.675 atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } ::sumAvg: 4.675 atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } atom: 1096 100P-HD2 D 3.48 ambi=2 { CD:49.8 } :: atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } atom: 1097 100P-HD3 D 3.77 ambi=2 { CD:49.8 } ::sumAvg: 4.67 atom: 1096 100P-HD2 D 3.48 ambi=2 { CD:49.8 } atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } :: atom: 1097 100P-HD3 D 3.77 ambi=2 { CD:49.8 } atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } ::sumAvg: 4.67 atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } ::sumAvg: 4.77 atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } ::sumAvg: 4.77 atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } ::sumAvg: 3.32 atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } ::sumAvg: 3.32 atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } atom: 1215 114K-H N 7 ambi=1 { N:118.4 } ::sumAvg: 3.33 atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } ::sumAvg: 3.025 atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } atom: 1217 114K-HB2 B 1.25 ambi=2 { CB:32.9 } :: atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } atom: 1218 114K-HB3 B 1.47 ambi=2 { CB:32.9 } ::sumAvg: 4.87 atom: 1217 114K-HB2 B 1.25 ambi=2 { CB:32.9 } atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } :: atom: 1218 114K-HB3 B 1.47 ambi=2 { CB:32.9 } atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } ::sumAvg: 4.87 atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } atom: 1219 114K-HG2 G 1.04 ambi=2 { CG:25.6 } :: atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } atom: 1220 114K-HG3 G 1.23 ambi=2 { CG:25.6 } ::sumAvg: 4.64 atom: 1219 114K-HG2 G 1.04 ambi=2 { CG:25.6 } atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } :: atom: 1220 114K-HG3 G 1.23 ambi=2 { CG:25.6 } atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } ::sumAvg: 4.64 atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } :: atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } ::sumAvg: 4.75 atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } ::sumAvg: 4.555 atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } atom: 1076 98A-HA A 5.09 ambi=1 { CA:50.2 } ::sumAvg: 4.555 atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } atom: 1077 98A-HB B 1.34 ambi=1 { CB:21.6 } ::sumAvg: 4.01 atom: 1077 98A-HB B 1.34 ambi=1 { CB:21.6 } atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } ::sumAvg: 4.935 atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } atom: 1077 98A-HB B 1.34 ambi=1 { CB:21.6 } ::sumAvg: 4.935 atom: 1077 98A-HB B 1.34 ambi=1 { CB:21.6 } atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } :: atom: 1077 98A-HB B 1.34 ambi=1 { CB:21.6 } atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } ::sumAvg: 4.29 atom: 1077 98A-HB B 1.34 ambi=1 { CB:21.6 } atom: 1091 100P-HA A 4.13 ambi=1 { CA:66.4 } ::sumAvg: 4.345 atom: 1091 100P-HA A 4.13 ambi=1 { CA:66.4 } atom: 1077 98A-HB B 1.34 ambi=1 { CB:21.6 } ::sumAvg: 4.345 atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } atom: 1077 98A-HB B 1.34 ambi=1 { CB:21.6 } ::sumAvg: 3.2 atom: 1077 98A-HB B 1.34 ambi=1 { CB:21.6 } atom: 1215 114K-H N 7 ambi=1 { N:118.4 } ::sumAvg: 3.995 atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } atom: 1077 98A-HB B 1.34 ambi=1 { CB:21.6 } ::sumAvg: 3.545 atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } atom: 1081 99V-H N 8.02 ambi=1 { N:119.5 } ::sumAvg: 2.61 atom: 1091 100P-HA A 4.13 ambi=1 { CA:66.4 } atom: 1081 99V-H N 8.02 ambi=1 { N:119.5 } ::sumAvg: 4.9 atom: 1096 100P-HD2 D 3.48 ambi=2 { CD:49.8 } atom: 1081 99V-H N 8.02 ambi=1 { N:119.5 } :: atom: 1097 100P-HD3 D 3.77 ambi=2 { CD:49.8 } atom: 1081 99V-H N 8.02 ambi=1 { N:119.5 } ::sumAvg: 2.92 atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } atom: 1081 99V-H N 8.02 ambi=1 { N:119.5 } ::sumAvg: 4.735 atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } atom: 1081 99V-H N 8.02 ambi=1 { N:119.5 } ::sumAvg: 4.47 atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } atom: 1091 100P-HA A 4.13 ambi=1 { CA:66.4 } ::sumAvg: 4.62 atom: 1091 100P-HA A 4.13 ambi=1 { CA:66.4 } atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } ::sumAvg: 4.62 atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } atom: 1094 100P-HG2 G 1.88 ambi=2 { CG:27.1 } :: atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } atom: 1095 100P-HG3 G 2.12 ambi=2 { CG:27.1 } ::sumAvg: 4.475 atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } ::sumAvg: 3.495 atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } atom: 1112 102L-H N 7.93 ambi=1 { N:116.5 } ::sumAvg: 4.415 atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } ::sumAvg: 4.995 atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } atom: 1082 99V-HA A 4.9 ambi=1 { CA:58.3 } ::sumAvg: 4.995 atom: 1096 100P-HD2 D 3.48 ambi=2 { CD:49.8 } atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } :: atom: 1097 100P-HD3 D 3.77 ambi=2 { CD:49.8 } atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } ::sumAvg: 4.63 atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } ::sumAvg: 4.63 atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } atom: 1112 102L-H N 7.93 ambi=1 { N:116.5 } ::sumAvg: 3.98 atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } atom: 1116 102L-HG G 1.35 ambi=1 { CG:26.9 } ::sumAvg: 4.225 atom: 1116 102L-HG G 1.35 ambi=1 { CG:26.9 } atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } ::sumAvg: 4.225 atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } ::sumAvg: 4.685 atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } ::sumAvg: 4.685 atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } atom: 1569 145W-HH2 H2 6.62 ambi=1 { CH2:122.7 } ::sumAvg: 4.74 atom: 1569 145W-HH2 H2 6.62 ambi=1 { CH2:122.7 } atom: 1083 99V-HB B 1.96 ambi=1 { CB:31.4 } ::sumAvg: 4.74 atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } atom: 1091 100P-HA A 4.13 ambi=1 { CA:66.4 } :: atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } atom: 1091 100P-HA A 4.13 ambi=1 { CA:66.4 } ::sumAvg: 4.56 atom: 1091 100P-HA A 4.13 ambi=1 { CA:66.4 } atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } :: atom: 1091 100P-HA A 4.13 ambi=1 { CA:66.4 } atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } ::sumAvg: 4.56 atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } atom: 1103 101E-HA A 4.3 ambi=1 { CA:58.3 } :: atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } atom: 1103 101E-HA A 4.3 ambi=1 { CA:58.3 } ::sumAvg: 4.395 atom: 1103 101E-HA A 4.3 ambi=1 { CA:58.3 } atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } :: atom: 1103 101E-HA A 4.3 ambi=1 { CA:58.3 } atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } ::sumAvg: 4.395 atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } :: atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } ::sumAvg: 4.145 atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } :: atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } ::sumAvg: 4.145 atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } :: atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } ::sumAvg: 2.465 atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } atom: 1125 103D-H N 7.36 ambi=1 { N:119.9 } :: atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } atom: 1125 103D-H N 7.36 ambi=1 { N:119.9 } ::sumAvg: 3.995 atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } ::sumAvg: 4.95 atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } atom: 1233 115I-HB B 0.37 ambi=1 { CB:37.5 } ::sumAvg: 4.46 atom: 1233 115I-HB B 0.37 ambi=1 { CB:37.5 } atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } ::sumAvg: 4.46 atom: 1537 142L-HD2 D2 1.16 ambi=2 { CD2:27.2 } atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } ::sumAvg: 2.95 atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } atom: 1566 145W-HE3 E3 7.08 ambi=1 { CE3:119.6 } :: atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } atom: 1566 145W-HE3 E3 7.08 ambi=1 { CE3:119.6 } ::sumAvg: 4.305 atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } atom: 1569 145W-HH2 H2 6.62 ambi=1 { CH2:122.7 } :: atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } atom: 1569 145W-HH2 H2 6.62 ambi=1 { CH2:122.7 } ::sumAvg: 3.915 atom: 1585 146L-HD2 D2 1.14 ambi=2 { CD2:27.6 } atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } ::sumAvg: 3.65 atom: 1084 99V-HG1 G1 0.58 ambi=2 { CG1:20 } atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } :: atom: 1085 99V-HG2 G2 0.93 ambi=2 { CG2:22.2 } atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } ::sumAvg: 4.745 atom: 1091 100P-HA A 4.13 ambi=1 { CA:66.4 } atom: 1112 102L-H N 7.93 ambi=1 { N:116.5 } ::sumAvg: 4.1 atom: 1127 103D-HB2 B 2.6 ambi=2 { CB:41 } atom: 1091 100P-HA A 4.13 ambi=1 { CA:66.4 } :: atom: 1128 103D-HB3 B 2.72 ambi=2 { CB:41 } atom: 1091 100P-HA A 4.13 ambi=1 { CA:66.4 } ::sumAvg: 3.385 atom: 1092 100P-HB2 B 2.03 ambi=1 { CB:32.3 } atom: 1103 101E-HA A 4.3 ambi=1 { CA:58.3 } ::sumAvg: 4.07 atom: 1103 101E-HA A 4.3 ambi=1 { CA:58.3 } atom: 1092 100P-HB2 B 2.03 ambi=1 { CB:32.3 } ::sumAvg: 4.07 atom: 1106 101E-QG G 2.43 ambi=2 { CG:36.8 } atom: 1092 100P-HB2 B 2.03 ambi=1 { CB:32.3 } ::sumAvg: 4.61 atom: 1096 100P-HD2 D 3.48 ambi=2 { CD:49.8 } atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } :: atom: 1097 100P-HD3 D 3.77 ambi=2 { CD:49.8 } atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } ::sumAvg: 2.98 atom: 1104 101E-HB2 B 2.17 ambi=1 { CB:30.2 } atom: 1096 100P-HD2 D 3.48 ambi=2 { CD:49.8 } :: atom: 1104 101E-HB2 B 2.17 ambi=1 { CB:30.2 } atom: 1097 100P-HD3 D 3.77 ambi=2 { CD:49.8 } ::sumAvg: 4.785 atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } ::sumAvg: 4.55 atom: 1116 102L-HG G 1.35 ambi=1 { CG:26.9 } atom: 1102 101E-H N 9.68 ambi=1 { N:116.4 } ::sumAvg: 4.435 atom: 1103 101E-HA A 4.3 ambi=1 { CA:58.3 } atom: 1125 103D-H N 7.36 ambi=1 { N:119.9 } ::sumAvg: 4.045 atom: 1127 103D-HB2 B 2.6 ambi=2 { CB:41 } atom: 1103 101E-HA A 4.3 ambi=1 { CA:58.3 } :: atom: 1128 103D-HB3 B 2.72 ambi=2 { CB:41 } atom: 1103 101E-HA A 4.3 ambi=1 { CA:58.3 } ::sumAvg: 4.695 atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } atom: 1105 101E-HB3 B 2.39 ambi=1 { CB:30.2 } ::sumAvg: 4.4 atom: 1105 101E-HB3 B 2.39 ambi=1 { CB:30.2 } atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } ::sumAvg: 4.725 atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } atom: 1105 101E-HB3 B 2.39 ambi=1 { CB:30.2 } ::sumAvg: 4.725 atom: 1104 101E-HB2 B 2.17 ambi=1 { CB:30.2 } atom: 1116 102L-HG G 1.35 ambi=1 { CG:26.9 } :: atom: 1105 101E-HB3 B 2.39 ambi=1 { CB:30.2 } atom: 1116 102L-HG G 1.35 ambi=1 { CG:26.9 } ::sumAvg: 3.445 atom: 1116 102L-HG G 1.35 ambi=1 { CG:26.9 } atom: 1104 101E-HB2 B 2.17 ambi=1 { CB:30.2 } :: atom: 1116 102L-HG G 1.35 ambi=1 { CG:26.9 } atom: 1105 101E-HB3 B 2.39 ambi=1 { CB:30.2 } ::sumAvg: 3.445 atom: 1104 101E-HB2 B 2.17 ambi=1 { CB:30.2 } atom: 1117 102L-HD1 D1 0.5 ambi=2 { CD1:25.1 } :: atom: 1104 101E-HB2 B 2.17 ambi=1 { CB:30.2 } atom: 1118 102L-HD2 D2 0.68 ambi=2 { CD2:22.5 } :: atom: 1105 101E-HB3 B 2.39 ambi=1 { CB:30.2 } atom: 1117 102L-HD1 D1 0.5 ambi=2 { CD1:25.1 } :: atom: 1105 101E-HB3 B 2.39 ambi=1 { CB:30.2 } atom: 1118 102L-HD2 D2 0.68 ambi=2 { CD2:22.5 } ::sumAvg: 3.955 atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } atom: 1106 101E-QG G 2.43 ambi=2 { CG:36.8 } ::sumAvg: 4.86 atom: 1116 102L-HG G 1.35 ambi=1 { CG:26.9 } atom: 1106 101E-QG G 2.43 ambi=2 { CG:36.8 } ::sumAvg: 4.035 atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } atom: 1112 102L-H N 7.93 ambi=1 { N:116.5 } ::sumAvg: 2.28 atom: 1126 103D-HA A 4.44 ambi=1 { CA:56.4 } atom: 1112 102L-H N 7.93 ambi=1 { N:116.5 } ::sumAvg: 4.57 atom: 1127 103D-HB2 B 2.6 ambi=2 { CB:41 } atom: 1112 102L-H N 7.93 ambi=1 { N:116.5 } :: atom: 1128 103D-HB3 B 2.72 ambi=2 { CB:41 } atom: 1112 102L-H N 7.93 ambi=1 { N:116.5 } ::sumAvg: 4.235 atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } atom: 1132 104G-H N 8.62 ambi=1 { N:115 } ::sumAvg: 4.32 atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } atom: 1137 105K-H N 8.33 ambi=1 { N:117.5 } ::sumAvg: 3.57 atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } atom: 1139 105K-HB2 B 1.76 ambi=2 { CB:33.3 } :: atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } atom: 1140 105K-HB3 B 1.82 ambi=2 { CB:33.3 } ::sumAvg: 2.65 atom: 1141 105K-HG2 G 1.3 ambi=2 { CG:25.6 } atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } :: atom: 1142 105K-HG3 G 1.36 ambi=2 { CG:25.6 } atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } ::sumAvg: 3.43 atom: 1143 105K-QD D 1.6 ambi=2 { CD:29.1 } atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } ::sumAvg: 3.52 atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } atom: 1145 105K-QE E 3.12 ambi=2 { CE:42.5 } ::sumAvg: 4.505 atom: 1145 105K-QE E 3.12 ambi=2 { CE:42.5 } atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } ::sumAvg: 4.505 atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } ::sumAvg: 4.36 atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } ::sumAvg: 4.515 atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } ::sumAvg: 4.515 atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } ::sumAvg: 4.82 atom: 1113 102L-HA A 4.34 ambi=1 { CA:53.9 } atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } ::sumAvg: 4.83 atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } atom: 1125 103D-H N 7.36 ambi=1 { N:119.9 } ::sumAvg: 3.11 atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } atom: 1126 103D-HA A 4.44 ambi=1 { CA:56.4 } ::sumAvg: 4.095 atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } atom: 1127 103D-HB2 B 2.6 ambi=2 { CB:41 } :: atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } atom: 1128 103D-HB3 B 2.72 ambi=2 { CB:41 } ::sumAvg: 4.87 atom: 1127 103D-HB2 B 2.6 ambi=2 { CB:41 } atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } :: atom: 1128 103D-HB3 B 2.72 ambi=2 { CB:41 } atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } ::sumAvg: 4.87 atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } atom: 1132 104G-H N 8.62 ambi=1 { N:115 } ::sumAvg: 4.12 atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } atom: 1137 105K-H N 8.33 ambi=1 { N:117.5 } ::sumAvg: 3.845 atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } ::sumAvg: 3.86 atom: 1155 106T-HB B 4.2 ambi=1 { CB:68.6 } atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } ::sumAvg: 3.475 atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } ::sumAvg: 3.035 atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } ::sumAvg: 3.035 atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } atom: 1174 109M-HG2 G 2.3 ambi=2 { CG:36 } :: atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } atom: 1175 109M-HG3 G 2.4 ambi=2 { CG:36 } ::sumAvg: 4.585 atom: 1174 109M-HG2 G 2.3 ambi=2 { CG:36 } atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } :: atom: 1175 109M-HG3 G 2.4 ambi=2 { CG:36 } atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } ::sumAvg: 4.585 atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } ::sumAvg: 4.935 atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } ::sumAvg: 4.935 atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } ::sumAvg: 4.68 atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } ::sumAvg: 4.68 atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } atom: 1569 145W-HH2 H2 6.62 ambi=1 { CH2:122.7 } ::sumAvg: 3.615 atom: 1569 145W-HH2 H2 6.62 ambi=1 { CH2:122.7 } atom: 1114 102L-QB B 1.6 ambi=2 { CB:42.1 } ::sumAvg: 3.615 atom: 1116 102L-HG G 1.35 ambi=1 { CG:26.9 } atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } ::sumAvg: 4.98 atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } atom: 1116 102L-HG G 1.35 ambi=1 { CG:26.9 } ::sumAvg: 4.98 atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } atom: 1116 102L-HG G 1.35 ambi=1 { CG:26.9 } :: atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } atom: 1116 102L-HG G 1.35 ambi=1 { CG:26.9 } ::sumAvg: 4.98 atom: 1117 102L-HD1 D1 0.5 ambi=2 { CD1:25.1 } atom: 1137 105K-H N 8.33 ambi=1 { N:117.5 } :: atom: 1118 102L-HD2 D2 0.68 ambi=2 { CD2:22.5 } atom: 1137 105K-H N 8.33 ambi=1 { N:117.5 } ::sumAvg: 4.48 atom: 1117 102L-HD1 D1 0.5 ambi=2 { CD1:25.1 } atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } :: atom: 1118 102L-HD2 D2 0.68 ambi=2 { CD2:22.5 } atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } ::sumAvg: 4.64 atom: 1117 102L-HD1 D1 0.5 ambi=2 { CD1:25.1 } atom: 1155 106T-HB B 4.2 ambi=1 { CB:68.6 } :: atom: 1118 102L-HD2 D2 0.68 ambi=2 { CD2:22.5 } atom: 1155 106T-HB B 4.2 ambi=1 { CB:68.6 } ::sumAvg: 3.64 atom: 1117 102L-HD1 D1 0.5 ambi=2 { CD1:25.1 } atom: 1580 146L-HA A 3.58 ambi=1 { CA:57.8 } :: atom: 1118 102L-HD2 D2 0.68 ambi=2 { CD2:22.5 } atom: 1580 146L-HA A 3.58 ambi=1 { CA:57.8 } ::sumAvg: 4.805 atom: 1580 146L-HA A 3.58 ambi=1 { CA:57.8 } atom: 1117 102L-HD1 D1 0.5 ambi=2 { CD1:25.1 } :: atom: 1580 146L-HA A 3.58 ambi=1 { CA:57.8 } atom: 1118 102L-HD2 D2 0.68 ambi=2 { CD2:22.5 } ::sumAvg: 4.805 atom: 1611 149E-HB3 B 0.96 ambi=2 { CB:29.2 } atom: 1117 102L-HD1 D1 0.5 ambi=2 { CD1:25.1 } :: atom: 1610 149E-HB2 B 0.27 ambi=2 { CB:29.2 } atom: 1118 102L-HD2 D2 0.68 ambi=2 { CD2:22.5 } ::sumAvg: 4.7 atom: 1117 102L-HD1 D1 0.5 ambi=2 { CD1:25.1 } atom: 1613 149E-HG3 G 1.28 ambi=2 { CG:34.2 } :: atom: 1118 102L-HD2 D2 0.68 ambi=2 { CD2:22.5 } atom: 1613 149E-HG3 G 1.28 ambi=2 { CG:34.2 } ::sumAvg: 4.77 atom: 1613 149E-HG3 G 1.28 ambi=2 { CG:34.2 } atom: 1117 102L-HD1 D1 0.5 ambi=2 { CD1:25.1 } :: atom: 1613 149E-HG3 G 1.28 ambi=2 { CG:34.2 } atom: 1118 102L-HD2 D2 0.68 ambi=2 { CD2:22.5 } ::sumAvg: 4.77 atom: 1117 102L-HD1 D1 0.5 ambi=2 { CD1:25.1 } atom: 1619 150I-HA A 3.54 ambi=1 { CA:63.4 } :: atom: 1118 102L-HD2 D2 0.68 ambi=2 { CD2:22.5 } atom: 1619 150I-HA A 3.54 ambi=1 { CA:63.4 } ::sumAvg: 4.24 atom: 1117 102L-HD1 D1 0.5 ambi=2 { CD1:25.1 } atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } ::sumAvg: 3.58 atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } atom: 1117 102L-HD1 D1 0.5 ambi=2 { CD1:25.1 } ::sumAvg: 3.58 atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } atom: 1117 102L-HD1 D1 0.5 ambi=2 { CD1:25.1 } ::sumAvg: 4.405 atom: 1143 105K-QD D 1.6 ambi=2 { CD:29.1 } atom: 1125 103D-H N 7.36 ambi=1 { N:119.9 } ::sumAvg: 4.74 atom: 1126 103D-HA A 4.44 ambi=1 { CA:56.4 } atom: 1134 104G-HA3 A 3.79 ambi=2 { CA:45.8 } ::sumAvg: 4.38 atom: 1134 104G-HA3 A 3.79 ambi=2 { CA:45.8 } atom: 1126 103D-HA A 4.44 ambi=1 { CA:56.4 } ::sumAvg: 4.38 atom: 1126 103D-HA A 4.44 ambi=1 { CA:56.4 } atom: 1174 109M-HG2 G 2.3 ambi=2 { CG:36 } :: atom: 1126 103D-HA A 4.44 ambi=1 { CA:56.4 } atom: 1175 109M-HG3 G 2.4 ambi=2 { CG:36 } ::sumAvg: 4.12 atom: 1174 109M-HG2 G 2.3 ambi=2 { CG:36 } atom: 1126 103D-HA A 4.44 ambi=1 { CA:56.4 } :: atom: 1175 109M-HG3 G 2.4 ambi=2 { CG:36 } atom: 1126 103D-HA A 4.44 ambi=1 { CA:56.4 } ::sumAvg: 4.12 atom: 1126 103D-HA A 4.44 ambi=1 { CA:56.4 } atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } ::sumAvg: 4.67 atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } atom: 1126 103D-HA A 4.44 ambi=1 { CA:56.4 } ::sumAvg: 4.67 atom: 1127 103D-HB2 B 2.6 ambi=2 { CB:41 } atom: 1132 104G-H N 8.62 ambi=1 { N:115 } :: atom: 1128 103D-HB3 B 2.72 ambi=2 { CB:41 } atom: 1132 104G-H N 8.62 ambi=1 { N:115 } ::sumAvg: 3.58 atom: 1133 104G-HA2 A 4.25 ambi=2 { CA:45.8 } atom: 1127 103D-HB2 B 2.6 ambi=2 { CB:41 } :: atom: 1134 104G-HA3 A 3.79 ambi=2 { CA:45.8 } atom: 1127 103D-HB2 B 2.6 ambi=2 { CB:41 } :: atom: 1133 104G-HA2 A 4.25 ambi=2 { CA:45.8 } atom: 1128 103D-HB3 B 2.72 ambi=2 { CB:41 } :: atom: 1134 104G-HA3 A 3.79 ambi=2 { CA:45.8 } atom: 1128 103D-HB3 B 2.72 ambi=2 { CB:41 } ::sumAvg: 4.655 atom: 1127 103D-HB2 B 2.6 ambi=2 { CB:41 } atom: 1141 105K-HG2 G 1.3 ambi=2 { CG:25.6 } :: atom: 1127 103D-HB2 B 2.6 ambi=2 { CB:41 } atom: 1142 105K-HG3 G 1.36 ambi=2 { CG:25.6 } :: atom: 1128 103D-HB3 B 2.72 ambi=2 { CB:41 } atom: 1141 105K-HG2 G 1.3 ambi=2 { CG:25.6 } :: atom: 1128 103D-HB3 B 2.72 ambi=2 { CB:41 } atom: 1142 105K-HG3 G 1.36 ambi=2 { CG:25.6 } ::sumAvg: 4.96 atom: 1141 105K-HG2 G 1.3 ambi=2 { CG:25.6 } atom: 1127 103D-HB2 B 2.6 ambi=2 { CB:41 } :: atom: 1142 105K-HG3 G 1.36 ambi=2 { CG:25.6 } atom: 1127 103D-HB2 B 2.6 ambi=2 { CB:41 } :: atom: 1141 105K-HG2 G 1.3 ambi=2 { CG:25.6 } atom: 1128 103D-HB3 B 2.72 ambi=2 { CB:41 } :: atom: 1142 105K-HG3 G 1.36 ambi=2 { CG:25.6 } atom: 1128 103D-HB3 B 2.72 ambi=2 { CB:41 } ::sumAvg: 4.96 atom: 1127 103D-HB2 B 2.6 ambi=2 { CB:41 } atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } :: atom: 1128 103D-HB3 B 2.72 ambi=2 { CB:41 } atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } ::sumAvg: 4.535 atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } atom: 1127 103D-HB2 B 2.6 ambi=2 { CB:41 } :: atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } atom: 1128 103D-HB3 B 2.72 ambi=2 { CB:41 } ::sumAvg: 4.535 atom: 1127 103D-HB2 B 2.6 ambi=2 { CB:41 } atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } :: atom: 1128 103D-HB3 B 2.72 ambi=2 { CB:41 } atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } ::sumAvg: 4.125 atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } atom: 1127 103D-HB2 B 2.6 ambi=2 { CB:41 } :: atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } atom: 1128 103D-HB3 B 2.72 ambi=2 { CB:41 } ::sumAvg: 4.125 atom: 1139 105K-HB2 B 1.76 ambi=2 { CB:33.3 } atom: 1132 104G-H N 8.62 ambi=1 { N:115 } :: atom: 1140 105K-HB3 B 1.82 ambi=2 { CB:33.3 } atom: 1132 104G-H N 8.62 ambi=1 { N:115 } ::sumAvg: 4.325 atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } atom: 1132 104G-H N 8.62 ambi=1 { N:115 } ::sumAvg: 4.57 atom: 1174 109M-HG2 G 2.3 ambi=2 { CG:36 } atom: 1132 104G-H N 8.62 ambi=1 { N:115 } :: atom: 1175 109M-HG3 G 2.4 ambi=2 { CG:36 } atom: 1132 104G-H N 8.62 ambi=1 { N:115 } ::sumAvg: 4.49 atom: 1134 104G-HA3 A 3.79 ambi=2 { CA:45.8 } atom: 1138 105K-HA A 4.41 ambi=1 { CA:56.4 } ::sumAvg: 4.455 atom: 1138 105K-HA A 4.41 ambi=1 { CA:56.4 } atom: 1134 104G-HA3 A 3.79 ambi=2 { CA:45.8 } ::sumAvg: 4.455 atom: 1133 104G-HA2 A 4.25 ambi=2 { CA:45.8 } atom: 1141 105K-HG2 G 1.3 ambi=2 { CG:25.6 } :: atom: 1133 104G-HA2 A 4.25 ambi=2 { CA:45.8 } atom: 1142 105K-HG3 G 1.36 ambi=2 { CG:25.6 } :: atom: 1134 104G-HA3 A 3.79 ambi=2 { CA:45.8 } atom: 1141 105K-HG2 G 1.3 ambi=2 { CG:25.6 } :: atom: 1134 104G-HA3 A 3.79 ambi=2 { CA:45.8 } atom: 1142 105K-HG3 G 1.36 ambi=2 { CG:25.6 } ::sumAvg: 4.625 atom: 1141 105K-HG2 G 1.3 ambi=2 { CG:25.6 } atom: 1133 104G-HA2 A 4.25 ambi=2 { CA:45.8 } :: atom: 1142 105K-HG3 G 1.36 ambi=2 { CG:25.6 } atom: 1133 104G-HA2 A 4.25 ambi=2 { CA:45.8 } :: atom: 1141 105K-HG2 G 1.3 ambi=2 { CG:25.6 } atom: 1134 104G-HA3 A 3.79 ambi=2 { CA:45.8 } :: atom: 1142 105K-HG3 G 1.36 ambi=2 { CG:25.6 } atom: 1134 104G-HA3 A 3.79 ambi=2 { CA:45.8 } ::sumAvg: 4.625 atom: 1133 104G-HA2 A 4.25 ambi=2 { CA:45.8 } atom: 1143 105K-QD D 1.6 ambi=2 { CD:29.1 } :: atom: 1134 104G-HA3 A 3.79 ambi=2 { CA:45.8 } atom: 1143 105K-QD D 1.6 ambi=2 { CD:29.1 } ::sumAvg: 4.905 atom: 1133 104G-HA2 A 4.25 ambi=2 { CA:45.8 } atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } :: atom: 1134 104G-HA3 A 3.79 ambi=2 { CA:45.8 } atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } ::sumAvg: 4.205 atom: 1154 106T-HA A 4.63 ambi=1 { CA:58.4 } atom: 1137 105K-H N 8.33 ambi=1 { N:117.5 } ::sumAvg: 4.735 atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } atom: 1137 105K-H N 8.33 ambi=1 { N:117.5 } ::sumAvg: 4.915 atom: 1139 105K-HB2 B 1.76 ambi=2 { CB:33.3 } atom: 1154 106T-HA A 4.63 ambi=1 { CA:58.4 } :: atom: 1140 105K-HB3 B 1.82 ambi=2 { CB:33.3 } atom: 1154 106T-HA A 4.63 ambi=1 { CA:58.4 } ::sumAvg: 4.515 atom: 1154 106T-HA A 4.63 ambi=1 { CA:58.4 } atom: 1139 105K-HB2 B 1.76 ambi=2 { CB:33.3 } :: atom: 1154 106T-HA A 4.63 ambi=1 { CA:58.4 } atom: 1140 105K-HB3 B 1.82 ambi=2 { CB:33.3 } ::sumAvg: 4.515 atom: 1139 105K-HB2 B 1.76 ambi=2 { CB:33.3 } atom: 1155 106T-HB B 4.2 ambi=1 { CB:68.6 } :: atom: 1140 105K-HB3 B 1.82 ambi=2 { CB:33.3 } atom: 1155 106T-HB B 4.2 ambi=1 { CB:68.6 } ::sumAvg: 4.905 atom: 1139 105K-HB2 B 1.76 ambi=2 { CB:33.3 } atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } :: atom: 1140 105K-HB3 B 1.82 ambi=2 { CB:33.3 } atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } ::sumAvg: 3.98 atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } atom: 1139 105K-HB2 B 1.76 ambi=2 { CB:33.3 } :: atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } atom: 1140 105K-HB3 B 1.82 ambi=2 { CB:33.3 } ::sumAvg: 3.98 atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } atom: 1139 105K-HB2 B 1.76 ambi=2 { CB:33.3 } :: atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } atom: 1139 105K-HB2 B 1.76 ambi=2 { CB:33.3 } :: atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } atom: 1140 105K-HB3 B 1.82 ambi=2 { CB:33.3 } :: atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } atom: 1140 105K-HB3 B 1.82 ambi=2 { CB:33.3 } ::sumAvg: 3.86 atom: 1139 105K-HB2 B 1.76 ambi=2 { CB:33.3 } atom: 1711 158V-HB B 2.17 ambi=1 { CB:32.2 } ::sumAvg: 3.925 atom: 1711 158V-HB B 2.17 ambi=1 { CB:32.2 } atom: 1139 105K-HB2 B 1.76 ambi=2 { CB:33.3 } ::sumAvg: 3.925 atom: 1139 105K-HB2 B 1.76 ambi=2 { CB:33.3 } atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } :: atom: 1140 105K-HB3 B 1.82 ambi=2 { CB:33.3 } atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } ::sumAvg: 2.825 atom: 1139 105K-HB2 B 1.76 ambi=2 { CB:33.3 } atom: 1725 159I-HD1 D1 0.85 ambi=1 { CD1:14.6 } :: atom: 1140 105K-HB3 B 1.82 ambi=2 { CB:33.3 } atom: 1725 159I-HD1 D1 0.85 ambi=1 { CD1:14.6 } ::sumAvg: 4.27 atom: 1143 105K-QD D 1.6 ambi=2 { CD:29.1 } atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } ::sumAvg: 4.76 atom: 1143 105K-QD D 1.6 ambi=2 { CD:29.1 } atom: 1711 158V-HB B 2.17 ambi=1 { CB:32.2 } ::sumAvg: 4.49 atom: 1711 158V-HB B 2.17 ambi=1 { CB:32.2 } atom: 1143 105K-QD D 1.6 ambi=2 { CD:29.1 } ::sumAvg: 4.49 atom: 1162 107A-HA A 4.47 ambi=1 { CA:52.6 } atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } ::sumAvg: 4.935 atom: 1163 107A-HB B 1.43 ambi=1 { CB:18.9 } atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } ::sumAvg: 4.85 atom: 1174 109M-HG2 G 2.3 ambi=2 { CG:36 } atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } :: atom: 1175 109M-HG3 G 2.4 ambi=2 { CG:36 } atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } ::sumAvg: 4.74 atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } ::sumAvg: 4.52 atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } atom: 1153 106T-H N 7.31 ambi=1 { N:110.1 } ::sumAvg: 4.235 atom: 1154 106T-HA A 4.63 ambi=1 { CA:58.4 } atom: 1163 107A-HB B 1.43 ambi=1 { CB:18.9 } ::sumAvg: 4.24 atom: 1154 106T-HA A 4.63 ambi=1 { CA:58.4 } atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } :: atom: 1154 106T-HA A 4.63 ambi=1 { CA:58.4 } atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } ::sumAvg: 3.065 atom: 1154 106T-HA A 4.63 ambi=1 { CA:58.4 } atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } ::sumAvg: 3.685 atom: 1155 106T-HB B 4.2 ambi=1 { CB:68.6 } atom: 1163 107A-HB B 1.43 ambi=1 { CB:18.9 } ::sumAvg: 4.54 atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } atom: 1155 106T-HB B 4.2 ambi=1 { CB:68.6 } ::sumAvg: 4.08 atom: 1610 149E-HB2 B 0.27 ambi=2 { CB:29.2 } atom: 1155 106T-HB B 4.2 ambi=1 { CB:68.6 } :: atom: 1611 149E-HB3 B 0.96 ambi=2 { CB:29.2 } atom: 1155 106T-HB B 4.2 ambi=1 { CB:68.6 } ::sumAvg: 4.875 atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } atom: 1162 107A-HA A 4.47 ambi=1 { CA:52.6 } ::sumAvg: 4.53 atom: 1162 107A-HA A 4.47 ambi=1 { CA:52.6 } atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } ::sumAvg: 4.53 atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } atom: 1167 108K-H N 8.32 ambi=1 { N:119.1 } ::sumAvg: 4.295 atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } atom: 1169 108K-QB B 2 ambi=2 { CB:29 } ::sumAvg: 4.82 atom: 1169 108K-QB B 2 ambi=2 { CB:29 } atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } ::sumAvg: 4.82 atom: 1174 109M-HG2 G 2.3 ambi=2 { CG:36 } atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } :: atom: 1175 109M-HG3 G 2.4 ambi=2 { CG:36 } atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } ::sumAvg: 4.325 atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } ::sumAvg: 4.93 atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } atom: 1610 149E-HB2 B 0.27 ambi=2 { CB:29.2 } ::sumAvg: 4.25 atom: 1610 149E-HB2 B 0.27 ambi=2 { CB:29.2 } atom: 1156 106T-HG2 G2 1.17 ambi=1 { CG2:20.7 } ::sumAvg: 4.25 atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } atom: 1161 107A-H N 8.73 ambi=1 { N:128.2 } ::sumAvg: 4.885 atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } atom: 1161 107A-H N 8.73 ambi=1 { N:128.2 } :: atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } atom: 1161 107A-H N 8.73 ambi=1 { N:128.2 } ::sumAvg: 3.605 atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } atom: 1161 107A-H N 8.73 ambi=1 { N:128.2 } ::sumAvg: 4.86 atom: 1162 107A-HA A 4.47 ambi=1 { CA:52.6 } atom: 1167 108K-H N 8.32 ambi=1 { N:119.1 } ::sumAvg: 2.9 atom: 1162 107A-HA A 4.47 ambi=1 { CA:52.6 } atom: 1168 108K-HA A 4 ambi=1 { CA:56.2 } ::sumAvg: 4.495 atom: 1168 108K-HA A 4 ambi=1 { CA:56.2 } atom: 1162 107A-HA A 4.47 ambi=1 { CA:52.6 } ::sumAvg: 4.495 atom: 1162 107A-HA A 4.47 ambi=1 { CA:52.6 } atom: 1169 108K-QB B 2 ambi=2 { CB:29 } ::sumAvg: 4.92 atom: 1169 108K-QB B 2 ambi=2 { CB:29 } atom: 1162 107A-HA A 4.47 ambi=1 { CA:52.6 } ::sumAvg: 4.92 atom: 1163 107A-HB B 1.43 ambi=1 { CB:18.9 } atom: 1167 108K-H N 8.32 ambi=1 { N:119.1 } ::sumAvg: 2.705 atom: 1163 107A-HB B 1.43 ambi=1 { CB:18.9 } atom: 1168 108K-HA A 4 ambi=1 { CA:56.2 } ::sumAvg: 4.135 atom: 1168 108K-HA A 4 ambi=1 { CA:56.2 } atom: 1163 107A-HB B 1.43 ambi=1 { CB:18.9 } ::sumAvg: 4.135 atom: 1163 107A-HB B 1.43 ambi=1 { CB:18.9 } atom: 1169 108K-QB B 2 ambi=2 { CB:29 } ::sumAvg: 4.07 atom: 1169 108K-QB B 2 ambi=2 { CB:29 } atom: 1163 107A-HB B 1.43 ambi=1 { CB:18.9 } ::sumAvg: 4.07 atom: 1163 107A-HB B 1.43 ambi=1 { CB:18.9 } atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } ::sumAvg: 4.715 atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } atom: 1163 107A-HB B 1.43 ambi=1 { CB:18.9 } ::sumAvg: 4.715 atom: 1163 107A-HB B 1.43 ambi=1 { CB:18.9 } atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } :: atom: 1163 107A-HB B 1.43 ambi=1 { CB:18.9 } atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } ::sumAvg: 4.515 atom: 1163 107A-HB B 1.43 ambi=1 { CB:18.9 } atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } ::sumAvg: 4.985 atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } atom: 1163 107A-HB B 1.43 ambi=1 { CB:18.9 } ::sumAvg: 4.985 atom: 1168 108K-HA A 4 ambi=1 { CA:56.2 } atom: 1167 108K-H N 8.32 ambi=1 { N:119.1 } ::sumAvg: 2.61 atom: 1169 108K-QB B 2 ambi=2 { CB:29 } atom: 1167 108K-H N 8.32 ambi=1 { N:119.1 } ::sumAvg: 2.795 atom: 1174 109M-HG2 G 2.3 ambi=2 { CG:36 } atom: 1167 108K-H N 8.32 ambi=1 { N:119.1 } :: atom: 1175 109M-HG3 G 2.4 ambi=2 { CG:36 } atom: 1167 108K-H N 8.32 ambi=1 { N:119.1 } ::sumAvg: 4.965 atom: 1168 108K-HA A 4 ambi=1 { CA:56.2 } atom: 1169 108K-QB B 2 ambi=2 { CB:29 } ::sumAvg: 2.365 atom: 1169 108K-QB B 2 ambi=2 { CB:29 } atom: 1175 109M-HG3 G 2.4 ambi=2 { CG:36 } ::sumAvg: 4.785 atom: 1174 109M-HG2 G 2.3 ambi=2 { CG:36 } atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } :: atom: 1175 109M-HG3 G 2.4 ambi=2 { CG:36 } atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } ::sumAvg: 2.38 atom: 1174 109M-HG2 G 2.3 ambi=2 { CG:36 } atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } :: atom: 1175 109M-HG3 G 2.4 ambi=2 { CG:36 } atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } ::sumAvg: 4.27 atom: 1174 109M-HG2 G 2.3 ambi=2 { CG:36 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } :: atom: 1175 109M-HG3 G 2.4 ambi=2 { CG:36 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } ::sumAvg: 4.71 atom: 1174 109M-HG2 G 2.3 ambi=2 { CG:36 } atom: 1567 145W-HZ2 Z2 7.16 ambi=1 { CZ2:113.9 } :: atom: 1175 109M-HG3 G 2.4 ambi=2 { CG:36 } atom: 1567 145W-HZ2 Z2 7.16 ambi=1 { CZ2:113.9 } ::sumAvg: 4.8 atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } atom: 1215 114K-H N 7 ambi=1 { N:118.4 } ::sumAvg: 4.45 atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } ::sumAvg: 4.61 atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } atom: 1233 115I-HB B 0.37 ambi=1 { CB:37.5 } ::sumAvg: 4.63 atom: 1233 115I-HB B 0.37 ambi=1 { CB:37.5 } atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } ::sumAvg: 4.63 atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } :: atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } ::sumAvg: 4.65 atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } atom: 1244 116C-H N 7.71 ambi=1 { N:121.7 } ::sumAvg: 4.125 atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } ::sumAvg: 4.81 atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } atom: 1176 109M-HE E 1.89 ambi=1 { CE:18 } ::sumAvg: 4.81 atom: 1179 110Y-HA A 4.86 ambi=1 { CA:53.1 } atom: 1184 110Y-QE E 6.74 ambi=3 { CE1:117.4 } ::sumAvg: 4.905 atom: 1184 110Y-QE E 6.74 ambi=3 { CE1:117.4 } atom: 1179 110Y-HA A 4.86 ambi=1 { CA:53.1 } ::sumAvg: 4.905 atom: 1179 110Y-HA A 4.86 ambi=1 { CA:53.1 } atom: 1193 111R-HA A 4.25 ambi=1 { CA:57.4 } ::sumAvg: 4.45 atom: 1193 111R-HA A 4.25 ambi=1 { CA:57.4 } atom: 1179 110Y-HA A 4.86 ambi=1 { CA:53.1 } ::sumAvg: 4.45 atom: 1179 110Y-HA A 4.86 ambi=1 { CA:53.1 } atom: 1194 111R-QB B 1.79 ambi=2 { CB:30.5 } ::sumAvg: 4.705 atom: 1194 111R-QB B 1.79 ambi=2 { CB:30.5 } atom: 1179 110Y-HA A 4.86 ambi=1 { CA:53.1 } ::sumAvg: 4.705 atom: 1180 110Y-HB2 B 2.84 ambi=2 { CB:39.5 } atom: 1184 110Y-QE E 6.74 ambi=3 { CE1:117.4 } :: atom: 1181 110Y-HB3 B 3.08 ambi=2 { CB:39.5 } atom: 1184 110Y-QE E 6.74 ambi=3 { CE1:117.4 } ::sumAvg: 4.455 atom: 1180 110Y-HB2 B 2.84 ambi=2 { CB:39.5 } atom: 1194 111R-QB B 1.79 ambi=2 { CB:30.5 } :: atom: 1181 110Y-HB3 B 3.08 ambi=2 { CB:39.5 } atom: 1194 111R-QB B 1.79 ambi=2 { CB:30.5 } ::sumAvg: 4.61 atom: 1194 111R-QB B 1.79 ambi=2 { CB:30.5 } atom: 1180 110Y-HB2 B 2.84 ambi=2 { CB:39.5 } :: atom: 1194 111R-QB B 1.79 ambi=2 { CB:30.5 } atom: 1181 110Y-HB3 B 3.08 ambi=2 { CB:39.5 } ::sumAvg: 4.61 atom: 1180 110Y-HB2 B 2.84 ambi=2 { CB:39.5 } atom: 1196 111R-HG2 G 1.58 ambi=2 { CG:27.1 } :: atom: 1180 110Y-HB2 B 2.84 ambi=2 { CB:39.5 } atom: 1197 111R-HG3 G 1.68 ambi=2 { CG:27.1 } :: atom: 1181 110Y-HB3 B 3.08 ambi=2 { CB:39.5 } atom: 1196 111R-HG2 G 1.58 ambi=2 { CG:27.1 } :: atom: 1181 110Y-HB3 B 3.08 ambi=2 { CB:39.5 } atom: 1197 111R-HG3 G 1.68 ambi=2 { CG:27.1 } ::sumAvg: 4.65 atom: 1194 111R-QB B 1.79 ambi=2 { CB:30.5 } atom: 1182 110Y-QD D 7 ambi=3 { CD1:132.5 } ::sumAvg: 4.15 atom: 1196 111R-HG2 G 1.58 ambi=2 { CG:27.1 } atom: 1182 110Y-QD D 7 ambi=3 { CD1:132.5 } :: atom: 1197 111R-HG3 G 1.68 ambi=2 { CG:27.1 } atom: 1182 110Y-QD D 7 ambi=3 { CD1:132.5 } ::sumAvg: 4.855 atom: 1182 110Y-QD D 7 ambi=3 { CD1:132.5 } atom: 1244 116C-H N 7.71 ambi=1 { N:121.7 } ::sumAvg: 4.955 atom: 1182 110Y-QD D 7 ambi=3 { CD1:132.5 } atom: 1245 116C-HA A 4.44 ambi=1 { CA:57.6 } ::sumAvg: 4.965 atom: 1245 116C-HA A 4.44 ambi=1 { CA:57.6 } atom: 1182 110Y-QD D 7 ambi=3 { CD1:132.5 } ::sumAvg: 4.965 atom: 1182 110Y-QD D 7 ambi=3 { CD1:132.5 } atom: 1246 116C-HB2 B 2.23 ambi=2 { CB:27 } :: atom: 1182 110Y-QD D 7 ambi=3 { CD1:132.5 } atom: 1247 116C-HB3 B 2.78 ambi=2 { CB:27 } ::sumAvg: 3.9 atom: 1246 116C-HB2 B 2.23 ambi=2 { CB:27 } atom: 1182 110Y-QD D 7 ambi=3 { CD1:132.5 } :: atom: 1247 116C-HB3 B 2.78 ambi=2 { CB:27 } atom: 1182 110Y-QD D 7 ambi=3 { CD1:132.5 } ::sumAvg: 3.9 atom: 1245 116C-HA A 4.44 ambi=1 { CA:57.6 } atom: 1184 110Y-QE E 6.74 ambi=3 { CE1:117.4 } ::sumAvg: 4.03 atom: 1184 110Y-QE E 6.74 ambi=3 { CE1:117.4 } atom: 1246 116C-HB2 B 2.23 ambi=2 { CB:27 } :: atom: 1184 110Y-QE E 6.74 ambi=3 { CE1:117.4 } atom: 1247 116C-HB3 B 2.78 ambi=2 { CB:27 } ::sumAvg: 4.87 atom: 1246 116C-HB2 B 2.23 ambi=2 { CB:27 } atom: 1184 110Y-QE E 6.74 ambi=3 { CE1:117.4 } :: atom: 1247 116C-HB3 B 2.78 ambi=2 { CB:27 } atom: 1184 110Y-QE E 6.74 ambi=3 { CE1:117.4 } ::sumAvg: 4.87 atom: 1217 114K-HB2 B 1.25 ambi=2 { CB:32.9 } atom: 1192 111R-H N 8.4 ambi=1 { N:120.9 } :: atom: 1218 114K-HB3 B 1.47 ambi=2 { CB:32.9 } atom: 1192 111R-H N 8.4 ambi=1 { N:120.9 } ::sumAvg: 4.6 atom: 1193 111R-HA A 4.25 ambi=1 { CA:57.4 } atom: 1210 113G-H N 8.15 ambi=1 { N:107.3 } ::sumAvg: 4.835 atom: 1206 112G-HA2 A 4.1 ambi=2 { CA:45.5 } atom: 1194 111R-QB B 1.79 ambi=2 { CB:30.5 } :: atom: 1207 112G-HA3 A 3.69 ambi=2 { CA:45.5 } atom: 1194 111R-QB B 1.79 ambi=2 { CB:30.5 } ::sumAvg: 4.255 atom: 1194 111R-QB B 1.79 ambi=2 { CB:30.5 } atom: 1217 114K-HB2 B 1.25 ambi=2 { CB:32.9 } ::sumAvg: 4.76 atom: 1217 114K-HB2 B 1.25 ambi=2 { CB:32.9 } atom: 1194 111R-QB B 1.79 ambi=2 { CB:30.5 } ::sumAvg: 4.76 atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } atom: 1205 112G-H N 8.98 ambi=1 { N:113.5 } ::sumAvg: 4.485 atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } atom: 1210 113G-H N 8.15 ambi=1 { N:107.3 } ::sumAvg: 4.855 atom: 1217 114K-HB2 B 1.25 ambi=2 { CB:32.9 } atom: 1210 113G-H N 8.15 ambi=1 { N:107.3 } :: atom: 1218 114K-HB3 B 1.47 ambi=2 { CB:32.9 } atom: 1210 113G-H N 8.15 ambi=1 { N:107.3 } ::sumAvg: 4.705 atom: 1219 114K-HG2 G 1.04 ambi=2 { CG:25.6 } atom: 1210 113G-H N 8.15 ambi=1 { N:107.3 } :: atom: 1220 114K-HG3 G 1.23 ambi=2 { CG:25.6 } atom: 1210 113G-H N 8.15 ambi=1 { N:107.3 } ::sumAvg: 4.425 atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } ::sumAvg: 4 atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } ::sumAvg: 4 atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } atom: 1217 114K-HB2 B 1.25 ambi=2 { CB:32.9 } :: atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } atom: 1218 114K-HB3 B 1.47 ambi=2 { CB:32.9 } ::sumAvg: 4.62 atom: 1217 114K-HB2 B 1.25 ambi=2 { CB:32.9 } atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } :: atom: 1218 114K-HB3 B 1.47 ambi=2 { CB:32.9 } atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } ::sumAvg: 4.62 atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } atom: 1219 114K-HG2 G 1.04 ambi=2 { CG:25.6 } :: atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } atom: 1220 114K-HG3 G 1.23 ambi=2 { CG:25.6 } ::sumAvg: 4.92 atom: 1219 114K-HG2 G 1.04 ambi=2 { CG:25.6 } atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } :: atom: 1220 114K-HG3 G 1.23 ambi=2 { CG:25.6 } atom: 1211 113G-QA A 3.93 ambi=2 { CA:45.6 } ::sumAvg: 4.92 atom: 1223 114K-QE E 2.91 ambi=2 { CE:41.8 } atom: 1215 114K-H N 7 ambi=1 { N:118.4 } ::sumAvg: 4.79 atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } ::sumAvg: 4.4 atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } ::sumAvg: 4.4 atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } :: atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } ::sumAvg: 3.995 atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } :: atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } ::sumAvg: 3.995 atom: 1216 114K-HA A 4.58 ambi=1 { CA:55.1 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } ::sumAvg: 4.43 atom: 1217 114K-HB2 B 1.25 ambi=2 { CB:32.9 } atom: 1223 114K-QE E 2.91 ambi=2 { CE:41.8 } :: atom: 1218 114K-HB3 B 1.47 ambi=2 { CB:32.9 } atom: 1223 114K-QE E 2.91 ambi=2 { CE:41.8 } ::sumAvg: 3.14 atom: 1217 114K-HB2 B 1.25 ambi=2 { CB:32.9 } atom: 1231 115I-H N 7.91 ambi=1 { N:117.1 } :: atom: 1218 114K-HB3 B 1.47 ambi=2 { CB:32.9 } atom: 1231 115I-H N 7.91 ambi=1 { N:117.1 } ::sumAvg: 3.315 atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } atom: 1217 114K-HB2 B 1.25 ambi=2 { CB:32.9 } :: atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } atom: 1218 114K-HB3 B 1.47 ambi=2 { CB:32.9 } ::sumAvg: 4.745 atom: 1217 114K-HB2 B 1.25 ambi=2 { CB:32.9 } atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } :: atom: 1217 114K-HB2 B 1.25 ambi=2 { CB:32.9 } atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } :: atom: 1218 114K-HB3 B 1.47 ambi=2 { CB:32.9 } atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } :: atom: 1218 114K-HB3 B 1.47 ambi=2 { CB:32.9 } atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } ::sumAvg: 4.815 atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } atom: 1217 114K-HB2 B 1.25 ambi=2 { CB:32.9 } :: atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } atom: 1217 114K-HB2 B 1.25 ambi=2 { CB:32.9 } :: atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } atom: 1218 114K-HB3 B 1.47 ambi=2 { CB:32.9 } :: atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } atom: 1218 114K-HB3 B 1.47 ambi=2 { CB:32.9 } ::sumAvg: 4.815 atom: 1217 114K-HB2 B 1.25 ambi=2 { CB:32.9 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } :: atom: 1218 114K-HB3 B 1.47 ambi=2 { CB:32.9 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } ::sumAvg: 4.98 atom: 1219 114K-HG2 G 1.04 ambi=2 { CG:25.6 } atom: 1231 115I-H N 7.91 ambi=1 { N:117.1 } :: atom: 1220 114K-HG3 G 1.23 ambi=2 { CG:25.6 } atom: 1231 115I-H N 7.91 ambi=1 { N:117.1 } ::sumAvg: 3.96 atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } :: atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } ::sumAvg: 3.09 atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } atom: 1245 116C-HA A 4.44 ambi=1 { CA:57.6 } ::sumAvg: 4.35 atom: 1245 116C-HA A 4.44 ambi=1 { CA:57.6 } atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } ::sumAvg: 4.35 atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } atom: 1246 116C-HB2 B 2.23 ambi=2 { CB:27 } :: atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } atom: 1247 116C-HB3 B 2.78 ambi=2 { CB:27 } ::sumAvg: 4.275 atom: 1246 116C-HB2 B 2.23 ambi=2 { CB:27 } atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } :: atom: 1247 116C-HB3 B 2.78 ambi=2 { CB:27 } atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } ::sumAvg: 4.275 atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } ::sumAvg: 4.71 atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } atom: 1567 145W-HZ2 Z2 7.16 ambi=1 { CZ2:113.9 } ::sumAvg: 3.755 atom: 1567 145W-HZ2 Z2 7.16 ambi=1 { CZ2:113.9 } atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } ::sumAvg: 3.755 atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } atom: 1569 145W-HH2 H2 6.62 ambi=1 { CH2:122.7 } ::sumAvg: 4.93 atom: 1569 145W-HH2 H2 6.62 ambi=1 { CH2:122.7 } atom: 1232 115I-HA A 3.77 ambi=1 { CA:61.9 } ::sumAvg: 4.93 atom: 1233 115I-HB B 0.37 ambi=1 { CB:37.5 } atom: 1245 116C-HA A 4.44 ambi=1 { CA:57.6 } ::sumAvg: 4.89 atom: 1245 116C-HA A 4.44 ambi=1 { CA:57.6 } atom: 1233 115I-HB B 0.37 ambi=1 { CB:37.5 } ::sumAvg: 4.89 atom: 1233 115I-HB B 0.37 ambi=1 { CB:37.5 } atom: 1536 142L-HD1 D1 0.87 ambi=2 { CD1:23 } :: atom: 1233 115I-HB B 0.37 ambi=1 { CB:37.5 } atom: 1537 142L-HD2 D2 1.16 ambi=2 { CD2:27.2 } ::sumAvg: 4.455 atom: 1233 115I-HB B 0.37 ambi=1 { CB:37.5 } atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } :: atom: 1233 115I-HB B 0.37 ambi=1 { CB:37.5 } atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } ::sumAvg: 4.85 atom: 1233 115I-HB B 0.37 ambi=1 { CB:37.5 } atom: 1564 145W-HD1 D1 7.36 ambi=1 { CD1:127 } ::sumAvg: 4.81 atom: 1233 115I-HB B 0.37 ambi=1 { CB:37.5 } atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } ::sumAvg: 4.68 atom: 1233 115I-HB B 0.37 ambi=1 { CB:37.5 } atom: 1567 145W-HZ2 Z2 7.16 ambi=1 { CZ2:113.9 } ::sumAvg: 4.66 atom: 1567 145W-HZ2 Z2 7.16 ambi=1 { CZ2:113.9 } atom: 1233 115I-HB B 0.37 ambi=1 { CB:37.5 } ::sumAvg: 4.66 atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } atom: 1244 116C-H N 7.71 ambi=1 { N:121.7 } :: atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } atom: 1244 116C-H N 7.71 ambi=1 { N:121.7 } ::sumAvg: 3.885 atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } atom: 1255 117L-HG G 1.35 ambi=1 { CG:26.3 } :: atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } atom: 1255 117L-HG G 1.35 ambi=1 { CG:26.3 } ::sumAvg: 4.275 atom: 1255 117L-HG G 1.35 ambi=1 { CG:26.3 } atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } :: atom: 1255 117L-HG G 1.35 ambi=1 { CG:26.3 } atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } ::sumAvg: 4.275 atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } :: atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } ::sumAvg: 3.69 atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } :: atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } ::sumAvg: 3.69 atom: 1234 115I-HG12 G1 0.57 ambi=2 { CG1:24.8 } atom: 1537 142L-HD2 D2 1.16 ambi=2 { CD2:27.2 } :: atom: 1235 115I-HG13 G1 0.7 ambi=2 { CG1:24.8 } atom: 1537 142L-HD2 D2 1.16 ambi=2 { CD2:27.2 } ::sumAvg: 3.99 atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } atom: 1245 116C-HA A 4.44 ambi=1 { CA:57.6 } ::sumAvg: 4.74 atom: 1245 116C-HA A 4.44 ambi=1 { CA:57.6 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } ::sumAvg: 4.74 atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } atom: 1246 116C-HB2 B 2.23 ambi=2 { CB:27 } :: atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } atom: 1247 116C-HB3 B 2.78 ambi=2 { CB:27 } ::sumAvg: 4.895 atom: 1246 116C-HB2 B 2.23 ambi=2 { CB:27 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } :: atom: 1247 116C-HB3 B 2.78 ambi=2 { CB:27 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } ::sumAvg: 4.895 atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } atom: 1251 117L-H N 8.42 ambi=1 { N:126.2 } ::sumAvg: 4.995 atom: 1255 117L-HG G 1.35 ambi=1 { CG:26.3 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } ::sumAvg: 4.92 atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } atom: 1532 142L-HA A 4.08 ambi=1 { CA:57.9 } ::sumAvg: 4.455 atom: 1532 142L-HA A 4.08 ambi=1 { CA:57.9 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } ::sumAvg: 4.455 atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } :: atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } ::sumAvg: 4.43 atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } :: atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } ::sumAvg: 4.43 atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } ::sumAvg: 4.415 atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } atom: 1566 145W-HE3 E3 7.08 ambi=1 { CE3:119.6 } ::sumAvg: 3.975 atom: 1566 145W-HE3 E3 7.08 ambi=1 { CE3:119.6 } atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } ::sumAvg: 3.975 atom: 1236 115I-HG2 G2 -0.36 ambi=1 { CG2:17 } atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } ::sumAvg: 3.7 atom: 1252 117L-HA A 4.45 ambi=1 { CA:54.2 } atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } ::sumAvg: 4.9 atom: 1255 117L-HG G 1.35 ambi=1 { CG:26.3 } atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } ::sumAvg: 4 atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } ::sumAvg: 4.275 atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } ::sumAvg: 4.575 atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } ::sumAvg: 4.39 atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } :: atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } ::sumAvg: 3.1 atom: 1535 142L-HG G 1.88 ambi=1 { CG:27 } atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } ::sumAvg: 4.685 atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } ::sumAvg: 4.845 atom: 1566 145W-HE3 E3 7.08 ambi=1 { CE3:119.6 } atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } ::sumAvg: 3.765 atom: 1567 145W-HZ2 Z2 7.16 ambi=1 { CZ2:113.9 } atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } ::sumAvg: 4.77 atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } ::sumAvg: 4.435 atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } ::sumAvg: 4.435 atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } atom: 1569 145W-HH2 H2 6.62 ambi=1 { CH2:122.7 } ::sumAvg: 4.85 atom: 1569 145W-HH2 H2 6.62 ambi=1 { CH2:122.7 } atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } ::sumAvg: 4.85 atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } atom: 1583 146L-HG G 2.08 ambi=1 { CG:26.8 } ::sumAvg: 4.84 atom: 1583 146L-HG G 2.08 ambi=1 { CG:26.8 } atom: 1237 115I-HD1 D1 -0.19 ambi=1 { CD1:13.5 } ::sumAvg: 4.84 atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } atom: 1244 116C-H N 7.71 ambi=1 { N:121.7 } :: atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } atom: 1244 116C-H N 7.71 ambi=1 { N:121.7 } ::sumAvg: 4.735 atom: 1567 145W-HZ2 Z2 7.16 ambi=1 { CZ2:113.9 } atom: 1244 116C-H N 7.71 ambi=1 { N:121.7 } ::sumAvg: 3.9 atom: 1245 116C-HA A 4.44 ambi=1 { CA:57.6 } atom: 1253 117L-HB2 B 1.43 ambi=2 { CB:41.7 } :: atom: 1245 116C-HA A 4.44 ambi=1 { CA:57.6 } atom: 1254 117L-HB3 B 1.68 ambi=2 { CB:41.7 } ::sumAvg: 4.45 atom: 1245 116C-HA A 4.44 ambi=1 { CA:57.6 } atom: 1255 117L-HG G 1.35 ambi=1 { CG:26.3 } ::sumAvg: 4.725 atom: 1245 116C-HA A 4.44 ambi=1 { CA:57.6 } atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } :: atom: 1245 116C-HA A 4.44 ambi=1 { CA:57.6 } atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } ::sumAvg: 4.055 atom: 1252 117L-HA A 4.45 ambi=1 { CA:54.2 } atom: 1246 116C-HB2 B 2.23 ambi=2 { CB:27 } :: atom: 1252 117L-HA A 4.45 ambi=1 { CA:54.2 } atom: 1247 116C-HB3 B 2.78 ambi=2 { CB:27 } ::sumAvg: 4.89 atom: 1246 116C-HB2 B 2.23 ambi=2 { CB:27 } atom: 1564 145W-HD1 D1 7.36 ambi=1 { CD1:127 } :: atom: 1247 116C-HB3 B 2.78 ambi=2 { CB:27 } atom: 1564 145W-HD1 D1 7.36 ambi=1 { CD1:127 } ::sumAvg: 4.45 atom: 1564 145W-HD1 D1 7.36 ambi=1 { CD1:127 } atom: 1246 116C-HB2 B 2.23 ambi=2 { CB:27 } :: atom: 1564 145W-HD1 D1 7.36 ambi=1 { CD1:127 } atom: 1247 116C-HB3 B 2.78 ambi=2 { CB:27 } ::sumAvg: 4.45 atom: 1246 116C-HB2 B 2.23 ambi=2 { CB:27 } atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } :: atom: 1247 116C-HB3 B 2.78 ambi=2 { CB:27 } atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } ::sumAvg: 4.04 atom: 1252 117L-HA A 4.45 ambi=1 { CA:54.2 } atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } :: atom: 1252 117L-HA A 4.45 ambi=1 { CA:54.2 } atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } ::sumAvg: 4.87 atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } atom: 1252 117L-HA A 4.45 ambi=1 { CA:54.2 } :: atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } atom: 1252 117L-HA A 4.45 ambi=1 { CA:54.2 } ::sumAvg: 4.87 atom: 1252 117L-HA A 4.45 ambi=1 { CA:54.2 } atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } :: atom: 1252 117L-HA A 4.45 ambi=1 { CA:54.2 } atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } ::sumAvg: 4.005 atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } atom: 1252 117L-HA A 4.45 ambi=1 { CA:54.2 } :: atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } atom: 1252 117L-HA A 4.45 ambi=1 { CA:54.2 } ::sumAvg: 4.005 atom: 1252 117L-HA A 4.45 ambi=1 { CA:54.2 } atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } ::sumAvg: 4.49 atom: 1253 117L-HB2 B 1.43 ambi=2 { CB:41.7 } atom: 1265 118T-HA A 4.28 ambi=1 { CA:62.4 } :: atom: 1254 117L-HB3 B 1.68 ambi=2 { CB:41.7 } atom: 1265 118T-HA A 4.28 ambi=1 { CA:62.4 } ::sumAvg: 4.745 atom: 1253 117L-HB2 B 1.43 ambi=2 { CB:41.7 } atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } :: atom: 1253 117L-HB2 B 1.43 ambi=2 { CB:41.7 } atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } :: atom: 1254 117L-HB3 B 1.68 ambi=2 { CB:41.7 } atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } :: atom: 1254 117L-HB3 B 1.68 ambi=2 { CB:41.7 } atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } ::sumAvg: 2.865 atom: 1253 117L-HB2 B 1.43 ambi=2 { CB:41.7 } atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } :: atom: 1254 117L-HB3 B 1.68 ambi=2 { CB:41.7 } atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } ::sumAvg: 4.515 atom: 1253 117L-HB2 B 1.43 ambi=2 { CB:41.7 } atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } :: atom: 1253 117L-HB2 B 1.43 ambi=2 { CB:41.7 } atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } :: atom: 1254 117L-HB3 B 1.68 ambi=2 { CB:41.7 } atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } :: atom: 1254 117L-HB3 B 1.68 ambi=2 { CB:41.7 } atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } ::sumAvg: 4.925 atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1253 117L-HB2 B 1.43 ambi=2 { CB:41.7 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1253 117L-HB2 B 1.43 ambi=2 { CB:41.7 } :: atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1254 117L-HB3 B 1.68 ambi=2 { CB:41.7 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1254 117L-HB3 B 1.68 ambi=2 { CB:41.7 } ::sumAvg: 4.925 atom: 1255 117L-HG G 1.35 ambi=1 { CG:26.3 } atom: 1264 118T-H N 8.22 ambi=1 { N:111.5 } ::sumAvg: 4.58 atom: 1255 117L-HG G 1.35 ambi=1 { CG:26.3 } atom: 1294 121F-QD D 7.05 ambi=3 { CD1:131.7 } ::sumAvg: 4.495 atom: 1294 121F-QD D 7.05 ambi=3 { CD1:131.7 } atom: 1255 117L-HG G 1.35 ambi=1 { CG:26.3 } ::sumAvg: 4.495 atom: 1255 117L-HG G 1.35 ambi=1 { CG:26.3 } atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } ::sumAvg: 4.82 atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } atom: 1255 117L-HG G 1.35 ambi=1 { CG:26.3 } ::sumAvg: 4.82 atom: 1255 117L-HG G 1.35 ambi=1 { CG:26.3 } atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } :: atom: 1255 117L-HG G 1.35 ambi=1 { CG:26.3 } atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } ::sumAvg: 4.49 atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1255 117L-HG G 1.35 ambi=1 { CG:26.3 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1255 117L-HG G 1.35 ambi=1 { CG:26.3 } ::sumAvg: 4.49 atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } :: atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } :: atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } :: atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } ::sumAvg: 3.905 atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } :: atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } ::sumAvg: 2.765 atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } :: atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } ::sumAvg: 2.765 atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } atom: 1308 122K-HA A 3.99 ambi=1 { CA:62.3 } :: atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } atom: 1308 122K-HA A 3.99 ambi=1 { CA:62.3 } ::sumAvg: 4.98 atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } :: atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } ::sumAvg: 4.93 atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } :: atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } :: atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } :: atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } ::sumAvg: 4.32 atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } atom: 1550 144P-HB2 B 1.82 ambi=2 { CB:32.1 } :: atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } atom: 1551 144P-HB3 B 2.44 ambi=2 { CB:32.1 } :: atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } atom: 1550 144P-HB2 B 1.82 ambi=2 { CB:32.1 } :: atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } atom: 1551 144P-HB3 B 2.44 ambi=2 { CB:32.1 } ::sumAvg: 4.985 atom: 1550 144P-HB2 B 1.82 ambi=2 { CB:32.1 } atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } :: atom: 1551 144P-HB3 B 2.44 ambi=2 { CB:32.1 } atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } :: atom: 1550 144P-HB2 B 1.82 ambi=2 { CB:32.1 } atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } :: atom: 1551 144P-HB3 B 2.44 ambi=2 { CB:32.1 } atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } ::sumAvg: 4.985 atom: 1256 117L-HD1 D1 0.13 ambi=2 { CD1:25.2 } atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } :: atom: 1257 117L-HD2 D2 0.33 ambi=2 { CD2:22.6 } atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } ::sumAvg: 4.62 atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } atom: 1264 118T-H N 8.22 ambi=1 { N:111.5 } :: atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } atom: 1264 118T-H N 8.22 ambi=1 { N:111.5 } ::sumAvg: 3.1 atom: 1564 145W-HD1 D1 7.36 ambi=1 { CD1:127 } atom: 1264 118T-H N 8.22 ambi=1 { N:111.5 } ::sumAvg: 4.4 atom: 1265 118T-HA A 4.28 ambi=1 { CA:62.4 } atom: 1274 119D-HB2 B 2.61 ambi=2 { CB:40.2 } :: atom: 1265 118T-HA A 4.28 ambi=1 { CA:62.4 } atom: 1275 119D-HB3 B 2.68 ambi=2 { CB:40.2 } ::sumAvg: 4.695 atom: 1274 119D-HB2 B 2.61 ambi=2 { CB:40.2 } atom: 1265 118T-HA A 4.28 ambi=1 { CA:62.4 } :: atom: 1275 119D-HB3 B 2.68 ambi=2 { CB:40.2 } atom: 1265 118T-HA A 4.28 ambi=1 { CA:62.4 } ::sumAvg: 4.695 atom: 1265 118T-HA A 4.28 ambi=1 { CA:62.4 } atom: 1279 120H-H N 7.93 ambi=1 { N:114.8 } ::sumAvg: 3.96 atom: 1265 118T-HA A 4.28 ambi=1 { CA:62.4 } atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } ::sumAvg: 4.65 atom: 1266 118T-HB B 4.54 ambi=1 { CB:69.5 } atom: 1281 120H-QB B 3.23 ambi=2 { CB:30.4 } ::sumAvg: 4.24 atom: 1266 118T-HB B 4.54 ambi=1 { CB:69.5 } atom: 1283 120H-HD2 D2 7.06 ambi=1 { CD2:120.2 } ::sumAvg: 4.505 atom: 1266 118T-HB B 4.54 ambi=1 { CB:69.5 } atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } :: atom: 1266 118T-HB B 4.54 ambi=1 { CB:69.5 } atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } ::sumAvg: 3.85 atom: 1267 118T-HG2 G2 1.41 ambi=1 { CG2:21.7 } atom: 1274 119D-HB2 B 2.61 ambi=2 { CB:40.2 } :: atom: 1267 118T-HG2 G2 1.41 ambi=1 { CG2:21.7 } atom: 1275 119D-HB3 B 2.68 ambi=2 { CB:40.2 } ::sumAvg: 4.655 atom: 1274 119D-HB2 B 2.61 ambi=2 { CB:40.2 } atom: 1267 118T-HG2 G2 1.41 ambi=1 { CG2:21.7 } :: atom: 1275 119D-HB3 B 2.68 ambi=2 { CB:40.2 } atom: 1267 118T-HG2 G2 1.41 ambi=1 { CG2:21.7 } ::sumAvg: 4.655 atom: 1283 120H-HD2 D2 7.06 ambi=1 { CD2:120.2 } atom: 1267 118T-HG2 G2 1.41 ambi=1 { CG2:21.7 } ::sumAvg: 4.185 atom: 1267 118T-HG2 G2 1.41 ambi=1 { CG2:21.7 } atom: 1564 145W-HD1 D1 7.36 ambi=1 { CD1:127 } ::sumAvg: 4.95 atom: 1267 118T-HG2 G2 1.41 ambi=1 { CG2:21.7 } atom: 1601 148V-HG1 G1 0.75 ambi=2 { CG1:21.1 } :: atom: 1267 118T-HG2 G2 1.41 ambi=1 { CG2:21.7 } atom: 1602 148V-HG2 G2 0.93 ambi=2 { CG2:21.8 } ::sumAvg: 4.88 atom: 1601 148V-HG1 G1 0.75 ambi=2 { CG1:21.1 } atom: 1267 118T-HG2 G2 1.41 ambi=1 { CG2:21.7 } :: atom: 1602 148V-HG2 G2 0.93 ambi=2 { CG2:21.8 } atom: 1267 118T-HG2 G2 1.41 ambi=1 { CG2:21.7 } ::sumAvg: 4.88 atom: 1281 120H-QB B 3.23 ambi=2 { CB:30.4 } atom: 1272 119D-H N 8.77 ambi=1 { N:122 } ::sumAvg: 4.55 atom: 1273 119D-HA A 4.38 ambi=1 { CA:56.8 } atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } :: atom: 1273 119D-HA A 4.38 ambi=1 { CA:56.8 } atom: 1329 123P-HD3 D 3.77 ambi=2 { CD:50.3 } ::sumAvg: 4.41 atom: 1274 119D-HB2 B 2.61 ambi=2 { CB:40.2 } atom: 1279 120H-H N 7.93 ambi=1 { N:114.8 } :: atom: 1275 119D-HB3 B 2.68 ambi=2 { CB:40.2 } atom: 1279 120H-H N 7.93 ambi=1 { N:114.8 } ::sumAvg: 3.635 atom: 1274 119D-HB2 B 2.61 ambi=2 { CB:40.2 } atom: 1280 120H-HA A 4.57 ambi=1 { CA:57.1 } :: atom: 1275 119D-HB3 B 2.68 ambi=2 { CB:40.2 } atom: 1280 120H-HA A 4.57 ambi=1 { CA:57.1 } ::sumAvg: 4.65 atom: 1280 120H-HA A 4.57 ambi=1 { CA:57.1 } atom: 1274 119D-HB2 B 2.61 ambi=2 { CB:40.2 } :: atom: 1280 120H-HA A 4.57 ambi=1 { CA:57.1 } atom: 1275 119D-HB3 B 2.68 ambi=2 { CB:40.2 } ::sumAvg: 4.65 atom: 1283 120H-HD2 D2 7.06 ambi=1 { CD2:120.2 } atom: 1279 120H-H N 7.93 ambi=1 { N:114.8 } ::sumAvg: 4.165 atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } atom: 1279 120H-H N 7.93 ambi=1 { N:114.8 } :: atom: 1329 123P-HD3 D 3.77 ambi=2 { CD:50.3 } atom: 1279 120H-H N 7.93 ambi=1 { N:114.8 } ::sumAvg: 4.24 atom: 1280 120H-HA A 4.57 ambi=1 { CA:57.1 } atom: 1283 120H-HD2 D2 7.06 ambi=1 { CD2:120.2 } ::sumAvg: 4.655 atom: 1280 120H-HA A 4.57 ambi=1 { CA:57.1 } atom: 1284 120H-HE1 E1 8.19 ambi=1 { CE1:136.2 } ::sumAvg: 4.805 atom: 1284 120H-HE1 E1 8.19 ambi=1 { CE1:136.2 } atom: 1280 120H-HA A 4.57 ambi=1 { CA:57.1 } ::sumAvg: 4.805 atom: 1280 120H-HA A 4.57 ambi=1 { CA:57.1 } atom: 1291 121F-HA A 4.07 ambi=1 { CA:62.4 } ::sumAvg: 4.78 atom: 1291 121F-HA A 4.07 ambi=1 { CA:62.4 } atom: 1280 120H-HA A 4.57 ambi=1 { CA:57.1 } ::sumAvg: 4.78 atom: 1280 120H-HA A 4.57 ambi=1 { CA:57.1 } atom: 1307 122K-H N 8.59 ambi=1 { N:118.4 } ::sumAvg: 4.095 atom: 1280 120H-HA A 4.57 ambi=1 { CA:57.1 } atom: 1334 124L-H N 6.93 ambi=1 { N:119.9 } ::sumAvg: 4.23 atom: 1280 120H-HA A 4.57 ambi=1 { CA:57.1 } atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } :: atom: 1280 120H-HA A 4.57 ambi=1 { CA:57.1 } atom: 1337 124L-HB3 B 1.92 ambi=2 { CB:41.9 } ::sumAvg: 4.925 atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } atom: 1280 120H-HA A 4.57 ambi=1 { CA:57.1 } :: atom: 1337 124L-HB3 B 1.92 ambi=2 { CB:41.9 } atom: 1280 120H-HA A 4.57 ambi=1 { CA:57.1 } ::sumAvg: 4.925 atom: 1281 120H-QB B 3.23 ambi=2 { CB:30.4 } atom: 1284 120H-HE1 E1 8.19 ambi=1 { CE1:136.2 } ::sumAvg: 4.445 atom: 1281 120H-QB B 3.23 ambi=2 { CB:30.4 } atom: 1291 121F-HA A 4.07 ambi=1 { CA:62.4 } ::sumAvg: 4.1 atom: 1281 120H-QB B 3.23 ambi=2 { CB:30.4 } atom: 1307 122K-H N 8.59 ambi=1 { N:118.4 } ::sumAvg: 4.96 atom: 1326 123P-HG2 G 1.99 ambi=2 { CG:27.9 } atom: 1281 120H-QB B 3.23 ambi=2 { CB:30.4 } :: atom: 1327 123P-HG3 G 2.12 ambi=2 { CG:27.9 } atom: 1281 120H-QB B 3.23 ambi=2 { CB:30.4 } ::sumAvg: 3.825 atom: 1281 120H-QB B 3.23 ambi=2 { CB:30.4 } atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } :: atom: 1281 120H-QB B 3.23 ambi=2 { CB:30.4 } atom: 1329 123P-HD3 D 3.77 ambi=2 { CD:50.3 } ::sumAvg: 4.26 atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } atom: 1281 120H-QB B 3.23 ambi=2 { CB:30.4 } :: atom: 1329 123P-HD3 D 3.77 ambi=2 { CD:50.3 } atom: 1281 120H-QB B 3.23 ambi=2 { CB:30.4 } ::sumAvg: 4.26 atom: 1281 120H-QB B 3.23 ambi=2 { CB:30.4 } atom: 1334 124L-H N 6.93 ambi=1 { N:119.9 } ::sumAvg: 4.85 atom: 1281 120H-QB B 3.23 ambi=2 { CB:30.4 } atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } :: atom: 1281 120H-QB B 3.23 ambi=2 { CB:30.4 } atom: 1337 124L-HB3 B 1.92 ambi=2 { CB:41.9 } ::sumAvg: 4.3 atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } atom: 1281 120H-QB B 3.23 ambi=2 { CB:30.4 } :: atom: 1337 124L-HB3 B 1.92 ambi=2 { CB:41.9 } atom: 1281 120H-QB B 3.23 ambi=2 { CB:30.4 } ::sumAvg: 4.3 atom: 1281 120H-QB B 3.23 ambi=2 { CB:30.4 } atom: 1339 124L-HD1 D1 0.93 ambi=2 { CD1:23.5 } :: atom: 1281 120H-QB B 3.23 ambi=2 { CB:30.4 } atom: 1340 124L-HD2 D2 1.04 ambi=2 { CD2:26.2 } ::sumAvg: 4.205 atom: 1283 120H-HD2 D2 7.06 ambi=1 { CD2:120.2 } atom: 1284 120H-HE1 E1 8.19 ambi=1 { CE1:136.2 } ::sumAvg: 4.24 atom: 1284 120H-HE1 E1 8.19 ambi=1 { CE1:136.2 } atom: 1283 120H-HD2 D2 7.06 ambi=1 { CD2:120.2 } ::sumAvg: 4.24 atom: 1283 120H-HD2 D2 7.06 ambi=1 { CD2:120.2 } atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } ::sumAvg: 4.83 atom: 1326 123P-HG2 G 1.99 ambi=2 { CG:27.9 } atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } :: atom: 1327 123P-HG3 G 2.12 ambi=2 { CG:27.9 } atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } ::sumAvg: 4.93 atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } :: atom: 1329 123P-HD3 D 3.77 ambi=2 { CD:50.3 } atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } ::sumAvg: 3.505 atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } :: atom: 1337 124L-HB3 B 1.92 ambi=2 { CB:41.9 } atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } ::sumAvg: 4.725 atom: 1339 124L-HD1 D1 0.93 ambi=2 { CD1:23.5 } atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } :: atom: 1340 124L-HD2 D2 1.04 ambi=2 { CD2:26.2 } atom: 1290 121F-H N 7.96 ambi=1 { N:121.3 } ::sumAvg: 4.93 atom: 1291 121F-HA A 4.07 ambi=1 { CA:62.4 } atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } ::sumAvg: 4.665 atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } atom: 1291 121F-HA A 4.07 ambi=1 { CA:62.4 } ::sumAvg: 4.665 atom: 1291 121F-HA A 4.07 ambi=1 { CA:62.4 } atom: 1326 123P-HG2 G 1.99 ambi=2 { CG:27.9 } :: atom: 1291 121F-HA A 4.07 ambi=1 { CA:62.4 } atom: 1327 123P-HG3 G 2.12 ambi=2 { CG:27.9 } ::sumAvg: 4.945 atom: 1291 121F-HA A 4.07 ambi=1 { CA:62.4 } atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } ::sumAvg: 4.19 atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } atom: 1291 121F-HA A 4.07 ambi=1 { CA:62.4 } ::sumAvg: 4.19 atom: 1291 121F-HA A 4.07 ambi=1 { CA:62.4 } atom: 1338 124L-HG G 1.53 ambi=1 { CG:27 } ::sumAvg: 4.45 atom: 1338 124L-HG G 1.53 ambi=1 { CG:27 } atom: 1291 121F-HA A 4.07 ambi=1 { CA:62.4 } ::sumAvg: 4.45 atom: 1291 121F-HA A 4.07 ambi=1 { CA:62.4 } atom: 1347 125W-H N 8.49 ambi=1 { N:120.6 } ::sumAvg: 3.935 atom: 1349 125W-HB2 B 2.49 ambi=1 { CB:27.6 } atom: 1291 121F-HA A 4.07 ambi=1 { CA:62.4 } ::sumAvg: 4.75 atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } atom: 1308 122K-HA A 3.99 ambi=1 { CA:62.3 } :: atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } atom: 1308 122K-HA A 3.99 ambi=1 { CA:62.3 } ::sumAvg: 4.155 atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } atom: 1309 122K-HB2 B 1.96 ambi=1 { CB:29.7 } :: atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } atom: 1309 122K-HB2 B 1.96 ambi=1 { CB:29.7 } ::sumAvg: 4.47 atom: 1309 122K-HB2 B 1.96 ambi=1 { CB:29.7 } atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } :: atom: 1309 122K-HB2 B 1.96 ambi=1 { CB:29.7 } atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } ::sumAvg: 4.47 atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } :: atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } atom: 1329 123P-HD3 D 3.77 ambi=2 { CD:50.3 } :: atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } :: atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } atom: 1329 123P-HD3 D 3.77 ambi=2 { CD:50.3 } ::sumAvg: 4.59 atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } :: atom: 1329 123P-HD3 D 3.77 ambi=2 { CD:50.3 } atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } :: atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } :: atom: 1329 123P-HD3 D 3.77 ambi=2 { CD:50.3 } atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } ::sumAvg: 4.59 atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } :: atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } atom: 1337 124L-HB3 B 1.92 ambi=2 { CB:41.9 } :: atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } :: atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } atom: 1337 124L-HB3 B 1.92 ambi=2 { CB:41.9 } ::sumAvg: 4.715 atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } :: atom: 1337 124L-HB3 B 1.92 ambi=2 { CB:41.9 } atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } :: atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } :: atom: 1337 124L-HB3 B 1.92 ambi=2 { CB:41.9 } atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } ::sumAvg: 4.715 atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } atom: 1339 124L-HD1 D1 0.93 ambi=2 { CD1:23.5 } :: atom: 1292 121F-HB2 B 3.1 ambi=2 { CB:39.5 } atom: 1340 124L-HD2 D2 1.04 ambi=2 { CD2:26.2 } :: atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } atom: 1339 124L-HD1 D1 0.93 ambi=2 { CD1:23.5 } :: atom: 1293 121F-HB3 B 3.22 ambi=2 { CB:39.5 } atom: 1340 124L-HD2 D2 1.04 ambi=2 { CD2:26.2 } ::sumAvg: 4.41 atom: 1309 122K-HB2 B 1.96 ambi=1 { CB:29.7 } atom: 1294 121F-QD D 7.05 ambi=3 { CD1:131.7 } ::sumAvg: 4.25 atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } atom: 1294 121F-QD D 7.05 ambi=3 { CD1:131.7 } :: atom: 1337 124L-HB3 B 1.92 ambi=2 { CB:41.9 } atom: 1294 121F-QD D 7.05 ambi=3 { CD1:131.7 } ::sumAvg: 4.13 atom: 1349 125W-HB2 B 2.49 ambi=1 { CB:27.6 } atom: 1294 121F-QD D 7.05 ambi=3 { CD1:131.7 } :: atom: 1350 125W-HB3 B 3.07 ambi=1 { CB:27.6 } atom: 1294 121F-QD D 7.05 ambi=3 { CD1:131.7 } ::sumAvg: 3.985 atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } atom: 1308 122K-HA A 3.99 ambi=1 { CA:62.3 } ::sumAvg: 4.345 atom: 1308 122K-HA A 3.99 ambi=1 { CA:62.3 } atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } ::sumAvg: 4.345 atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } atom: 1339 124L-HD1 D1 0.93 ambi=2 { CD1:23.5 } :: atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } atom: 1340 124L-HD2 D2 1.04 ambi=2 { CD2:26.2 } ::sumAvg: 4.345 atom: 1349 125W-HB2 B 2.49 ambi=1 { CB:27.6 } atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } :: atom: 1350 125W-HB3 B 3.07 ambi=1 { CB:27.6 } atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } ::sumAvg: 3.68 atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } atom: 1485 137L-HA A 4.15 ambi=1 { CA:58.4 } ::sumAvg: 3.6 atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } :: atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } ::sumAvg: 4.845 atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } :: atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } ::sumAvg: 4.845 atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } :: atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } ::sumAvg: 4.01 atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } :: atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } ::sumAvg: 4.01 atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } atom: 1518 140L-HD1 D1 0.8 ambi=2 { CD1:26.1 } :: atom: 1296 121F-QE E 6.99 ambi=3 { CE1:129.8 } atom: 1519 140L-HD2 D2 0.92 ambi=2 { CD2:22.7 } ::sumAvg: 4.87 atom: 1298 121F-HZ Z 6.93 ambi=1 { CZ:129.2 } atom: 1349 125W-HB2 B 2.49 ambi=1 { CB:27.6 } ::sumAvg: 4.125 atom: 1298 121F-HZ Z 6.93 ambi=1 { CZ:129.2 } atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } :: atom: 1298 121F-HZ Z 6.93 ambi=1 { CZ:129.2 } atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } ::sumAvg: 3.88 atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } atom: 1298 121F-HZ Z 6.93 ambi=1 { CZ:129.2 } :: atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } atom: 1298 121F-HZ Z 6.93 ambi=1 { CZ:129.2 } ::sumAvg: 3.88 atom: 1298 121F-HZ Z 6.93 ambi=1 { CZ:129.2 } atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } ::sumAvg: 4.86 atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } atom: 1298 121F-HZ Z 6.93 ambi=1 { CZ:129.2 } ::sumAvg: 4.86 atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1298 121F-HZ Z 6.93 ambi=1 { CZ:129.2 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1298 121F-HZ Z 6.93 ambi=1 { CZ:129.2 } ::sumAvg: 4.335 atom: 1326 123P-HG2 G 1.99 ambi=2 { CG:27.9 } atom: 1307 122K-H N 8.59 ambi=1 { N:118.4 } :: atom: 1327 123P-HG3 G 2.12 ambi=2 { CG:27.9 } atom: 1307 122K-H N 8.59 ambi=1 { N:118.4 } ::sumAvg: 4.455 atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } atom: 1307 122K-H N 8.59 ambi=1 { N:118.4 } :: atom: 1337 124L-HB3 B 1.92 ambi=2 { CB:41.9 } atom: 1307 122K-H N 8.59 ambi=1 { N:118.4 } ::sumAvg: 4.825 atom: 1308 122K-HA A 3.99 ambi=1 { CA:62.3 } atom: 1315 122K-QE E 2.99 ambi=2 { CE:41.8 } ::sumAvg: 4.64 atom: 1323 123P-HA A 4.38 ambi=1 { CA:65.5 } atom: 1310 122K-HB3 B 2.04 ambi=1 { CB:29.7 } ::sumAvg: 4.44 atom: 1310 122K-HB3 B 2.04 ambi=1 { CB:29.7 } atom: 1334 124L-H N 6.93 ambi=1 { N:119.9 } ::sumAvg: 4.98 atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } atom: 1311 122K-HG2 G 1.42 ambi=2 { CG:26.5 } :: atom: 1329 123P-HD3 D 3.77 ambi=2 { CD:50.3 } atom: 1311 122K-HG2 G 1.42 ambi=2 { CG:26.5 } :: atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } atom: 1312 122K-HG3 G 1.72 ambi=2 { CG:26.5 } :: atom: 1329 123P-HD3 D 3.77 ambi=2 { CD:50.3 } atom: 1312 122K-HG3 G 1.72 ambi=2 { CG:26.5 } ::sumAvg: 3.66 atom: 1350 125W-HB3 B 3.07 ambi=1 { CB:27.6 } atom: 1311 122K-HG2 G 1.42 ambi=2 { CG:26.5 } :: atom: 1350 125W-HB3 B 3.07 ambi=1 { CB:27.6 } atom: 1312 122K-HG3 G 1.72 ambi=2 { CG:26.5 } ::sumAvg: 4.93 atom: 1313 122K-QD D 1.735 ambi=2 { CD:29.4 } atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } :: atom: 1313 122K-QD D 1.735 ambi=2 { CD:29.4 } atom: 1329 123P-HD3 D 3.77 ambi=2 { CD:50.3 } ::sumAvg: 3.61 atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } atom: 1313 122K-QD D 1.735 ambi=2 { CD:29.4 } :: atom: 1329 123P-HD3 D 3.77 ambi=2 { CD:50.3 } atom: 1313 122K-QD D 1.735 ambi=2 { CD:29.4 } ::sumAvg: 3.61 atom: 1323 123P-HA A 4.38 ambi=1 { CA:65.5 } atom: 1335 124L-HA A 3.95 ambi=1 { CA:57.9 } ::sumAvg: 4.795 atom: 1335 124L-HA A 3.95 ambi=1 { CA:57.9 } atom: 1323 123P-HA A 4.38 ambi=1 { CA:65.5 } ::sumAvg: 4.795 atom: 1323 123P-HA A 4.38 ambi=1 { CA:65.5 } atom: 1347 125W-H N 8.49 ambi=1 { N:120.6 } ::sumAvg: 4.365 atom: 1323 123P-HA A 4.38 ambi=1 { CA:65.5 } atom: 1372 127R-H N 7.5 ambi=1 { N:113.5 } ::sumAvg: 4.485 atom: 1324 123P-HB2 B 1.83 ambi=2 { CB:30.7 } atom: 1335 124L-HA A 3.95 ambi=1 { CA:57.9 } :: atom: 1325 123P-HB3 B 2.29 ambi=2 { CB:30.7 } atom: 1335 124L-HA A 3.95 ambi=1 { CA:57.9 } ::sumAvg: 4.215 atom: 1325 123P-HB3 B 2.29 ambi=2 { CB:30.7 } atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } ::sumAvg: 4.835 atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } atom: 1325 123P-HB3 B 2.29 ambi=2 { CB:30.7 } ::sumAvg: 4.835 atom: 1324 123P-HB2 B 1.83 ambi=2 { CB:30.7 } atom: 1378 127R-QD D 3.11 ambi=2 { CD:43.4 } :: atom: 1325 123P-HB3 B 2.29 ambi=2 { CB:30.7 } atom: 1378 127R-QD D 3.11 ambi=2 { CD:43.4 } ::sumAvg: 4.92 atom: 1326 123P-HG2 G 1.99 ambi=2 { CG:27.9 } atom: 1335 124L-HA A 3.95 ambi=1 { CA:57.9 } :: atom: 1327 123P-HG3 G 2.12 ambi=2 { CG:27.9 } atom: 1335 124L-HA A 3.95 ambi=1 { CA:57.9 } ::sumAvg: 4.325 atom: 1335 124L-HA A 3.95 ambi=1 { CA:57.9 } atom: 1326 123P-HG2 G 1.99 ambi=2 { CG:27.9 } :: atom: 1335 124L-HA A 3.95 ambi=1 { CA:57.9 } atom: 1327 123P-HG3 G 2.12 ambi=2 { CG:27.9 } ::sumAvg: 4.325 atom: 1327 123P-HG3 G 2.12 ambi=2 { CG:27.9 } atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } ::sumAvg: 3.745 atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } atom: 1327 123P-HG3 G 2.12 ambi=2 { CG:27.9 } ::sumAvg: 3.745 atom: 1326 123P-HG2 G 1.99 ambi=2 { CG:27.9 } atom: 1347 125W-H N 8.49 ambi=1 { N:120.6 } :: atom: 1327 123P-HG3 G 2.12 ambi=2 { CG:27.9 } atom: 1347 125W-H N 8.49 ambi=1 { N:120.6 } ::sumAvg: 4.99 atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } :: atom: 1337 124L-HB3 B 1.92 ambi=2 { CB:41.9 } atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } :: atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } atom: 1329 123P-HD3 D 3.77 ambi=2 { CD:50.3 } :: atom: 1337 124L-HB3 B 1.92 ambi=2 { CB:41.9 } atom: 1329 123P-HD3 D 3.77 ambi=2 { CD:50.3 } ::sumAvg: 4.53 atom: 1328 123P-HD2 D 3.64 ambi=2 { CD:50.3 } atom: 1347 125W-H N 8.49 ambi=1 { N:120.6 } :: atom: 1329 123P-HD3 D 3.77 ambi=2 { CD:50.3 } atom: 1347 125W-H N 8.49 ambi=1 { N:120.6 } ::sumAvg: 4.62 atom: 1335 124L-HA A 3.95 ambi=1 { CA:57.9 } atom: 1366 126A-H N 8.33 ambi=1 { N:117.9 } ::sumAvg: 4.545 atom: 1335 124L-HA A 3.95 ambi=1 { CA:57.9 } atom: 1385 128N-H N 7.18 ambi=1 { N:116.3 } ::sumAvg: 4.655 atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } atom: 1348 125W-HA A 3.57 ambi=1 { CA:61 } :: atom: 1337 124L-HB3 B 1.92 ambi=2 { CB:41.9 } atom: 1348 125W-HA A 3.57 ambi=1 { CA:61 } ::sumAvg: 4.4 atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } atom: 1349 125W-HB2 B 2.49 ambi=1 { CB:27.6 } :: atom: 1337 124L-HB3 B 1.92 ambi=2 { CB:41.9 } atom: 1349 125W-HB2 B 2.49 ambi=1 { CB:27.6 } ::sumAvg: 4.395 atom: 1349 125W-HB2 B 2.49 ambi=1 { CB:27.6 } atom: 1336 124L-HB2 B 1.61 ambi=2 { CB:41.9 } :: atom: 1349 125W-HB2 B 2.49 ambi=1 { CB:27.6 } atom: 1337 124L-HB3 B 1.92 ambi=2 { CB:41.9 } ::sumAvg: 4.395 atom: 1338 124L-HG G 1.53 ambi=1 { CG:27 } atom: 1348 125W-HA A 3.57 ambi=1 { CA:61 } ::sumAvg: 3.725 atom: 1387 128N-HB2 B 0.92 ambi=1 { CB:40.4 } atom: 1338 124L-HG G 1.53 ambi=1 { CG:27 } ::sumAvg: 4.88 atom: 1338 124L-HG G 1.53 ambi=1 { CG:27 } atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } ::sumAvg: 4.87 atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } atom: 1338 124L-HG G 1.53 ambi=1 { CG:27 } ::sumAvg: 4.87 atom: 1518 140L-HD1 D1 0.8 ambi=2 { CD1:26.1 } atom: 1338 124L-HG G 1.53 ambi=1 { CG:27 } :: atom: 1519 140L-HD2 D2 0.92 ambi=2 { CD2:22.7 } atom: 1338 124L-HG G 1.53 ambi=1 { CG:27 } ::sumAvg: 4.195 atom: 1339 124L-HD1 D1 0.93 ambi=2 { CD1:23.5 } atom: 1372 127R-H N 7.5 ambi=1 { N:113.5 } :: atom: 1340 124L-HD2 D2 1.04 ambi=2 { CD2:26.2 } atom: 1372 127R-H N 7.5 ambi=1 { N:113.5 } ::sumAvg: 4.395 atom: 1339 124L-HD1 D1 0.93 ambi=2 { CD1:23.5 } atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } :: atom: 1340 124L-HD2 D2 1.04 ambi=2 { CD2:26.2 } atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } ::sumAvg: 4.73 atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } atom: 1339 124L-HD1 D1 0.93 ambi=2 { CD1:23.5 } :: atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } atom: 1340 124L-HD2 D2 1.04 ambi=2 { CD2:26.2 } ::sumAvg: 4.73 atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1339 124L-HD1 D1 0.93 ambi=2 { CD1:23.5 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1339 124L-HD1 D1 0.93 ambi=2 { CD1:23.5 } :: atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1340 124L-HD2 D2 1.04 ambi=2 { CD2:26.2 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1340 124L-HD2 D2 1.04 ambi=2 { CD2:26.2 } ::sumAvg: 4.96 atom: 1353 125W-HE3 E3 7.41 ambi=1 { CE3:120.1 } atom: 1347 125W-H N 8.49 ambi=1 { N:120.6 } ::sumAvg: 4.59 atom: 1368 126A-HB B 1.5 ambi=1 { CB:18.5 } atom: 1347 125W-H N 8.49 ambi=1 { N:120.6 } ::sumAvg: 4.37 atom: 1353 125W-HE3 E3 7.41 ambi=1 { CE3:120.1 } atom: 1348 125W-HA A 3.57 ambi=1 { CA:61 } ::sumAvg: 3.125 atom: 1348 125W-HA A 3.57 ambi=1 { CA:61 } atom: 1367 126A-HA A 4.17 ambi=1 { CA:54.7 } ::sumAvg: 4.795 atom: 1367 126A-HA A 4.17 ambi=1 { CA:54.7 } atom: 1348 125W-HA A 3.57 ambi=1 { CA:61 } ::sumAvg: 4.795 atom: 1348 125W-HA A 3.57 ambi=1 { CA:61 } atom: 1372 127R-H N 7.5 ambi=1 { N:113.5 } ::sumAvg: 4.25 atom: 1387 128N-HB2 B 0.92 ambi=1 { CB:40.4 } atom: 1348 125W-HA A 3.57 ambi=1 { CA:61 } ::sumAvg: 3.555 atom: 1348 125W-HA A 3.57 ambi=1 { CA:61 } atom: 1395 129V-H N 6.64 ambi=1 { N:122.5 } ::sumAvg: 4.755 atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } atom: 1348 125W-HA A 3.57 ambi=1 { CA:61 } ::sumAvg: 4.85 atom: 1350 125W-HB3 B 3.07 ambi=1 { CB:27.6 } atom: 1352 125W-HE1 E1 9.6 ambi=1 { NE1:130.6 } ::sumAvg: 4.795 atom: 1349 125W-HB2 B 2.49 ambi=1 { CB:27.6 } atom: 1355 125W-HZ3 Z3 7.04 ambi=1 { CZ3:123 } ::sumAvg: 4.97 atom: 1355 125W-HZ3 Z3 7.04 ambi=1 { CZ3:123 } atom: 1349 125W-HB2 B 2.49 ambi=1 { CB:27.6 } ::sumAvg: 4.97 atom: 1350 125W-HB3 B 3.07 ambi=1 { CB:27.6 } atom: 1367 126A-HA A 4.17 ambi=1 { CA:54.7 } ::sumAvg: 4.18 atom: 1367 126A-HA A 4.17 ambi=1 { CA:54.7 } atom: 1350 125W-HB3 B 3.07 ambi=1 { CB:27.6 } ::sumAvg: 4.18 atom: 1350 125W-HB3 B 3.07 ambi=1 { CB:27.6 } atom: 1368 126A-HB B 1.5 ambi=1 { CB:18.5 } ::sumAvg: 3.83 atom: 1350 125W-HB3 B 3.07 ambi=1 { CB:27.6 } atom: 1372 127R-H N 7.5 ambi=1 { N:113.5 } ::sumAvg: 4.85 atom: 1350 125W-HB3 B 3.07 ambi=1 { CB:27.6 } atom: 1398 129V-HG1 G1 0.66 ambi=2 { CG1:20.4 } :: atom: 1350 125W-HB3 B 3.07 ambi=1 { CB:27.6 } atom: 1399 129V-HG2 G2 1.08 ambi=2 { CG2:22.9 } ::sumAvg: 4.545 atom: 1398 129V-HG1 G1 0.66 ambi=2 { CG1:20.4 } atom: 1350 125W-HB3 B 3.07 ambi=1 { CB:27.6 } :: atom: 1399 129V-HG2 G2 1.08 ambi=2 { CG2:22.9 } atom: 1350 125W-HB3 B 3.07 ambi=1 { CB:27.6 } ::sumAvg: 4.545 atom: 1356 125W-HH2 H2 7.06 ambi=1 { CH2:123.1 } atom: 1352 125W-HE1 E1 9.6 ambi=1 { NE1:130.6 } ::sumAvg: 4.965 atom: 1353 125W-HE3 E3 7.41 ambi=1 { CE3:120.1 } atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } ::sumAvg: 3.88 atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } atom: 1353 125W-HE3 E3 7.41 ambi=1 { CE3:120.1 } ::sumAvg: 3.88 atom: 1353 125W-HE3 E3 7.41 ambi=1 { CE3:120.1 } atom: 1485 137L-HA A 4.15 ambi=1 { CA:58.4 } ::sumAvg: 4.45 atom: 1353 125W-HE3 E3 7.41 ambi=1 { CE3:120.1 } atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } :: atom: 1353 125W-HE3 E3 7.41 ambi=1 { CE3:120.1 } atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } ::sumAvg: 4.44 atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } atom: 1353 125W-HE3 E3 7.41 ambi=1 { CE3:120.1 } :: atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } atom: 1353 125W-HE3 E3 7.41 ambi=1 { CE3:120.1 } ::sumAvg: 4.44 atom: 1353 125W-HE3 E3 7.41 ambi=1 { CE3:120.1 } atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } :: atom: 1353 125W-HE3 E3 7.41 ambi=1 { CE3:120.1 } atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } ::sumAvg: 3.765 atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 1353 125W-HE3 E3 7.41 ambi=1 { CE3:120.1 } :: atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 1353 125W-HE3 E3 7.41 ambi=1 { CE3:120.1 } ::sumAvg: 3.765 atom: 1353 125W-HE3 E3 7.41 ambi=1 { CE3:120.1 } atom: 1518 140L-HD1 D1 0.8 ambi=2 { CD1:26.1 } :: atom: 1353 125W-HE3 E3 7.41 ambi=1 { CE3:120.1 } atom: 1519 140L-HD2 D2 0.92 ambi=2 { CD2:22.7 } ::sumAvg: 4.515 atom: 1354 125W-HZ2 Z2 7.26 ambi=1 { CZ2:113.9 } atom: 1398 129V-HG1 G1 0.66 ambi=2 { CG1:20.4 } :: atom: 1354 125W-HZ2 Z2 7.26 ambi=1 { CZ2:113.9 } atom: 1399 129V-HG2 G2 1.08 ambi=2 { CG2:22.9 } ::sumAvg: 4.485 atom: 1354 125W-HZ2 Z2 7.26 ambi=1 { CZ2:113.9 } atom: 1435 132F-HB3 B 2.06 ambi=1 { CB:36.4 } ::sumAvg: 3.93 atom: 1435 132F-HB3 B 2.06 ambi=1 { CB:36.4 } atom: 1354 125W-HZ2 Z2 7.26 ambi=1 { CZ2:113.9 } ::sumAvg: 3.93 atom: 1354 125W-HZ2 Z2 7.26 ambi=1 { CZ2:113.9 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } ::sumAvg: 4.64 atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } atom: 1354 125W-HZ2 Z2 7.26 ambi=1 { CZ2:113.9 } ::sumAvg: 4.64 atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } atom: 1354 125W-HZ2 Z2 7.26 ambi=1 { CZ2:113.9 } :: atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } atom: 1354 125W-HZ2 Z2 7.26 ambi=1 { CZ2:113.9 } ::sumAvg: 4.68 atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 1354 125W-HZ2 Z2 7.26 ambi=1 { CZ2:113.9 } :: atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 1354 125W-HZ2 Z2 7.26 ambi=1 { CZ2:113.9 } ::sumAvg: 4.645 atom: 1355 125W-HZ3 Z3 7.04 ambi=1 { CZ3:123 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } ::sumAvg: 3.945 atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } atom: 1355 125W-HZ3 Z3 7.04 ambi=1 { CZ3:123 } ::sumAvg: 3.945 atom: 1355 125W-HZ3 Z3 7.04 ambi=1 { CZ3:123 } atom: 1455 134L-HA A 3.92 ambi=1 { CA:57.5 } ::sumAvg: 4.86 atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } atom: 1355 125W-HZ3 Z3 7.04 ambi=1 { CZ3:123 } :: atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } atom: 1355 125W-HZ3 Z3 7.04 ambi=1 { CZ3:123 } ::sumAvg: 3.75 atom: 1355 125W-HZ3 Z3 7.04 ambi=1 { CZ3:123 } atom: 1484 137L-H N 8.62 ambi=1 { N:121.2 } ::sumAvg: 3.53 atom: 1355 125W-HZ3 Z3 7.04 ambi=1 { CZ3:123 } atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } :: atom: 1355 125W-HZ3 Z3 7.04 ambi=1 { CZ3:123 } atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } ::sumAvg: 3.065 atom: 1435 132F-HB3 B 2.06 ambi=1 { CB:36.4 } atom: 1356 125W-HH2 H2 7.06 ambi=1 { CH2:123.1 } ::sumAvg: 4.195 atom: 1356 125W-HH2 H2 7.06 ambi=1 { CH2:123.1 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } ::sumAvg: 3.99 atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } atom: 1356 125W-HH2 H2 7.06 ambi=1 { CH2:123.1 } ::sumAvg: 3.99 atom: 1356 125W-HH2 H2 7.06 ambi=1 { CH2:123.1 } atom: 1455 134L-HA A 3.92 ambi=1 { CA:57.5 } ::sumAvg: 3.425 atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } atom: 1356 125W-HH2 H2 7.06 ambi=1 { CH2:123.1 } :: atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } atom: 1356 125W-HH2 H2 7.06 ambi=1 { CH2:123.1 } ::sumAvg: 4.29 atom: 1356 125W-HH2 H2 7.06 ambi=1 { CH2:123.1 } atom: 1484 137L-H N 8.62 ambi=1 { N:121.2 } ::sumAvg: 3.915 atom: 1356 125W-HH2 H2 7.06 ambi=1 { CH2:123.1 } atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } :: atom: 1356 125W-HH2 H2 7.06 ambi=1 { CH2:123.1 } atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } ::sumAvg: 3.59 atom: 1374 127R-HB2 B 1.71 ambi=2 { CB:30.1 } atom: 1366 126A-H N 8.33 ambi=1 { N:117.9 } :: atom: 1375 127R-HB3 B 1.86 ambi=2 { CB:30.1 } atom: 1366 126A-H N 8.33 ambi=1 { N:117.9 } ::sumAvg: 4.885 atom: 1367 126A-HA A 4.17 ambi=1 { CA:54.7 } atom: 1385 128N-H N 7.18 ambi=1 { N:116.3 } ::sumAvg: 4.18 atom: 1367 126A-HA A 4.17 ambi=1 { CA:54.7 } atom: 1397 129V-HB B 1.75 ambi=1 { CB:33.3 } ::sumAvg: 3.24 atom: 1368 126A-HB B 1.5 ambi=1 { CB:18.5 } atom: 1385 128N-H N 7.18 ambi=1 { N:116.3 } ::sumAvg: 4.525 atom: 1368 126A-HB B 1.5 ambi=1 { CB:18.5 } atom: 1398 129V-HG1 G1 0.66 ambi=2 { CG1:20.4 } :: atom: 1368 126A-HB B 1.5 ambi=1 { CB:18.5 } atom: 1399 129V-HG2 G2 1.08 ambi=2 { CG2:22.9 } ::sumAvg: 4.095 atom: 1373 127R-HA A 4.14 ambi=1 { CA:57 } atom: 1395 129V-H N 6.64 ambi=1 { N:122.5 } ::sumAvg: 4.585 atom: 1387 128N-HB2 B 0.92 ambi=1 { CB:40.4 } atom: 1374 127R-HB2 B 1.71 ambi=2 { CB:30.1 } :: atom: 1387 128N-HB2 B 0.92 ambi=1 { CB:40.4 } atom: 1375 127R-HB3 B 1.86 ambi=2 { CB:30.1 } ::sumAvg: 4.915 atom: 1396 129V-HA A 4.01 ambi=1 { CA:60.5 } atom: 1385 128N-H N 7.18 ambi=1 { N:116.3 } ::sumAvg: 4.905 atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } atom: 1385 128N-H N 7.18 ambi=1 { N:116.3 } ::sumAvg: 4.74 atom: 1386 128N-HA A 4.26 ambi=1 { CA:53.4 } atom: 1398 129V-HG1 G1 0.66 ambi=2 { CG1:20.4 } :: atom: 1386 128N-HA A 4.26 ambi=1 { CA:53.4 } atom: 1399 129V-HG2 G2 1.08 ambi=2 { CG2:22.9 } ::sumAvg: 4.93 atom: 1398 129V-HG1 G1 0.66 ambi=2 { CG1:20.4 } atom: 1386 128N-HA A 4.26 ambi=1 { CA:53.4 } :: atom: 1399 129V-HG2 G2 1.08 ambi=2 { CG2:22.9 } atom: 1386 128N-HA A 4.26 ambi=1 { CA:53.4 } ::sumAvg: 4.93 atom: 1387 128N-HB2 B 0.92 ambi=1 { CB:40.4 } atom: 1396 129V-HA A 4.01 ambi=1 { CA:60.5 } :: atom: 1388 128N-HB3 B 1.28 ambi=1 { CB:40.4 } atom: 1396 129V-HA A 4.01 ambi=1 { CA:60.5 } ::sumAvg: 4.41 atom: 1396 129V-HA A 4.01 ambi=1 { CA:60.5 } atom: 1387 128N-HB2 B 0.92 ambi=1 { CB:40.4 } :: atom: 1396 129V-HA A 4.01 ambi=1 { CA:60.5 } atom: 1388 128N-HB3 B 1.28 ambi=1 { CB:40.4 } ::sumAvg: 4.41 atom: 1388 128N-HB3 B 1.28 ambi=1 { CB:40.4 } atom: 1398 129V-HG1 G1 0.66 ambi=2 { CG1:20.4 } ::sumAvg: 4.8 atom: 1387 128N-HB2 B 0.92 ambi=1 { CB:40.4 } atom: 1434 132F-HB2 B 1.98 ambi=1 { CB:36.4 } :: atom: 1388 128N-HB3 B 1.28 ambi=1 { CB:40.4 } atom: 1434 132F-HB2 B 1.98 ambi=1 { CB:36.4 } ::sumAvg: 4.58 atom: 1434 132F-HB2 B 1.98 ambi=1 { CB:36.4 } atom: 1387 128N-HB2 B 0.92 ambi=1 { CB:40.4 } :: atom: 1434 132F-HB2 B 1.98 ambi=1 { CB:36.4 } atom: 1388 128N-HB3 B 1.28 ambi=1 { CB:40.4 } ::sumAvg: 4.58 atom: 1387 128N-HB2 B 0.92 ambi=1 { CB:40.4 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } :: atom: 1388 128N-HB3 B 1.28 ambi=1 { CB:40.4 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } ::sumAvg: 3.265 atom: 1387 128N-HB2 B 0.92 ambi=1 { CB:40.4 } atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } :: atom: 1388 128N-HB3 B 1.28 ambi=1 { CB:40.4 } atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } ::sumAvg: 3.65 atom: 1387 128N-HB2 B 0.92 ambi=1 { CB:40.4 } atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } ::sumAvg: 4.26 atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } atom: 1387 128N-HB2 B 0.92 ambi=1 { CB:40.4 } ::sumAvg: 4.26 atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } atom: 1389 128N-HD21 D2 6.92 ambi=2 { ND2:116.8 } :: atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } atom: 1390 128N-HD22 D2 7.29 ambi=2 { ND2:116.8 } ::sumAvg: 4.855 atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } atom: 1390 128N-HD22 D2 7.29 ambi=2 { ND2:116.8 } ::sumAvg: 3.47 atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } atom: 1389 128N-HD21 D2 6.92 ambi=2 { ND2:116.8 } :: atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } atom: 1390 128N-HD22 D2 7.29 ambi=2 { ND2:116.8 } ::sumAvg: 4.08 atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } atom: 1395 129V-H N 6.64 ambi=1 { N:122.5 } ::sumAvg: 4.74 atom: 1434 132F-HB2 B 1.98 ambi=1 { CB:36.4 } atom: 1395 129V-H N 6.64 ambi=1 { N:122.5 } ::sumAvg: 4.865 atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } atom: 1395 129V-H N 6.64 ambi=1 { N:122.5 } ::sumAvg: 4.695 atom: 1396 129V-HA A 4.01 ambi=1 { CA:60.5 } atom: 1406 130P-HB2 B 1.22 ambi=1 { CB:32.6 } :: atom: 1396 129V-HA A 4.01 ambi=1 { CA:60.5 } atom: 1407 130P-HB3 B 1.47 ambi=1 { CB:32.6 } ::sumAvg: 4.255 atom: 1406 130P-HB2 B 1.22 ambi=1 { CB:32.6 } atom: 1396 129V-HA A 4.01 ambi=1 { CA:60.5 } :: atom: 1407 130P-HB3 B 1.47 ambi=1 { CB:32.6 } atom: 1396 129V-HA A 4.01 ambi=1 { CA:60.5 } ::sumAvg: 4.255 atom: 1396 129V-HA A 4.01 ambi=1 { CA:60.5 } atom: 1410 130P-HD2 D 3.23 ambi=2 { CD:48.1 } :: atom: 1396 129V-HA A 4.01 ambi=1 { CA:60.5 } atom: 1411 130P-HD3 D 3.45 ambi=2 { CD:48.1 } ::sumAvg: 4.53 atom: 1410 130P-HD2 D 3.23 ambi=2 { CD:48.1 } atom: 1396 129V-HA A 4.01 ambi=1 { CA:60.5 } :: atom: 1411 130P-HD3 D 3.45 ambi=2 { CD:48.1 } atom: 1396 129V-HA A 4.01 ambi=1 { CA:60.5 } ::sumAvg: 4.53 atom: 1418 131K-HB2 B 1.74 ambi=2 { CB:32.6 } atom: 1396 129V-HA A 4.01 ambi=1 { CA:60.5 } :: atom: 1419 131K-HB3 B 1.6 ambi=2 { CB:32.6 } atom: 1396 129V-HA A 4.01 ambi=1 { CA:60.5 } ::sumAvg: 4.565 atom: 1396 129V-HA A 4.01 ambi=1 { CA:60.5 } atom: 1434 132F-HB2 B 1.98 ambi=1 { CB:36.4 } :: atom: 1396 129V-HA A 4.01 ambi=1 { CA:60.5 } atom: 1435 132F-HB3 B 2.06 ambi=1 { CB:36.4 } ::sumAvg: 3.61 atom: 1396 129V-HA A 4.01 ambi=1 { CA:60.5 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } ::sumAvg: 3.945 atom: 1406 130P-HB2 B 1.22 ambi=1 { CB:32.6 } atom: 1398 129V-HG1 G1 0.66 ambi=2 { CG1:20.4 } :: atom: 1407 130P-HB3 B 1.47 ambi=1 { CB:32.6 } atom: 1398 129V-HG1 G1 0.66 ambi=2 { CG1:20.4 } ::sumAvg: 2.84 atom: 1408 130P-HG2 G 1.25 ambi=2 { CG:24.1 } atom: 1398 129V-HG1 G1 0.66 ambi=2 { CG1:20.4 } :: atom: 1409 130P-HG3 G 1.72 ambi=2 { CG:24.1 } atom: 1398 129V-HG1 G1 0.66 ambi=2 { CG1:20.4 } :: atom: 1409 130P-HG3 G 1.72 ambi=2 { CG:24.1 } atom: 1399 129V-HG2 G2 1.08 ambi=2 { CG2:22.9 } ::sumAvg: 4.215 atom: 1398 129V-HG1 G1 0.66 ambi=2 { CG1:20.4 } atom: 1432 132F-H N 6.28 ambi=1 { N:113.4 } :: atom: 1399 129V-HG2 G2 1.08 ambi=2 { CG2:22.9 } atom: 1432 132F-H N 6.28 ambi=1 { N:113.4 } ::sumAvg: 4.17 atom: 1398 129V-HG1 G1 0.66 ambi=2 { CG1:20.4 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } :: atom: 1399 129V-HG2 G2 1.08 ambi=2 { CG2:22.9 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } ::sumAvg: 3.335 atom: 1398 129V-HG1 G1 0.66 ambi=2 { CG1:20.4 } atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } :: atom: 1399 129V-HG2 G2 1.08 ambi=2 { CG2:22.9 } atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } ::sumAvg: 4.34 atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } atom: 1417 131K-HA A 4.17 ambi=1 { CA:57.9 } ::sumAvg: 4.89 atom: 1417 131K-HA A 4.17 ambi=1 { CA:57.9 } atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } ::sumAvg: 4.89 atom: 1418 131K-HB2 B 1.74 ambi=2 { CB:32.6 } atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } :: atom: 1419 131K-HB3 B 1.6 ambi=2 { CB:32.6 } atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } ::sumAvg: 4.79 atom: 1420 131K-HG2 G 1.26 ambi=2 { CG:25.7 } atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } :: atom: 1421 131K-HG3 G 1.46 ambi=2 { CG:25.7 } atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } ::sumAvg: 4.615 atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } atom: 1432 132F-H N 6.28 ambi=1 { N:113.4 } ::sumAvg: 3.41 atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } atom: 1434 132F-HB2 B 1.98 ambi=1 { CB:36.4 } ::sumAvg: 4.69 atom: 1434 132F-HB2 B 1.98 ambi=1 { CB:36.4 } atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } ::sumAvg: 4.69 atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } ::sumAvg: 4.725 atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } atom: 1405 130P-HA A 4.86 ambi=1 { CA:64.6 } ::sumAvg: 4.725 atom: 1406 130P-HB2 B 1.22 ambi=1 { CB:32.6 } atom: 1416 131K-H N 8.76 ambi=1 { N:122.6 } :: atom: 1407 130P-HB3 B 1.47 ambi=1 { CB:32.6 } atom: 1416 131K-H N 8.76 ambi=1 { N:122.6 } ::sumAvg: 2.01 atom: 1406 130P-HB2 B 1.22 ambi=1 { CB:32.6 } atom: 1417 131K-HA A 4.17 ambi=1 { CA:57.9 } ::sumAvg: 3.875 atom: 1406 130P-HB2 B 1.22 ambi=1 { CB:32.6 } atom: 1432 132F-H N 6.28 ambi=1 { N:113.4 } ::sumAvg: 4.085 atom: 1408 130P-HG2 G 1.25 ambi=2 { CG:24.1 } atom: 1416 131K-H N 8.76 ambi=1 { N:122.6 } :: atom: 1409 130P-HG3 G 1.72 ambi=2 { CG:24.1 } atom: 1416 131K-H N 8.76 ambi=1 { N:122.6 } ::sumAvg: 3.105 atom: 1408 130P-HG2 G 1.25 ambi=2 { CG:24.1 } atom: 1417 131K-HA A 4.17 ambi=1 { CA:57.9 } :: atom: 1409 130P-HG3 G 1.72 ambi=2 { CG:24.1 } atom: 1417 131K-HA A 4.17 ambi=1 { CA:57.9 } ::sumAvg: 4.615 atom: 1408 130P-HG2 G 1.25 ambi=2 { CG:24.1 } atom: 1424 131K-HE2 E 2.87 ambi=2 { CE:41.9 } :: atom: 1408 130P-HG2 G 1.25 ambi=2 { CG:24.1 } atom: 1425 131K-HE3 E 2.91 ambi=2 { CE:41.9 } :: atom: 1409 130P-HG3 G 1.72 ambi=2 { CG:24.1 } atom: 1424 131K-HE2 E 2.87 ambi=2 { CE:41.9 } :: atom: 1409 130P-HG3 G 1.72 ambi=2 { CG:24.1 } atom: 1425 131K-HE3 E 2.91 ambi=2 { CE:41.9 } ::sumAvg: 3.525 atom: 1420 131K-HG2 G 1.26 ambi=2 { CG:25.7 } atom: 1410 130P-HD2 D 3.23 ambi=2 { CD:48.1 } :: atom: 1421 131K-HG3 G 1.46 ambi=2 { CG:25.7 } atom: 1410 130P-HD2 D 3.23 ambi=2 { CD:48.1 } :: atom: 1420 131K-HG2 G 1.26 ambi=2 { CG:25.7 } atom: 1411 130P-HD3 D 3.45 ambi=2 { CD:48.1 } :: atom: 1421 131K-HG3 G 1.46 ambi=2 { CG:25.7 } atom: 1411 130P-HD3 D 3.45 ambi=2 { CD:48.1 } ::sumAvg: 3.765 atom: 1411 130P-HD3 D 3.45 ambi=2 { CD:48.1 } atom: 1424 131K-HE2 E 2.87 ambi=2 { CE:41.9 } :: atom: 1411 130P-HD3 D 3.45 ambi=2 { CD:48.1 } atom: 1425 131K-HE3 E 2.91 ambi=2 { CE:41.9 } ::sumAvg: 4.465 atom: 1424 131K-HE2 E 2.87 ambi=2 { CE:41.9 } atom: 1411 130P-HD3 D 3.45 ambi=2 { CD:48.1 } :: atom: 1425 131K-HE3 E 2.91 ambi=2 { CE:41.9 } atom: 1411 130P-HD3 D 3.45 ambi=2 { CD:48.1 } ::sumAvg: 4.465 atom: 1418 131K-HB2 B 1.74 ambi=2 { CB:32.6 } atom: 1433 132F-HA A 4.03 ambi=1 { CA:51.9 } :: atom: 1419 131K-HB3 B 1.6 ambi=2 { CB:32.6 } atom: 1433 132F-HA A 4.03 ambi=1 { CA:51.9 } ::sumAvg: 4.54 atom: 1433 132F-HA A 4.03 ambi=1 { CA:51.9 } atom: 1418 131K-HB2 B 1.74 ambi=2 { CB:32.6 } :: atom: 1433 132F-HA A 4.03 ambi=1 { CA:51.9 } atom: 1419 131K-HB3 B 1.6 ambi=2 { CB:32.6 } ::sumAvg: 4.54 atom: 1418 131K-HB2 B 1.74 ambi=2 { CB:32.6 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } :: atom: 1419 131K-HB3 B 1.6 ambi=2 { CB:32.6 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } ::sumAvg: 4.5 atom: 1420 131K-HG2 G 1.26 ambi=2 { CG:25.7 } atom: 1432 132F-H N 6.28 ambi=1 { N:113.4 } :: atom: 1421 131K-HG3 G 1.46 ambi=2 { CG:25.7 } atom: 1432 132F-H N 6.28 ambi=1 { N:113.4 } ::sumAvg: 4.63 atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 1432 132F-H N 6.28 ambi=1 { N:113.4 } :: atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } atom: 1432 132F-H N 6.28 ambi=1 { N:113.4 } ::sumAvg: 4.775 atom: 1433 132F-HA A 4.03 ambi=1 { CA:51.9 } atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } ::sumAvg: 4.275 atom: 1433 132F-HA A 4.03 ambi=1 { CA:51.9 } atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } ::sumAvg: 4.35 atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 1433 132F-HA A 4.03 ambi=1 { CA:51.9 } ::sumAvg: 4.35 atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } atom: 1433 132F-HA A 4.03 ambi=1 { CA:51.9 } :: atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } atom: 1433 132F-HA A 4.03 ambi=1 { CA:51.9 } ::sumAvg: 4.055 atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 1433 132F-HA A 4.03 ambi=1 { CA:51.9 } ::sumAvg: 3.305 atom: 1434 132F-HB2 B 1.98 ambi=1 { CB:36.4 } atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } :: atom: 1435 132F-HB3 B 2.06 ambi=1 { CB:36.4 } atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } ::sumAvg: 4.41 atom: 1434 132F-HB2 B 1.98 ambi=1 { CB:36.4 } atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } :: atom: 1435 132F-HB3 B 2.06 ambi=1 { CB:36.4 } atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } ::sumAvg: 3.51 atom: 1435 132F-HB3 B 2.06 ambi=1 { CB:36.4 } atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } :: atom: 1435 132F-HB3 B 2.06 ambi=1 { CB:36.4 } atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } ::sumAvg: 4.395 atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 1435 132F-HB3 B 2.06 ambi=1 { CB:36.4 } :: atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } atom: 1435 132F-HB3 B 2.06 ambi=1 { CB:36.4 } ::sumAvg: 4.395 atom: 1435 132F-HB3 B 2.06 ambi=1 { CB:36.4 } atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } ::sumAvg: 4.035 atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } atom: 1435 132F-HB3 B 2.06 ambi=1 { CB:36.4 } ::sumAvg: 4.035 atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } :: atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } ::sumAvg: 4.63 atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } :: atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } ::sumAvg: 4.63 atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } :: atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } ::sumAvg: 3.015 atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 1436 132F-QD D 6.2 ambi=3 { CD1:127.3 } ::sumAvg: 4.48 atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } ::sumAvg: 4.68 atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } :: atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } ::sumAvg: 3.13 atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } :: atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } ::sumAvg: 3.13 atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } atom: 1477 136H-HD2 D2 5.82 ambi=1 { CD2:115.6 } ::sumAvg: 4.56 atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } atom: 1484 137L-H N 8.62 ambi=1 { N:121.2 } ::sumAvg: 4.84 atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } :: atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } ::sumAvg: 4.795 atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } :: atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } atom: 1438 132F-QE E 6.77 ambi=3 { CE1:129.7 } ::sumAvg: 4.795 atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } :: atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } ::sumAvg: 4.19 atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } :: atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } ::sumAvg: 4.19 atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } atom: 1518 140L-HD1 D1 0.8 ambi=2 { CD1:26.1 } :: atom: 1440 132F-HZ Z 6.2 ambi=1 { CZ:130.1 } atom: 1519 140L-HD2 D2 0.92 ambi=2 { CD2:22.7 } ::sumAvg: 3.35 atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } ::sumAvg: 4.915 atom: 1477 136H-HD2 D2 5.82 ambi=1 { CD2:115.6 } atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } ::sumAvg: 4.965 atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 1449 133G-H N 9.74 ambi=1 { N:112.9 } ::sumAvg: 3.135 atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 1455 134L-HA A 3.92 ambi=1 { CA:57.5 } ::sumAvg: 4.26 atom: 1455 134L-HA A 3.92 ambi=1 { CA:57.5 } atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } ::sumAvg: 4.26 atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 1456 134L-HB2 B 0.74 ambi=1 { CB:40.4 } :: atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } atom: 1456 134L-HB2 B 0.74 ambi=1 { CB:40.4 } ::sumAvg: 4.465 atom: 1456 134L-HB2 B 0.74 ambi=1 { CB:40.4 } atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } :: atom: 1456 134L-HB2 B 0.74 ambi=1 { CB:40.4 } atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } ::sumAvg: 4.465 atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } :: atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } ::sumAvg: 4.985 atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } :: atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } ::sumAvg: 3.57 atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 1473 136H-H N 7.37 ambi=1 { N:115.4 } :: atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } atom: 1473 136H-H N 7.37 ambi=1 { N:115.4 } ::sumAvg: 3.85 atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } :: atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } :: atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } :: atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } ::sumAvg: 4.38 atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } :: atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } ::sumAvg: 3.955 atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 1450 133G-HA2 A 5.14 ambi=2 { CA:44 } :: atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 1451 133G-HA3 A 4.14 ambi=2 { CA:44 } ::sumAvg: 3.955 atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } atom: 1454 134L-H N 10.28 ambi=1 { N:125 } ::sumAvg: 4.25 atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } atom: 1455 134L-HA A 3.92 ambi=1 { CA:57.5 } ::sumAvg: 4.99 atom: 1455 134L-HA A 3.92 ambi=1 { CA:57.5 } atom: 1473 136H-H N 7.37 ambi=1 { N:115.4 } ::sumAvg: 4.155 atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } atom: 1455 134L-HA A 3.92 ambi=1 { CA:57.5 } :: atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } atom: 1455 134L-HA A 3.92 ambi=1 { CA:57.5 } ::sumAvg: 4.78 atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } atom: 1468 135A-HA A 3.75 ambi=1 { CA:55.6 } ::sumAvg: 4.395 atom: 1468 135A-HA A 3.75 ambi=1 { CA:55.6 } atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } ::sumAvg: 4.395 atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } ::sumAvg: 4.545 atom: 1456 134L-HB2 B 0.74 ambi=1 { CB:40.4 } atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } :: atom: 1456 134L-HB2 B 0.74 ambi=1 { CB:40.4 } atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } :: atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } ::sumAvg: 4.685 atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } atom: 1456 134L-HB2 B 0.74 ambi=1 { CB:40.4 } :: atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } atom: 1456 134L-HB2 B 0.74 ambi=1 { CB:40.4 } :: atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } ::sumAvg: 4.685 atom: 1456 134L-HB2 B 0.74 ambi=1 { CB:40.4 } atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } :: atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } :: atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } ::sumAvg: 4.615 atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 1456 134L-HB2 B 0.74 ambi=1 { CB:40.4 } :: atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } :: atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 1457 134L-HB3 B 1.6 ambi=1 { CB:40.4 } ::sumAvg: 4.615 atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } ::sumAvg: 4.055 atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } ::sumAvg: 4.385 atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } ::sumAvg: 4.385 atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } :: atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } ::sumAvg: 4.095 atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } :: atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } ::sumAvg: 4.095 atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } ::sumAvg: 4.475 atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } atom: 1458 134L-HG G 1.64 ambi=1 { CG:26.2 } ::sumAvg: 4.475 atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } :: atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } ::sumAvg: 4.495 atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } ::sumAvg: 3.925 atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } :: atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } ::sumAvg: 4.605 atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } atom: 1459 134L-HD1 D1 -0.51 ambi=2 { CD1:23 } :: atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } atom: 1460 134L-HD2 D2 0.37 ambi=2 { CD2:22 } ::sumAvg: 4.605 atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } :: atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } atom: 1467 135A-H N 9.24 ambi=1 { N:120.1 } ::sumAvg: 4.8 atom: 1468 135A-HA A 3.75 ambi=1 { CA:55.6 } atom: 1484 137L-H N 8.62 ambi=1 { N:121.2 } ::sumAvg: 4.23 atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } atom: 1468 135A-HA A 3.75 ambi=1 { CA:55.6 } :: atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } atom: 1468 135A-HA A 3.75 ambi=1 { CA:55.6 } ::sumAvg: 4.9 atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } atom: 1468 135A-HA A 3.75 ambi=1 { CA:55.6 } ::sumAvg: 3.635 atom: 1468 135A-HA A 3.75 ambi=1 { CA:55.6 } atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } ::sumAvg: 4.845 atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } atom: 1468 135A-HA A 3.75 ambi=1 { CA:55.6 } ::sumAvg: 4.845 atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } :: atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } ::sumAvg: 4.625 atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } atom: 1477 136H-HD2 D2 5.82 ambi=1 { CD2:115.6 } ::sumAvg: 4.34 atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } ::sumAvg: 4.915 atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } ::sumAvg: 4.915 atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } atom: 1484 137L-H N 8.62 ambi=1 { N:121.2 } ::sumAvg: 4.52 atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } atom: 1497 138M-H N 7.93 ambi=1 { N:117.1 } ::sumAvg: 4.64 atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } atom: 1499 138M-HB2 B 2.2 ambi=1 { CB:31.6 } :: atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } atom: 1500 138M-HB3 B 2.46 ambi=1 { CB:31.6 } ::sumAvg: 4.4 atom: 1469 135A-HB B 1.04 ambi=1 { CB:18 } atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } ::sumAvg: 4.715 atom: 1477 136H-HD2 D2 5.82 ambi=1 { CD2:115.6 } atom: 1473 136H-H N 7.37 ambi=1 { N:115.4 } ::sumAvg: 4.05 atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } atom: 1473 136H-H N 7.37 ambi=1 { N:115.4 } :: atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } atom: 1473 136H-H N 7.37 ambi=1 { N:115.4 } ::sumAvg: 4.69 atom: 1474 136H-HA A 3.57 ambi=1 { CA:61.9 } atom: 1485 137L-HA A 4.15 ambi=1 { CA:58.4 } ::sumAvg: 4.83 atom: 1485 137L-HA A 4.15 ambi=1 { CA:58.4 } atom: 1474 136H-HA A 3.57 ambi=1 { CA:61.9 } ::sumAvg: 4.83 atom: 1474 136H-HA A 3.57 ambi=1 { CA:61.9 } atom: 1497 138M-H N 7.93 ambi=1 { N:117.1 } ::sumAvg: 4.465 atom: 1474 136H-HA A 3.57 ambi=1 { CA:61.9 } atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } :: atom: 1474 136H-HA A 3.57 ambi=1 { CA:61.9 } atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } ::sumAvg: 4.515 atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } atom: 1474 136H-HA A 3.57 ambi=1 { CA:61.9 } :: atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } atom: 1474 136H-HA A 3.57 ambi=1 { CA:61.9 } ::sumAvg: 4.515 atom: 1517 140L-HG G 1.64 ambi=1 { CG:27 } atom: 1474 136H-HA A 3.57 ambi=1 { CA:61.9 } ::sumAvg: 3.405 atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } :: atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } ::sumAvg: 4.68 atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } :: atom: 1478 136H-HE1 E1 7.71 ambi=1 { CE1:136.3 } atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } ::sumAvg: 4.68 atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } :: atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } ::sumAvg: 4.75 atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } :: atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } ::sumAvg: 4.75 atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } :: atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } :: atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } ::sumAvg: 4.06 atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } atom: 1517 140L-HG G 1.64 ambi=1 { CG:27 } :: atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } atom: 1517 140L-HG G 1.64 ambi=1 { CG:27 } ::sumAvg: 3.96 atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } atom: 1518 140L-HD1 D1 0.8 ambi=2 { CD1:26.1 } :: atom: 1475 136H-HB2 B 2.35 ambi=2 { CB:29.7 } atom: 1519 140L-HD2 D2 0.92 ambi=2 { CD2:22.7 } :: atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } atom: 1518 140L-HD1 D1 0.8 ambi=2 { CD1:26.1 } :: atom: 1476 136H-HB3 B 3.34 ambi=2 { CB:29.7 } atom: 1519 140L-HD2 D2 0.92 ambi=2 { CD2:22.7 } ::sumAvg: 2.4 atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } atom: 1477 136H-HD2 D2 5.82 ambi=1 { CD2:115.6 } ::sumAvg: 4.405 atom: 1477 136H-HD2 D2 5.82 ambi=1 { CD2:115.6 } atom: 1517 140L-HG G 1.64 ambi=1 { CG:27 } ::sumAvg: 4.455 atom: 1517 140L-HG G 1.64 ambi=1 { CG:27 } atom: 1477 136H-HD2 D2 5.82 ambi=1 { CD2:115.6 } ::sumAvg: 4.455 atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } atom: 1484 137L-H N 8.62 ambi=1 { N:121.2 } ::sumAvg: 4.395 atom: 1499 138M-HB2 B 2.2 ambi=1 { CB:31.6 } atom: 1484 137L-H N 8.62 ambi=1 { N:121.2 } ::sumAvg: 4.915 atom: 1518 140L-HD1 D1 0.8 ambi=2 { CD1:26.1 } atom: 1484 137L-H N 8.62 ambi=1 { N:121.2 } :: atom: 1519 140L-HD2 D2 0.92 ambi=2 { CD2:22.7 } atom: 1484 137L-H N 8.62 ambi=1 { N:121.2 } ::sumAvg: 4.755 atom: 1485 137L-HA A 4.15 ambi=1 { CA:58.4 } atom: 1507 139A-H N 8.35 ambi=1 { N:120.5 } ::sumAvg: 4.5 atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } atom: 1485 137L-HA A 4.15 ambi=1 { CA:58.4 } :: atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } atom: 1485 137L-HA A 4.15 ambi=1 { CA:58.4 } ::sumAvg: 3.17 atom: 1518 140L-HD1 D1 0.8 ambi=2 { CD1:26.1 } atom: 1485 137L-HA A 4.15 ambi=1 { CA:58.4 } :: atom: 1519 140L-HD2 D2 0.92 ambi=2 { CD2:22.7 } atom: 1485 137L-HA A 4.15 ambi=1 { CA:58.4 } ::sumAvg: 4.095 atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1485 137L-HA A 4.15 ambi=1 { CA:58.4 } ::sumAvg: 4.08 atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } atom: 1498 138M-HA A 4.36 ambi=1 { CA:57 } :: atom: 1487 137L-HB3 B 2.33 ambi=2 { CB:42.1 } atom: 1498 138M-HA A 4.36 ambi=1 { CA:57 } ::sumAvg: 4.5 atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } atom: 1499 138M-HB2 B 2.2 ambi=1 { CB:31.6 } ::sumAvg: 4.735 atom: 1499 138M-HB2 B 2.2 ambi=1 { CB:31.6 } atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } ::sumAvg: 4.735 atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } ::sumAvg: 4.725 atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } atom: 1486 137L-HB2 B 1.42 ambi=2 { CB:42.1 } ::sumAvg: 4.725 atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } atom: 1497 138M-H N 7.93 ambi=1 { N:117.1 } ::sumAvg: 3.43 atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } atom: 1498 138M-HA A 4.36 ambi=1 { CA:57 } ::sumAvg: 3.485 atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } ::sumAvg: 4.44 atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } atom: 1526 141G-H N 7.41 ambi=1 { N:107.1 } ::sumAvg: 4.635 atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } :: atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } ::sumAvg: 4.175 atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } ::sumAvg: 4.175 atom: 1488 137L-HG G 1.11 ambi=1 { CG:26.4 } atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } ::sumAvg: 4.14 atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 1498 138M-HA A 4.36 ambi=1 { CA:57 } :: atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 1498 138M-HA A 4.36 ambi=1 { CA:57 } ::sumAvg: 4.4 atom: 1498 138M-HA A 4.36 ambi=1 { CA:57 } atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } :: atom: 1498 138M-HA A 4.36 ambi=1 { CA:57 } atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } ::sumAvg: 4.4 atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } :: atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } ::sumAvg: 4.83 atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } :: atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } ::sumAvg: 4.83 atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 1513 140L-H N 8.89 ambi=1 { N:110.9 } :: atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 1513 140L-H N 8.89 ambi=1 { N:110.9 } ::sumAvg: 4.575 atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } :: atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } :: atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } :: atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } ::sumAvg: 4.14 atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } :: atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } :: atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } :: atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } ::sumAvg: 4.14 atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 1526 141G-H N 7.41 ambi=1 { N:107.1 } :: atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 1526 141G-H N 7.41 ambi=1 { N:107.1 } ::sumAvg: 3.65 atom: 1489 137L-HD1 D1 -0.05 ambi=2 { CD1:25.8 } atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } :: atom: 1490 137L-HD2 D2 0.45 ambi=2 { CD2:23.3 } atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } ::sumAvg: 3.815 atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } atom: 1498 138M-HA A 4.36 ambi=1 { CA:57 } ::sumAvg: 4.98 atom: 1498 138M-HA A 4.36 ambi=1 { CA:57 } atom: 1513 140L-H N 8.89 ambi=1 { N:110.9 } ::sumAvg: 4.55 atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1498 138M-HA A 4.36 ambi=1 { CA:57 } ::sumAvg: 4.55 atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } atom: 1498 138M-HA A 4.36 ambi=1 { CA:57 } :: atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } atom: 1498 138M-HA A 4.36 ambi=1 { CA:57 } ::sumAvg: 2.485 atom: 1535 142L-HG G 1.88 ambi=1 { CG:27 } atom: 1498 138M-HA A 4.36 ambi=1 { CA:57 } ::sumAvg: 4.92 atom: 1499 138M-HB2 B 2.2 ambi=1 { CB:31.6 } atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } :: atom: 1500 138M-HB3 B 2.46 ambi=1 { CB:31.6 } atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } ::sumAvg: 4.105 atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } atom: 1499 138M-HB2 B 2.2 ambi=1 { CB:31.6 } :: atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } atom: 1500 138M-HB3 B 2.46 ambi=1 { CB:31.6 } ::sumAvg: 4.105 atom: 1500 138M-HB3 B 2.46 ambi=1 { CB:31.6 } atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } ::sumAvg: 4.795 atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } atom: 1499 138M-HB2 B 2.2 ambi=1 { CB:31.6 } :: atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } atom: 1500 138M-HB3 B 2.46 ambi=1 { CB:31.6 } ::sumAvg: 4.025 atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } atom: 1507 139A-H N 8.35 ambi=1 { N:120.5 } ::sumAvg: 3.93 atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } atom: 1508 139A-HA A 4.49 ambi=1 { CA:55.8 } ::sumAvg: 4.685 atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } ::sumAvg: 4.69 atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } ::sumAvg: 3.86 atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } atom: 1501 138M-QG G 2.21 ambi=2 { CG:32.2 } ::sumAvg: 3.86 atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } atom: 1507 139A-H N 8.35 ambi=1 { N:120.5 } :: atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } atom: 1507 139A-H N 8.35 ambi=1 { N:120.5 } ::sumAvg: 4.57 atom: 1508 139A-HA A 4.49 ambi=1 { CA:55.8 } atom: 1544 143G-H N 9.07 ambi=1 { N:105.7 } ::sumAvg: 3.77 atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } atom: 1508 139A-HA A 4.49 ambi=1 { CA:55.8 } :: atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } atom: 1508 139A-HA A 4.49 ambi=1 { CA:55.8 } ::sumAvg: 3.58 atom: 1508 139A-HA A 4.49 ambi=1 { CA:55.8 } atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } :: atom: 1508 139A-HA A 4.49 ambi=1 { CA:55.8 } atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } ::sumAvg: 3.89 atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } atom: 1508 139A-HA A 4.49 ambi=1 { CA:55.8 } :: atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } atom: 1508 139A-HA A 4.49 ambi=1 { CA:55.8 } ::sumAvg: 3.89 atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } :: atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } ::sumAvg: 4.155 atom: 1517 140L-HG G 1.64 ambi=1 { CG:27 } atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } ::sumAvg: 2.915 atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } atom: 1518 140L-HD1 D1 0.8 ambi=2 { CD1:26.1 } ::sumAvg: 3.605 atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } :: atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } ::sumAvg: 4.87 atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } :: atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } ::sumAvg: 4.87 atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } :: atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } atom: 1509 139A-HB B 1.22 ambi=1 { CB:20.6 } ::sumAvg: 4.585 atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1513 140L-H N 8.89 ambi=1 { N:110.9 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1513 140L-H N 8.89 ambi=1 { N:110.9 } ::sumAvg: 4.56 atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } atom: 1513 140L-H N 8.89 ambi=1 { N:110.9 } :: atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } atom: 1513 140L-H N 8.89 ambi=1 { N:110.9 } ::sumAvg: 4.645 atom: 1514 140L-HA A 4.51 ambi=1 { CA:54.5 } atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } :: atom: 1514 140L-HA A 4.51 ambi=1 { CA:54.5 } atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } ::sumAvg: 4.55 atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1514 140L-HA A 4.51 ambi=1 { CA:54.5 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1514 140L-HA A 4.51 ambi=1 { CA:54.5 } ::sumAvg: 4.55 atom: 1552 144P-HG2 G 1.84 ambi=2 { CG:28.3 } atom: 1514 140L-HA A 4.51 ambi=1 { CA:54.5 } :: atom: 1553 144P-HG3 G 2.09 ambi=2 { CG:28.3 } atom: 1514 140L-HA A 4.51 ambi=1 { CA:54.5 } ::sumAvg: 2.855 atom: 1514 140L-HA A 4.51 ambi=1 { CA:54.5 } atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } :: atom: 1514 140L-HA A 4.51 ambi=1 { CA:54.5 } atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } ::sumAvg: 3.6 atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } atom: 1514 140L-HA A 4.51 ambi=1 { CA:54.5 } :: atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } atom: 1514 140L-HA A 4.51 ambi=1 { CA:54.5 } ::sumAvg: 3.6 atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } atom: 1526 141G-H N 7.41 ambi=1 { N:107.1 } :: atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } atom: 1526 141G-H N 7.41 ambi=1 { N:107.1 } ::sumAvg: 3.02 atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } :: atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } :: atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } :: atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } ::sumAvg: 4.385 atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1515 140L-HB2 B 1.74 ambi=2 { CB:43.3 } :: atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1516 140L-HB3 B 2.08 ambi=2 { CB:43.3 } ::sumAvg: 4.385 atom: 1517 140L-HG G 1.64 ambi=1 { CG:27 } atom: 1526 141G-H N 7.41 ambi=1 { N:107.1 } ::sumAvg: 4.52 atom: 1552 144P-HG2 G 1.84 ambi=2 { CG:28.3 } atom: 1518 140L-HD1 D1 0.8 ambi=2 { CD1:26.1 } :: atom: 1553 144P-HG3 G 2.09 ambi=2 { CG:28.3 } atom: 1518 140L-HD1 D1 0.8 ambi=2 { CD1:26.1 } :: atom: 1552 144P-HG2 G 1.84 ambi=2 { CG:28.3 } atom: 1519 140L-HD2 D2 0.92 ambi=2 { CD2:22.7 } :: atom: 1553 144P-HG3 G 2.09 ambi=2 { CG:28.3 } atom: 1519 140L-HD2 D2 0.92 ambi=2 { CD2:22.7 } ::sumAvg: 4.2 atom: 1532 142L-HA A 4.08 ambi=1 { CA:57.9 } atom: 1526 141G-H N 7.41 ambi=1 { N:107.1 } ::sumAvg: 4.98 atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } atom: 1526 141G-H N 7.41 ambi=1 { N:107.1 } :: atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } atom: 1526 141G-H N 7.41 ambi=1 { N:107.1 } ::sumAvg: 4.545 atom: 1552 144P-HG2 G 1.84 ambi=2 { CG:28.3 } atom: 1526 141G-H N 7.41 ambi=1 { N:107.1 } :: atom: 1553 144P-HG3 G 2.09 ambi=2 { CG:28.3 } atom: 1526 141G-H N 7.41 ambi=1 { N:107.1 } ::sumAvg: 4.33 atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } atom: 1526 141G-H N 7.41 ambi=1 { N:107.1 } :: atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } atom: 1526 141G-H N 7.41 ambi=1 { N:107.1 } ::sumAvg: 3.425 atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } :: atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } ::sumAvg: 4.4 atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1544 143G-H N 9.07 ambi=1 { N:105.7 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1544 143G-H N 9.07 ambi=1 { N:105.7 } ::sumAvg: 4.68 atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1550 144P-HB2 B 1.82 ambi=2 { CB:32.1 } :: atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1551 144P-HB3 B 2.44 ambi=2 { CB:32.1 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1550 144P-HB2 B 1.82 ambi=2 { CB:32.1 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1551 144P-HB3 B 2.44 ambi=2 { CB:32.1 } ::sumAvg: 4.695 atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1552 144P-HG2 G 1.84 ambi=2 { CG:28.3 } :: atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1553 144P-HG3 G 2.09 ambi=2 { CG:28.3 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1552 144P-HG2 G 1.84 ambi=2 { CG:28.3 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1553 144P-HG3 G 2.09 ambi=2 { CG:28.3 } ::sumAvg: 3.685 atom: 1552 144P-HG2 G 1.84 ambi=2 { CG:28.3 } atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } :: atom: 1553 144P-HG3 G 2.09 ambi=2 { CG:28.3 } atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } :: atom: 1552 144P-HG2 G 1.84 ambi=2 { CG:28.3 } atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } :: atom: 1553 144P-HG3 G 2.09 ambi=2 { CG:28.3 } atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } ::sumAvg: 3.685 atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } :: atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } ::sumAvg: 3.66 atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1560 145W-H N 7.2 ambi=1 { N:118.4 } :: atom: 1528 141G-HA3 A 3.16 ambi=2 { CA:45.7 } atom: 1560 145W-H N 7.2 ambi=1 { N:118.4 } ::sumAvg: 4.345 atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } :: atom: 1527 141G-HA2 A 4.05 ambi=2 { CA:45.7 } atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } ::sumAvg: 4.53 atom: 1535 142L-HG G 1.88 ambi=1 { CG:27 } atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } ::sumAvg: 4.415 atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } :: atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } ::sumAvg: 4.915 atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } :: atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } atom: 1531 142L-H N 7.83 ambi=1 { N:125.1 } ::sumAvg: 3.615 atom: 1532 142L-HA A 4.08 ambi=1 { CA:57.9 } atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } ::sumAvg: 4.815 atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } atom: 1532 142L-HA A 4.08 ambi=1 { CA:57.9 } ::sumAvg: 4.815 atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } atom: 1532 142L-HA A 4.08 ambi=1 { CA:57.9 } :: atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } atom: 1532 142L-HA A 4.08 ambi=1 { CA:57.9 } ::sumAvg: 4.3 atom: 1532 142L-HA A 4.08 ambi=1 { CA:57.9 } atom: 1566 145W-HE3 E3 7.08 ambi=1 { CE3:119.6 } ::sumAvg: 3.995 atom: 1566 145W-HE3 E3 7.08 ambi=1 { CE3:119.6 } atom: 1532 142L-HA A 4.08 ambi=1 { CA:57.9 } ::sumAvg: 3.995 atom: 1532 142L-HA A 4.08 ambi=1 { CA:57.9 } atom: 1579 146L-H N 8.68 ambi=1 { N:118.8 } ::sumAvg: 4.08 atom: 1583 146L-HG G 2.08 ambi=1 { CG:26.8 } atom: 1532 142L-HA A 4.08 ambi=1 { CA:57.9 } ::sumAvg: 4.015 atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } :: atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } :: atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } :: atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } ::sumAvg: 4.33 atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } :: atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } :: atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } :: atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } ::sumAvg: 4.33 atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } :: atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } :: atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } :: atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } ::sumAvg: 4.83 atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } :: atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } :: atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } :: atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } ::sumAvg: 4.83 atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } :: atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } :: atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } :: atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } ::sumAvg: 4.875 atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } :: atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } atom: 1533 142L-HB2 B 1.36 ambi=2 { CB:42.2 } :: atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } :: atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } atom: 1534 142L-HB3 B 2.33 ambi=2 { CB:42.2 } ::sumAvg: 4.875 atom: 1535 142L-HG G 1.88 ambi=1 { CG:27 } atom: 1544 143G-H N 9.07 ambi=1 { N:105.7 } ::sumAvg: 3.71 atom: 1535 142L-HG G 1.88 ambi=1 { CG:27 } atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } :: atom: 1535 142L-HG G 1.88 ambi=1 { CG:27 } atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } ::sumAvg: 3.59 atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } atom: 1535 142L-HG G 1.88 ambi=1 { CG:27 } :: atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } atom: 1535 142L-HG G 1.88 ambi=1 { CG:27 } ::sumAvg: 3.59 atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } atom: 1535 142L-HG G 1.88 ambi=1 { CG:27 } :: atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } atom: 1535 142L-HG G 1.88 ambi=1 { CG:27 } ::sumAvg: 4.77 atom: 1566 145W-HE3 E3 7.08 ambi=1 { CE3:119.6 } atom: 1535 142L-HG G 1.88 ambi=1 { CG:27 } ::sumAvg: 4.55 atom: 1535 142L-HG G 1.88 ambi=1 { CG:27 } atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } ::sumAvg: 4.615 atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } atom: 1535 142L-HG G 1.88 ambi=1 { CG:27 } ::sumAvg: 4.615 atom: 1552 144P-HG2 G 1.84 ambi=2 { CG:28.3 } atom: 1544 143G-H N 9.07 ambi=1 { N:105.7 } :: atom: 1553 144P-HG3 G 2.09 ambi=2 { CG:28.3 } atom: 1544 143G-H N 9.07 ambi=1 { N:105.7 } ::sumAvg: 4.64 atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } atom: 1549 144P-HA A 4.25 ambi=1 { CA:64.6 } :: atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } atom: 1549 144P-HA A 4.25 ambi=1 { CA:64.6 } ::sumAvg: 4.45 atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } atom: 1552 144P-HG2 G 1.84 ambi=2 { CG:28.3 } :: atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } atom: 1553 144P-HG3 G 2.09 ambi=2 { CG:28.3 } :: atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } atom: 1552 144P-HG2 G 1.84 ambi=2 { CG:28.3 } :: atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } atom: 1553 144P-HG3 G 2.09 ambi=2 { CG:28.3 } ::sumAvg: 4.635 atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } atom: 1560 145W-H N 7.2 ambi=1 { N:118.4 } :: atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } atom: 1560 145W-H N 7.2 ambi=1 { N:118.4 } ::sumAvg: 4.44 atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } atom: 1579 146L-H N 8.68 ambi=1 { N:118.8 } :: atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } atom: 1579 146L-H N 8.68 ambi=1 { N:118.8 } ::sumAvg: 3.72 atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } :: atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } :: atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } :: atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } ::sumAvg: 3.115 atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } :: atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } :: atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } :: atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } ::sumAvg: 3.115 atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } atom: 1583 146L-HG G 2.08 ambi=1 { CG:26.8 } :: atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } atom: 1583 146L-HG G 2.08 ambi=1 { CG:26.8 } ::sumAvg: 3.685 atom: 1583 146L-HG G 2.08 ambi=1 { CG:26.8 } atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } :: atom: 1583 146L-HG G 2.08 ambi=1 { CG:26.8 } atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } ::sumAvg: 3.685 atom: 1545 143G-HA2 A 3.12 ambi=2 { CA:49.3 } atom: 1592 147A-H N 7.31 ambi=1 { N:115 } :: atom: 1546 143G-HA3 A 3.72 ambi=2 { CA:49.3 } atom: 1592 147A-H N 7.31 ambi=1 { N:115 } ::sumAvg: 4.59 atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } atom: 1549 144P-HA A 4.25 ambi=1 { CA:64.6 } :: atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } atom: 1549 144P-HA A 4.25 ambi=1 { CA:64.6 } ::sumAvg: 3.65 atom: 1549 144P-HA A 4.25 ambi=1 { CA:64.6 } atom: 1579 146L-H N 8.68 ambi=1 { N:118.8 } ::sumAvg: 4.485 atom: 1549 144P-HA A 4.25 ambi=1 { CA:64.6 } atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } :: atom: 1549 144P-HA A 4.25 ambi=1 { CA:64.6 } atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } ::sumAvg: 4.985 atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } atom: 1549 144P-HA A 4.25 ambi=1 { CA:64.6 } :: atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } atom: 1549 144P-HA A 4.25 ambi=1 { CA:64.6 } ::sumAvg: 4.985 atom: 1561 145W-HA A 4.06 ambi=1 { CA:62.3 } atom: 1550 144P-HB2 B 1.82 ambi=2 { CB:32.1 } :: atom: 1561 145W-HA A 4.06 ambi=1 { CA:62.3 } atom: 1551 144P-HB3 B 2.44 ambi=2 { CB:32.1 } ::sumAvg: 4.07 atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } atom: 1550 144P-HB2 B 1.82 ambi=2 { CB:32.1 } :: atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } atom: 1550 144P-HB2 B 1.82 ambi=2 { CB:32.1 } :: atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } atom: 1551 144P-HB3 B 2.44 ambi=2 { CB:32.1 } :: atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } atom: 1551 144P-HB3 B 2.44 ambi=2 { CB:32.1 } ::sumAvg: 4.625 atom: 1594 147A-HB B 1.43 ambi=1 { CB:18.2 } atom: 1551 144P-HB3 B 2.44 ambi=2 { CB:32.1 } ::sumAvg: 4.505 atom: 1550 144P-HB2 B 1.82 ambi=2 { CB:32.1 } atom: 1601 148V-HG1 G1 0.75 ambi=2 { CG1:21.1 } :: atom: 1550 144P-HB2 B 1.82 ambi=2 { CB:32.1 } atom: 1602 148V-HG2 G2 0.93 ambi=2 { CG2:21.8 } :: atom: 1551 144P-HB3 B 2.44 ambi=2 { CB:32.1 } atom: 1601 148V-HG1 G1 0.75 ambi=2 { CG1:21.1 } :: atom: 1551 144P-HB3 B 2.44 ambi=2 { CB:32.1 } atom: 1602 148V-HG2 G2 0.93 ambi=2 { CG2:21.8 } ::sumAvg: 3.92 atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } atom: 1552 144P-HG2 G 1.84 ambi=2 { CG:28.3 } :: atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } atom: 1552 144P-HG2 G 1.84 ambi=2 { CG:28.3 } :: atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } atom: 1553 144P-HG3 G 2.09 ambi=2 { CG:28.3 } :: atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } atom: 1553 144P-HG3 G 2.09 ambi=2 { CG:28.3 } ::sumAvg: 4.89 atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } ::sumAvg: 4.64 atom: 1554 144P-HD2 D 3.08 ambi=2 { CD:51.4 } atom: 1579 146L-H N 8.68 ambi=1 { N:118.8 } :: atom: 1555 144P-HD3 D 3.6 ambi=2 { CD:51.4 } atom: 1579 146L-H N 8.68 ambi=1 { N:118.8 } ::sumAvg: 4.74 atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } atom: 1560 145W-H N 7.2 ambi=1 { N:118.4 } :: atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } atom: 1560 145W-H N 7.2 ambi=1 { N:118.4 } ::sumAvg: 4.605 atom: 1583 146L-HG G 2.08 ambi=1 { CG:26.8 } atom: 1560 145W-H N 7.2 ambi=1 { N:118.4 } ::sumAvg: 4.54 atom: 1566 145W-HE3 E3 7.08 ambi=1 { CE3:119.6 } atom: 1561 145W-HA A 4.06 ambi=1 { CA:62.3 } ::sumAvg: 4.575 atom: 1580 146L-HA A 3.58 ambi=1 { CA:57.8 } atom: 1561 145W-HA A 4.06 ambi=1 { CA:62.3 } ::sumAvg: 4.8 atom: 1594 147A-HB B 1.43 ambi=1 { CB:18.2 } atom: 1561 145W-HA A 4.06 ambi=1 { CA:62.3 } ::sumAvg: 4.92 atom: 1561 145W-HA A 4.06 ambi=1 { CA:62.3 } atom: 1600 148V-HB B 1.8 ambi=1 { CB:33.1 } ::sumAvg: 2.95 atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } :: atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } ::sumAvg: 4.795 atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } :: atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } ::sumAvg: 4.91 atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } :: atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } :: atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } :: atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } ::sumAvg: 4.71 atom: 1562 145W-HB2 B 3.23 ambi=2 { CB:29.6 } atom: 1583 146L-HG G 2.08 ambi=1 { CG:26.8 } :: atom: 1563 145W-HB3 B 3.56 ambi=2 { CB:29.6 } atom: 1583 146L-HG G 2.08 ambi=1 { CG:26.8 } ::sumAvg: 3.5 atom: 1564 145W-HD1 D1 7.36 ambi=1 { CD1:127 } atom: 1600 148V-HB B 1.8 ambi=1 { CB:33.1 } ::sumAvg: 4.96 atom: 1564 145W-HD1 D1 7.36 ambi=1 { CD1:127 } atom: 1601 148V-HG1 G1 0.75 ambi=2 { CG1:21.1 } :: atom: 1564 145W-HD1 D1 7.36 ambi=1 { CD1:127 } atom: 1602 148V-HG2 G2 0.93 ambi=2 { CG2:21.8 } ::sumAvg: 4.8 atom: 1601 148V-HG1 G1 0.75 ambi=2 { CG1:21.1 } atom: 1564 145W-HD1 D1 7.36 ambi=1 { CD1:127 } :: atom: 1602 148V-HG2 G2 0.93 ambi=2 { CG2:21.8 } atom: 1564 145W-HD1 D1 7.36 ambi=1 { CD1:127 } ::sumAvg: 4.8 atom: 1569 145W-HH2 H2 6.62 ambi=1 { CH2:122.7 } atom: 1565 145W-HE1 E1 9.7 ambi=1 { NE1:127.7 } ::sumAvg: 4.995 atom: 1566 145W-HE3 E3 7.08 ambi=1 { CE3:119.6 } atom: 1579 146L-H N 8.68 ambi=1 { N:118.8 } ::sumAvg: 3.04 atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } atom: 1566 145W-HE3 E3 7.08 ambi=1 { CE3:119.6 } :: atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } atom: 1566 145W-HE3 E3 7.08 ambi=1 { CE3:119.6 } ::sumAvg: 4.315 atom: 1583 146L-HG G 2.08 ambi=1 { CG:26.8 } atom: 1566 145W-HE3 E3 7.08 ambi=1 { CE3:119.6 } ::sumAvg: 2.53 atom: 1566 145W-HE3 E3 7.08 ambi=1 { CE3:119.6 } atom: 1621 150I-HG12 G1 0.82 ambi=2 { CG1:28.2 } :: atom: 1566 145W-HE3 E3 7.08 ambi=1 { CE3:119.6 } atom: 1622 150I-HG13 G1 1.49 ambi=2 { CG1:28.2 } ::sumAvg: 4.74 atom: 1621 150I-HG12 G1 0.82 ambi=2 { CG1:28.2 } atom: 1566 145W-HE3 E3 7.08 ambi=1 { CE3:119.6 } :: atom: 1622 150I-HG13 G1 1.49 ambi=2 { CG1:28.2 } atom: 1566 145W-HE3 E3 7.08 ambi=1 { CE3:119.6 } ::sumAvg: 4.74 atom: 1567 145W-HZ2 Z2 7.16 ambi=1 { CZ2:113.9 } atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } ::sumAvg: 4.33 atom: 1610 149E-HB2 B 0.27 ambi=2 { CB:29.2 } atom: 1567 145W-HZ2 Z2 7.16 ambi=1 { CZ2:113.9 } :: atom: 1611 149E-HB3 B 0.96 ambi=2 { CB:29.2 } atom: 1567 145W-HZ2 Z2 7.16 ambi=1 { CZ2:113.9 } ::sumAvg: 4.875 atom: 1580 146L-HA A 3.58 ambi=1 { CA:57.8 } atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } ::sumAvg: 3.69 atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } atom: 1583 146L-HG G 2.08 ambi=1 { CG:26.8 } ::sumAvg: 4.035 atom: 1583 146L-HG G 2.08 ambi=1 { CG:26.8 } atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } ::sumAvg: 4.035 atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } atom: 1621 150I-HG12 G1 0.82 ambi=2 { CG1:28.2 } :: atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } atom: 1622 150I-HG13 G1 1.49 ambi=2 { CG1:28.2 } ::sumAvg: 4.52 atom: 1621 150I-HG12 G1 0.82 ambi=2 { CG1:28.2 } atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } :: atom: 1622 150I-HG13 G1 1.49 ambi=2 { CG1:28.2 } atom: 1568 145W-HZ3 Z3 6.36 ambi=1 { CZ3:119.6 } ::sumAvg: 4.52 atom: 1569 145W-HH2 H2 6.62 ambi=1 { CH2:122.7 } atom: 1566 145W-HE3 E3 7.08 ambi=1 { CE3:119.6 } ::sumAvg: 4.25 atom: 1566 145W-HE3 E3 7.08 ambi=1 { CE3:119.6 } atom: 1569 145W-HH2 H2 6.62 ambi=1 { CH2:122.7 } ::sumAvg: 4.25 atom: 1612 149E-HG2 G 0.82 ambi=2 { CG:34.2 } atom: 1569 145W-HH2 H2 6.62 ambi=1 { CH2:122.7 } :: atom: 1613 149E-HG3 G 1.28 ambi=2 { CG:34.2 } atom: 1569 145W-HH2 H2 6.62 ambi=1 { CH2:122.7 } ::sumAvg: 4.98 atom: 1601 148V-HG1 G1 0.75 ambi=2 { CG1:21.1 } atom: 1579 146L-H N 8.68 ambi=1 { N:118.8 } :: atom: 1602 148V-HG2 G2 0.93 ambi=2 { CG2:21.8 } atom: 1579 146L-H N 8.68 ambi=1 { N:118.8 } ::sumAvg: 4.925 atom: 1580 146L-HA A 3.58 ambi=1 { CA:57.8 } atom: 1592 147A-H N 7.31 ambi=1 { N:115 } ::sumAvg: 3.535 atom: 1580 146L-HA A 3.58 ambi=1 { CA:57.8 } atom: 1598 148V-H N 6.91 ambi=1 { N:113.1 } ::sumAvg: 4.025 atom: 1610 149E-HB2 B 0.27 ambi=2 { CB:29.2 } atom: 1580 146L-HA A 3.58 ambi=1 { CA:57.8 } :: atom: 1611 149E-HB3 B 0.96 ambi=2 { CB:29.2 } atom: 1580 146L-HA A 3.58 ambi=1 { CA:57.8 } ::sumAvg: 4.845 atom: 1580 146L-HA A 3.58 ambi=1 { CA:57.8 } atom: 1620 150I-HB B 1.56 ambi=1 { CB:30.6 } ::sumAvg: 3.97 atom: 1580 146L-HA A 3.58 ambi=1 { CA:57.8 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } ::sumAvg: 4.93 atom: 1580 146L-HA A 3.58 ambi=1 { CA:57.8 } atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } ::sumAvg: 3.01 atom: 1580 146L-HA A 3.58 ambi=1 { CA:57.8 } atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } ::sumAvg: 4.62 atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } atom: 1593 147A-HA A 3.86 ambi=1 { CA:53.8 } :: atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } atom: 1593 147A-HA A 3.86 ambi=1 { CA:53.8 } ::sumAvg: 4.225 atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } atom: 1594 147A-HB B 1.43 ambi=1 { CB:18.2 } ::sumAvg: 3.895 atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } atom: 1598 148V-H N 6.91 ambi=1 { N:113.1 } :: atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } atom: 1598 148V-H N 6.91 ambi=1 { N:113.1 } ::sumAvg: 4.8 atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } atom: 1618 150I-H N 7.94 ambi=1 { N:115.7 } :: atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } atom: 1618 150I-H N 7.94 ambi=1 { N:115.7 } ::sumAvg: 4.815 atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } atom: 1620 150I-HB B 1.56 ambi=1 { CB:30.6 } ::sumAvg: 3.945 atom: 1620 150I-HB B 1.56 ambi=1 { CB:30.6 } atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } ::sumAvg: 3.945 atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } atom: 1621 150I-HG12 G1 0.82 ambi=2 { CG1:28.2 } :: atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } atom: 1621 150I-HG12 G1 0.82 ambi=2 { CG1:28.2 } :: atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } atom: 1622 150I-HG13 G1 1.49 ambi=2 { CG1:28.2 } ::sumAvg: 3.425 atom: 1621 150I-HG12 G1 0.82 ambi=2 { CG1:28.2 } atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } :: atom: 1621 150I-HG12 G1 0.82 ambi=2 { CG1:28.2 } atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } :: atom: 1622 150I-HG13 G1 1.49 ambi=2 { CG1:28.2 } atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } ::sumAvg: 3.425 atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } :: atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } ::sumAvg: 4.275 atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } :: atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } ::sumAvg: 3.315 atom: 1581 146L-HB2 B 1.24 ambi=2 { CB:42.6 } atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } :: atom: 1582 146L-HB3 B 2.04 ambi=2 { CB:42.6 } atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } ::sumAvg: 4.94 atom: 1583 146L-HG G 2.08 ambi=1 { CG:26.8 } atom: 1592 147A-H N 7.31 ambi=1 { N:115 } ::sumAvg: 4.445 atom: 1583 146L-HG G 2.08 ambi=1 { CG:26.8 } atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } ::sumAvg: 4.46 atom: 1620 150I-HB B 1.56 ambi=1 { CB:30.6 } atom: 1584 146L-HD1 D1 0.88 ambi=2 { CD1:23 } :: atom: 1620 150I-HB B 1.56 ambi=1 { CB:30.6 } atom: 1585 146L-HD2 D2 1.14 ambi=2 { CD2:27.6 } ::sumAvg: 4.245 atom: 1601 148V-HG1 G1 0.75 ambi=2 { CG1:21.1 } atom: 1592 147A-H N 7.31 ambi=1 { N:115 } :: atom: 1602 148V-HG2 G2 0.93 ambi=2 { CG2:21.8 } atom: 1592 147A-H N 7.31 ambi=1 { N:115 } ::sumAvg: 4.02 atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } atom: 1592 147A-H N 7.31 ambi=1 { N:115 } ::sumAvg: 4.82 atom: 1593 147A-HA A 3.86 ambi=1 { CA:53.8 } atom: 1601 148V-HG1 G1 0.75 ambi=2 { CG1:21.1 } :: atom: 1593 147A-HA A 3.86 ambi=1 { CA:53.8 } atom: 1602 148V-HG2 G2 0.93 ambi=2 { CG2:21.8 } ::sumAvg: 4.92 atom: 1593 147A-HA A 3.86 ambi=1 { CA:53.8 } atom: 1620 150I-HB B 1.56 ambi=1 { CB:30.6 } ::sumAvg: 3.865 atom: 1620 150I-HB B 1.56 ambi=1 { CB:30.6 } atom: 1593 147A-HA A 3.86 ambi=1 { CA:53.8 } ::sumAvg: 3.865 atom: 1593 147A-HA A 3.86 ambi=1 { CA:53.8 } atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } ::sumAvg: 4.975 atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } atom: 1593 147A-HA A 3.86 ambi=1 { CA:53.8 } ::sumAvg: 4.975 atom: 1634 151P-HG2 G 1.71 ambi=2 { CG:28.7 } atom: 1593 147A-HA A 3.86 ambi=1 { CA:53.8 } :: atom: 1635 151P-HG3 G 2.05 ambi=2 { CG:28.7 } atom: 1593 147A-HA A 3.86 ambi=1 { CA:53.8 } ::sumAvg: 3.74 atom: 1599 148V-HA A 3.87 ambi=1 { CA:63.4 } atom: 1594 147A-HB B 1.43 ambi=1 { CB:18.2 } ::sumAvg: 3.89 atom: 1594 147A-HB B 1.43 ambi=1 { CB:18.2 } atom: 1601 148V-HG1 G1 0.75 ambi=2 { CG1:21.1 } :: atom: 1594 147A-HB B 1.43 ambi=1 { CB:18.2 } atom: 1602 148V-HG2 G2 0.93 ambi=2 { CG2:21.8 } ::sumAvg: 3.215 atom: 1601 148V-HG1 G1 0.75 ambi=2 { CG1:21.1 } atom: 1594 147A-HB B 1.43 ambi=1 { CB:18.2 } :: atom: 1602 148V-HG2 G2 0.93 ambi=2 { CG2:21.8 } atom: 1594 147A-HB B 1.43 ambi=1 { CB:18.2 } ::sumAvg: 3.215 atom: 1635 151P-HG3 G 2.05 ambi=2 { CG:28.7 } atom: 1594 147A-HB B 1.43 ambi=1 { CB:18.2 } ::sumAvg: 4.165 atom: 1594 147A-HB B 1.43 ambi=1 { CB:18.2 } atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } ::sumAvg: 4.105 atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } atom: 1594 147A-HB B 1.43 ambi=1 { CB:18.2 } ::sumAvg: 4.105 atom: 1610 149E-HB2 B 0.27 ambi=2 { CB:29.2 } atom: 1598 148V-H N 6.91 ambi=1 { N:113.1 } :: atom: 1611 149E-HB3 B 0.96 ambi=2 { CB:29.2 } atom: 1598 148V-H N 6.91 ambi=1 { N:113.1 } ::sumAvg: 4.94 atom: 1599 148V-HA A 3.87 ambi=1 { CA:63.4 } atom: 1634 151P-HG2 G 1.71 ambi=2 { CG:28.7 } :: atom: 1599 148V-HA A 3.87 ambi=1 { CA:63.4 } atom: 1635 151P-HG3 G 2.05 ambi=2 { CG:28.7 } ::sumAvg: 4.435 atom: 1634 151P-HG2 G 1.71 ambi=2 { CG:28.7 } atom: 1599 148V-HA A 3.87 ambi=1 { CA:63.4 } :: atom: 1635 151P-HG3 G 2.05 ambi=2 { CG:28.7 } atom: 1599 148V-HA A 3.87 ambi=1 { CA:63.4 } ::sumAvg: 4.435 atom: 1609 149E-HA A 3.85 ambi=1 { CA:57.3 } atom: 1600 148V-HB B 1.8 ambi=1 { CB:33.1 } ::sumAvg: 4.565 atom: 1610 149E-HB2 B 0.27 ambi=2 { CB:29.2 } atom: 1600 148V-HB B 1.8 ambi=1 { CB:33.1 } :: atom: 1611 149E-HB3 B 0.96 ambi=2 { CB:29.2 } atom: 1600 148V-HB B 1.8 ambi=1 { CB:33.1 } ::sumAvg: 4.23 atom: 1601 148V-HG1 G1 0.75 ambi=2 { CG1:21.1 } atom: 1610 149E-HB2 B 0.27 ambi=2 { CB:29.2 } :: atom: 1602 148V-HG2 G2 0.93 ambi=2 { CG2:21.8 } atom: 1610 149E-HB2 B 0.27 ambi=2 { CB:29.2 } ::sumAvg: 3.6 atom: 1613 149E-HG3 G 1.28 ambi=2 { CG:34.2 } atom: 1601 148V-HG1 G1 0.75 ambi=2 { CG1:21.1 } ::sumAvg: 3.95 atom: 1601 148V-HG1 G1 0.75 ambi=2 { CG1:21.1 } atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } :: atom: 1602 148V-HG2 G2 0.93 ambi=2 { CG2:21.8 } atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } ::sumAvg: 4.755 atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } atom: 1601 148V-HG1 G1 0.75 ambi=2 { CG1:21.1 } :: atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } atom: 1602 148V-HG2 G2 0.93 ambi=2 { CG2:21.8 } ::sumAvg: 4.755 atom: 1609 149E-HA A 3.85 ambi=1 { CA:57.3 } atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } ::sumAvg: 3.61 atom: 1610 149E-HB2 B 0.27 ambi=2 { CB:29.2 } atom: 1619 150I-HA A 3.54 ambi=1 { CA:63.4 } :: atom: 1611 149E-HB3 B 0.96 ambi=2 { CB:29.2 } atom: 1619 150I-HA A 3.54 ambi=1 { CA:63.4 } ::sumAvg: 4.31 atom: 1619 150I-HA A 3.54 ambi=1 { CA:63.4 } atom: 1610 149E-HB2 B 0.27 ambi=2 { CB:29.2 } :: atom: 1619 150I-HA A 3.54 ambi=1 { CA:63.4 } atom: 1611 149E-HB3 B 0.96 ambi=2 { CB:29.2 } ::sumAvg: 4.31 atom: 1611 149E-HB3 B 0.96 ambi=2 { CB:29.2 } atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } ::sumAvg: 4.785 atom: 1610 149E-HB2 B 0.27 ambi=2 { CB:29.2 } atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } :: atom: 1611 149E-HB3 B 0.96 ambi=2 { CB:29.2 } atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } ::sumAvg: 4.605 atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } atom: 1610 149E-HB2 B 0.27 ambi=2 { CB:29.2 } :: atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } atom: 1611 149E-HB3 B 0.96 ambi=2 { CB:29.2 } ::sumAvg: 4.605 atom: 1610 149E-HB2 B 0.27 ambi=2 { CB:29.2 } atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } :: atom: 1611 149E-HB3 B 0.96 ambi=2 { CB:29.2 } atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } ::sumAvg: 4.45 atom: 1610 149E-HB2 B 0.27 ambi=2 { CB:29.2 } atom: 1651 153L-HB2 B 1.16 ambi=2 { CB:41.4 } :: atom: 1610 149E-HB2 B 0.27 ambi=2 { CB:29.2 } atom: 1652 153L-HB3 B 1.9 ambi=2 { CB:41.4 } :: atom: 1611 149E-HB3 B 0.96 ambi=2 { CB:29.2 } atom: 1652 153L-HB3 B 1.9 ambi=2 { CB:41.4 } ::sumAvg: 4.825 atom: 1610 149E-HB2 B 0.27 ambi=2 { CB:29.2 } atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } ::sumAvg: 4.03 atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } atom: 1610 149E-HB2 B 0.27 ambi=2 { CB:29.2 } ::sumAvg: 4.03 atom: 1612 149E-HG2 G 0.82 ambi=2 { CG:34.2 } atom: 1619 150I-HA A 3.54 ambi=1 { CA:63.4 } :: atom: 1613 149E-HG3 G 1.28 ambi=2 { CG:34.2 } atom: 1619 150I-HA A 3.54 ambi=1 { CA:63.4 } ::sumAvg: 4.75 atom: 1612 149E-HG2 G 0.82 ambi=2 { CG:34.2 } atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } :: atom: 1613 149E-HG3 G 1.28 ambi=2 { CG:34.2 } atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } ::sumAvg: 4.23 atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } atom: 1612 149E-HG2 G 0.82 ambi=2 { CG:34.2 } :: atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } atom: 1613 149E-HG3 G 1.28 ambi=2 { CG:34.2 } ::sumAvg: 4.23 atom: 1613 149E-HG3 G 1.28 ambi=2 { CG:34.2 } atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } :: atom: 1613 149E-HG3 G 1.28 ambi=2 { CG:34.2 } atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } ::sumAvg: 4.16 atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } atom: 1613 149E-HG3 G 1.28 ambi=2 { CG:34.2 } :: atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } atom: 1613 149E-HG3 G 1.28 ambi=2 { CG:34.2 } ::sumAvg: 4.16 atom: 1634 151P-HG2 G 1.71 ambi=2 { CG:28.7 } atom: 1618 150I-H N 7.94 ambi=1 { N:115.7 } :: atom: 1635 151P-HG3 G 2.05 ambi=2 { CG:28.7 } atom: 1618 150I-H N 7.94 ambi=1 { N:115.7 } ::sumAvg: 4.535 atom: 1619 150I-HA A 3.54 ambi=1 { CA:63.4 } atom: 1642 152D-H N 6.55 ambi=1 { N:115.9 } ::sumAvg: 4.285 atom: 1619 150I-HA A 3.54 ambi=1 { CA:63.4 } atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } ::sumAvg: 4.95 atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } atom: 1619 150I-HA A 3.54 ambi=1 { CA:63.4 } ::sumAvg: 4.95 atom: 1653 153L-HG G 1.91 ambi=1 { CG:26.2 } atom: 1619 150I-HA A 3.54 ambi=1 { CA:63.4 } ::sumAvg: 4.275 atom: 1619 150I-HA A 3.54 ambi=1 { CA:63.4 } atom: 1665 154I-HG12 G1 0.32 ambi=2 { CG1:29.2 } :: atom: 1619 150I-HA A 3.54 ambi=1 { CA:63.4 } atom: 1666 154I-HG13 G1 1.33 ambi=2 { CG1:29.2 } ::sumAvg: 4.205 atom: 1619 150I-HA A 3.54 ambi=1 { CA:63.4 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } ::sumAvg: 4.62 atom: 1631 151P-HA A 3.52 ambi=1 { CA:66.3 } atom: 1620 150I-HB B 1.56 ambi=1 { CB:30.6 } ::sumAvg: 4.57 atom: 1620 150I-HB B 1.56 ambi=1 { CB:30.6 } atom: 1635 151P-HG3 G 2.05 ambi=2 { CG:28.7 } ::sumAvg: 4.145 atom: 1635 151P-HG3 G 2.05 ambi=2 { CG:28.7 } atom: 1620 150I-HB B 1.56 ambi=1 { CB:30.6 } ::sumAvg: 4.145 atom: 1620 150I-HB B 1.56 ambi=1 { CB:30.6 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } ::sumAvg: 4.255 atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } atom: 1620 150I-HB B 1.56 ambi=1 { CB:30.6 } ::sumAvg: 4.255 atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } atom: 1621 150I-HG12 G1 0.82 ambi=2 { CG1:28.2 } :: atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } atom: 1622 150I-HG13 G1 1.49 ambi=2 { CG1:28.2 } ::sumAvg: 3.655 atom: 1622 150I-HG13 G1 1.49 ambi=2 { CG1:28.2 } atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } :: atom: 1622 150I-HG13 G1 1.49 ambi=2 { CG1:28.2 } atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } ::sumAvg: 4.26 atom: 1725 159I-HD1 D1 0.85 ambi=1 { CD1:14.6 } atom: 1622 150I-HG13 G1 1.49 ambi=2 { CG1:28.2 } ::sumAvg: 4.715 atom: 1631 151P-HA A 3.52 ambi=1 { CA:66.3 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } ::sumAvg: 3.3 atom: 1632 151P-HB2 B 1.66 ambi=2 { CB:30.6 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } :: atom: 1633 151P-HB3 B 2.07 ambi=2 { CB:30.6 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } ::sumAvg: 4.665 atom: 1634 151P-HG2 G 1.71 ambi=2 { CG:28.7 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } :: atom: 1635 151P-HG3 G 2.05 ambi=2 { CG:28.7 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } ::sumAvg: 4.42 atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } atom: 1642 152D-H N 6.55 ambi=1 { N:115.9 } ::sumAvg: 4.795 atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } atom: 1649 153L-H N 7.82 ambi=1 { N:118 } ::sumAvg: 4.425 atom: 1651 153L-HB2 B 1.16 ambi=2 { CB:41.4 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } :: atom: 1652 153L-HB3 B 1.9 ambi=2 { CB:41.4 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } ::sumAvg: 3.415 atom: 1653 153L-HG G 1.91 ambi=1 { CG:26.2 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } ::sumAvg: 4.99 atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } atom: 1663 154I-HA A 3.68 ambi=1 { CA:65.1 } ::sumAvg: 4.95 atom: 1663 154I-HA A 3.68 ambi=1 { CA:65.1 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } ::sumAvg: 4.95 atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } atom: 1664 154I-HB B 1.39 ambi=1 { CB:38.3 } ::sumAvg: 4.2 atom: 1664 154I-HB B 1.39 ambi=1 { CB:38.3 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } ::sumAvg: 4.2 atom: 1666 154I-HG13 G1 1.33 ambi=2 { CG1:29.2 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } ::sumAvg: 2.685 atom: 1721 159I-HB B 1.86 ambi=1 { CB:40.7 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } ::sumAvg: 4.01 atom: 1723 159I-HG13 G1 1.3 ambi=2 { CG1:25.3 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } ::sumAvg: 3.6 atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } ::sumAvg: 3.51 atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } atom: 1623 150I-HG2 G2 0.42 ambi=1 { CG2:18.6 } ::sumAvg: 3.51 atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } ::sumAvg: 3.955 atom: 1651 153L-HB2 B 1.16 ambi=2 { CB:41.4 } atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } :: atom: 1652 153L-HB3 B 1.9 ambi=2 { CB:41.4 } atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } ::sumAvg: 4.555 atom: 1722 159I-HG12 G1 0.81 ambi=2 { CG1:25.3 } atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } :: atom: 1723 159I-HG13 G1 1.3 ambi=2 { CG1:25.3 } atom: 1624 150I-HD1 D1 0.18 ambi=1 { CD1:8.6 } ::sumAvg: 4.945 atom: 1631 151P-HA A 3.52 ambi=1 { CA:66.3 } atom: 1643 152D-HA A 4.33 ambi=1 { CA:57.2 } ::sumAvg: 4.745 atom: 1643 152D-HA A 4.33 ambi=1 { CA:57.2 } atom: 1631 151P-HA A 3.52 ambi=1 { CA:66.3 } ::sumAvg: 4.745 atom: 1631 151P-HA A 3.52 ambi=1 { CA:66.3 } atom: 1649 153L-H N 7.82 ambi=1 { N:118 } ::sumAvg: 4.405 atom: 1631 151P-HA A 3.52 ambi=1 { CA:66.3 } atom: 1665 154I-HG12 G1 0.32 ambi=2 { CG1:29.2 } :: atom: 1631 151P-HA A 3.52 ambi=1 { CA:66.3 } atom: 1666 154I-HG13 G1 1.33 ambi=2 { CG1:29.2 } ::sumAvg: 3.44 atom: 1631 151P-HA A 3.52 ambi=1 { CA:66.3 } atom: 1675 155Q-H N 8.1 ambi=1 { N:121.6 } ::sumAvg: 4.165 atom: 1632 151P-HB2 B 1.66 ambi=2 { CB:30.6 } atom: 1643 152D-HA A 4.33 ambi=1 { CA:57.2 } :: atom: 1633 151P-HB3 B 2.07 ambi=2 { CB:30.6 } atom: 1643 152D-HA A 4.33 ambi=1 { CA:57.2 } ::sumAvg: 4.165 atom: 1632 151P-HB2 B 1.66 ambi=2 { CB:30.6 } atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } :: atom: 1633 151P-HB3 B 2.07 ambi=2 { CB:30.6 } atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } ::sumAvg: 4.88 atom: 1633 151P-HB3 B 2.07 ambi=2 { CB:30.6 } atom: 1664 154I-HB B 1.39 ambi=1 { CB:38.3 } ::sumAvg: 4.665 atom: 1664 154I-HB B 1.39 ambi=1 { CB:38.3 } atom: 1633 151P-HB3 B 2.07 ambi=2 { CB:30.6 } ::sumAvg: 4.665 atom: 1632 151P-HB2 B 1.66 ambi=2 { CB:30.6 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } :: atom: 1633 151P-HB3 B 2.07 ambi=2 { CB:30.6 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } ::sumAvg: 3.845 atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } atom: 1632 151P-HB2 B 1.66 ambi=2 { CB:30.6 } :: atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } atom: 1633 151P-HB3 B 2.07 ambi=2 { CB:30.6 } ::sumAvg: 3.845 atom: 1634 151P-HG2 G 1.71 ambi=2 { CG:28.7 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } :: atom: 1635 151P-HG3 G 2.05 ambi=2 { CG:28.7 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } ::sumAvg: 4.43 atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } ::sumAvg: 4.365 atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } ::sumAvg: 4.365 atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } atom: 1649 153L-H N 7.82 ambi=1 { N:118 } ::sumAvg: 4.35 atom: 1636 151P-QD D 3 ambi=2 { CD:49.4 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } ::sumAvg: 4.16 atom: 1651 153L-HB2 B 1.16 ambi=2 { CB:41.4 } atom: 1642 152D-H N 6.55 ambi=1 { N:115.9 } :: atom: 1652 153L-HB3 B 1.9 ambi=2 { CB:41.4 } atom: 1642 152D-H N 6.55 ambi=1 { N:115.9 } ::sumAvg: 4.49 atom: 1677 155Q-QB B 2.24 ambi=2 { CB:27.9 } atom: 1642 152D-H N 6.55 ambi=1 { N:115.9 } ::sumAvg: 4.89 atom: 1643 152D-HA A 4.33 ambi=1 { CA:57.2 } atom: 1650 153L-HA A 3.88 ambi=1 { CA:57.4 } ::sumAvg: 4.775 atom: 1650 153L-HA A 3.88 ambi=1 { CA:57.4 } atom: 1643 152D-HA A 4.33 ambi=1 { CA:57.2 } ::sumAvg: 4.775 atom: 1643 152D-HA A 4.33 ambi=1 { CA:57.2 } atom: 1662 154I-H N 8.16 ambi=1 { N:120.1 } ::sumAvg: 4.265 atom: 1651 153L-HB2 B 1.16 ambi=2 { CB:41.4 } atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } :: atom: 1652 153L-HB3 B 1.9 ambi=2 { CB:41.4 } atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } ::sumAvg: 4.195 atom: 1653 153L-HG G 1.91 ambi=1 { CG:26.2 } atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } ::sumAvg: 4.855 atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } atom: 1675 155Q-H N 8.1 ambi=1 { N:121.6 } ::sumAvg: 4.735 atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } atom: 1688 156K-H N 7.88 ambi=1 { N:115.9 } ::sumAvg: 4.67 atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } :: atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } atom: 1691 156K-HB3 B 2.04 ambi=2 { CB:34.1 } ::sumAvg: 4.61 atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } :: atom: 1691 156K-HB3 B 2.04 ambi=2 { CB:34.1 } atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } ::sumAvg: 4.61 atom: 1692 156K-HG2 G 1.45 ambi=2 { CG:26.3 } atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } :: atom: 1693 156K-HG3 G 1.66 ambi=2 { CG:26.3 } atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } ::sumAvg: 4.95 atom: 1694 156K-HD2 D 1.5 ambi=2 { CD:29.2 } atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } :: atom: 1695 156K-HD3 D 1.59 ambi=2 { CD:29.2 } atom: 1644 152D-QB B 2.55 ambi=2 { CB:41.7 } ::sumAvg: 4.435 atom: 1664 154I-HB B 1.39 ambi=1 { CB:38.3 } atom: 1649 153L-H N 7.82 ambi=1 { N:118 } ::sumAvg: 4.745 atom: 1665 154I-HG12 G1 0.32 ambi=2 { CG1:29.2 } atom: 1649 153L-H N 7.82 ambi=1 { N:118 } :: atom: 1666 154I-HG13 G1 1.33 ambi=2 { CG1:29.2 } atom: 1649 153L-H N 7.82 ambi=1 { N:118 } ::sumAvg: 4.405 atom: 1677 155Q-QB B 2.24 ambi=2 { CB:27.9 } atom: 1649 153L-H N 7.82 ambi=1 { N:118 } ::sumAvg: 4.83 atom: 1650 153L-HA A 3.88 ambi=1 { CA:57.4 } atom: 1675 155Q-H N 8.1 ambi=1 { N:121.6 } ::sumAvg: 4.48 atom: 1650 153L-HA A 3.88 ambi=1 { CA:57.4 } atom: 1677 155Q-QB B 2.24 ambi=2 { CB:27.9 } ::sumAvg: 4.98 atom: 1677 155Q-QB B 2.24 ambi=2 { CB:27.9 } atom: 1650 153L-HA A 3.88 ambi=1 { CA:57.4 } ::sumAvg: 4.98 atom: 1650 153L-HA A 3.88 ambi=1 { CA:57.4 } atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } :: atom: 1650 153L-HA A 3.88 ambi=1 { CA:57.4 } atom: 1691 156K-HB3 B 2.04 ambi=2 { CB:34.1 } ::sumAvg: 2.475 atom: 1650 153L-HA A 3.88 ambi=1 { CA:57.4 } atom: 1696 156K-QE E 2.92 ambi=2 { CE:41.8 } ::sumAvg: 4.535 atom: 1696 156K-QE E 2.92 ambi=2 { CE:41.8 } atom: 1650 153L-HA A 3.88 ambi=1 { CA:57.4 } ::sumAvg: 4.535 atom: 1650 153L-HA A 3.88 ambi=1 { CA:57.4 } atom: 1711 158V-HB B 2.17 ambi=1 { CB:32.2 } ::sumAvg: 4.435 atom: 1711 158V-HB B 2.17 ambi=1 { CB:32.2 } atom: 1650 153L-HA A 3.88 ambi=1 { CA:57.4 } ::sumAvg: 4.435 atom: 1650 153L-HA A 3.88 ambi=1 { CA:57.4 } atom: 1719 159I-H N 6.85 ambi=1 { N:112.3 } ::sumAvg: 4.785 atom: 1651 153L-HB2 B 1.16 ambi=2 { CB:41.4 } atom: 1663 154I-HA A 3.68 ambi=1 { CA:65.1 } :: atom: 1652 153L-HB3 B 1.9 ambi=2 { CB:41.4 } atom: 1663 154I-HA A 3.68 ambi=1 { CA:65.1 } ::sumAvg: 4.26 atom: 1651 153L-HB2 B 1.16 ambi=2 { CB:41.4 } atom: 1665 154I-HG12 G1 0.32 ambi=2 { CG1:29.2 } :: atom: 1652 153L-HB3 B 1.9 ambi=2 { CB:41.4 } atom: 1665 154I-HG12 G1 0.32 ambi=2 { CG1:29.2 } :: atom: 1652 153L-HB3 B 1.9 ambi=2 { CB:41.4 } atom: 1666 154I-HG13 G1 1.33 ambi=2 { CG1:29.2 } ::sumAvg: 3.67 atom: 1665 154I-HG12 G1 0.32 ambi=2 { CG1:29.2 } atom: 1651 153L-HB2 B 1.16 ambi=2 { CB:41.4 } :: atom: 1665 154I-HG12 G1 0.32 ambi=2 { CG1:29.2 } atom: 1652 153L-HB3 B 1.9 ambi=2 { CB:41.4 } :: atom: 1666 154I-HG13 G1 1.33 ambi=2 { CG1:29.2 } atom: 1652 153L-HB3 B 1.9 ambi=2 { CB:41.4 } ::sumAvg: 3.67 atom: 1651 153L-HB2 B 1.16 ambi=2 { CB:41.4 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } :: atom: 1652 153L-HB3 B 1.9 ambi=2 { CB:41.4 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } ::sumAvg: 4.915 atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } atom: 1651 153L-HB2 B 1.16 ambi=2 { CB:41.4 } :: atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } atom: 1652 153L-HB3 B 1.9 ambi=2 { CB:41.4 } ::sumAvg: 4.915 atom: 1651 153L-HB2 B 1.16 ambi=2 { CB:41.4 } atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } :: atom: 1651 153L-HB2 B 1.16 ambi=2 { CB:41.4 } atom: 1691 156K-HB3 B 2.04 ambi=2 { CB:34.1 } ::sumAvg: 4.685 atom: 1651 153L-HB2 B 1.16 ambi=2 { CB:41.4 } atom: 1711 158V-HB B 2.17 ambi=1 { CB:32.2 } ::sumAvg: 3.84 atom: 1651 153L-HB2 B 1.16 ambi=2 { CB:41.4 } atom: 1719 159I-H N 6.85 ambi=1 { N:112.3 } :: atom: 1652 153L-HB3 B 1.9 ambi=2 { CB:41.4 } atom: 1719 159I-H N 6.85 ambi=1 { N:112.3 } ::sumAvg: 4.045 atom: 1721 159I-HB B 1.86 ambi=1 { CB:40.7 } atom: 1651 153L-HB2 B 1.16 ambi=2 { CB:41.4 } ::sumAvg: 3.975 atom: 1653 153L-HG G 1.91 ambi=1 { CG:26.2 } atom: 1662 154I-H N 8.16 ambi=1 { N:120.1 } ::sumAvg: 4.635 atom: 1653 153L-HG G 1.91 ambi=1 { CG:26.2 } atom: 1694 156K-HD2 D 1.5 ambi=2 { CD:29.2 } ::sumAvg: 4.505 atom: 1694 156K-HD2 D 1.5 ambi=2 { CD:29.2 } atom: 1653 153L-HG G 1.91 ambi=1 { CG:26.2 } ::sumAvg: 4.505 atom: 1653 153L-HG G 1.91 ambi=1 { CG:26.2 } atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } ::sumAvg: 3.155 atom: 1653 153L-HG G 1.91 ambi=1 { CG:26.2 } atom: 1719 159I-H N 6.85 ambi=1 { N:112.3 } ::sumAvg: 4.94 atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } atom: 1666 154I-HG13 G1 1.33 ambi=2 { CG1:29.2 } :: atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } atom: 1665 154I-HG12 G1 0.32 ambi=2 { CG1:29.2 } :: atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } atom: 1666 154I-HG13 G1 1.33 ambi=2 { CG1:29.2 } ::sumAvg: 4.865 atom: 1666 154I-HG13 G1 1.33 ambi=2 { CG1:29.2 } atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } :: atom: 1665 154I-HG12 G1 0.32 ambi=2 { CG1:29.2 } atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } :: atom: 1666 154I-HG13 G1 1.33 ambi=2 { CG1:29.2 } atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } ::sumAvg: 4.865 atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } :: atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } atom: 1691 156K-HB3 B 2.04 ambi=2 { CB:34.1 } :: atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } :: atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } atom: 1691 156K-HB3 B 2.04 ambi=2 { CB:34.1 } ::sumAvg: 3.085 atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } :: atom: 1691 156K-HB3 B 2.04 ambi=2 { CB:34.1 } atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } :: atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } :: atom: 1691 156K-HB3 B 2.04 ambi=2 { CB:34.1 } atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } ::sumAvg: 3.085 atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } atom: 1719 159I-H N 6.85 ambi=1 { N:112.3 } :: atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } atom: 1719 159I-H N 6.85 ambi=1 { N:112.3 } ::sumAvg: 4.66 atom: 1654 153L-HD1 D1 0.66 ambi=2 { CD1:26.1 } atom: 1723 159I-HG13 G1 1.3 ambi=2 { CG1:25.3 } :: atom: 1655 153L-HD2 D2 0.73 ambi=2 { CD2:22.9 } atom: 1723 159I-HG13 G1 1.3 ambi=2 { CG1:25.3 } ::sumAvg: 3.335 atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } atom: 1662 154I-H N 8.16 ambi=1 { N:120.1 } :: atom: 1691 156K-HB3 B 2.04 ambi=2 { CB:34.1 } atom: 1662 154I-H N 8.16 ambi=1 { N:120.1 } ::sumAvg: 4.94 atom: 1721 159I-HB B 1.86 ambi=1 { CB:40.7 } atom: 1662 154I-H N 8.16 ambi=1 { N:120.1 } ::sumAvg: 4.405 atom: 1722 159I-HG12 G1 0.81 ambi=2 { CG1:25.3 } atom: 1662 154I-H N 8.16 ambi=1 { N:120.1 } :: atom: 1723 159I-HG13 G1 1.3 ambi=2 { CG1:25.3 } atom: 1662 154I-H N 8.16 ambi=1 { N:120.1 } ::sumAvg: 4.245 atom: 1663 154I-HA A 3.68 ambi=1 { CA:65.1 } atom: 1688 156K-H N 7.88 ambi=1 { N:115.9 } ::sumAvg: 4.18 atom: 1663 154I-HA A 3.68 ambi=1 { CA:65.1 } atom: 1706 157G-HA3 A 4.11 ambi=2 { CA:45.6 } ::sumAvg: 3.985 atom: 1663 154I-HA A 3.68 ambi=1 { CA:65.1 } atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } ::sumAvg: 3.67 atom: 1663 154I-HA A 3.68 ambi=1 { CA:65.1 } atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } ::sumAvg: 4.54 atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } atom: 1663 154I-HA A 3.68 ambi=1 { CA:65.1 } ::sumAvg: 4.54 atom: 1721 159I-HB B 1.86 ambi=1 { CB:40.7 } atom: 1663 154I-HA A 3.68 ambi=1 { CA:65.1 } ::sumAvg: 3.05 atom: 1722 159I-HG12 G1 0.81 ambi=2 { CG1:25.3 } atom: 1663 154I-HA A 3.68 ambi=1 { CA:65.1 } :: atom: 1723 159I-HG13 G1 1.3 ambi=2 { CG1:25.3 } atom: 1663 154I-HA A 3.68 ambi=1 { CA:65.1 } ::sumAvg: 3.915 atom: 1663 154I-HA A 3.68 ambi=1 { CA:65.1 } atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } ::sumAvg: 4.39 atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } atom: 1663 154I-HA A 3.68 ambi=1 { CA:65.1 } ::sumAvg: 4.39 atom: 1664 154I-HB B 1.39 ambi=1 { CB:38.3 } atom: 1676 155Q-HA A 4.04 ambi=1 { CA:58.8 } ::sumAvg: 4.45 atom: 1676 155Q-HA A 4.04 ambi=1 { CA:58.8 } atom: 1664 154I-HB B 1.39 ambi=1 { CB:38.3 } ::sumAvg: 4.45 atom: 1664 154I-HB B 1.39 ambi=1 { CB:38.3 } atom: 1677 155Q-QB B 2.24 ambi=2 { CB:27.9 } ::sumAvg: 4.335 atom: 1677 155Q-QB B 2.24 ambi=2 { CB:27.9 } atom: 1664 154I-HB B 1.39 ambi=1 { CB:38.3 } ::sumAvg: 4.335 atom: 1664 154I-HB B 1.39 ambi=1 { CB:38.3 } atom: 1679 155Q-QG G 2.49 ambi=2 { CG:33.7 } ::sumAvg: 4.745 atom: 1679 155Q-QG G 2.49 ambi=2 { CG:33.7 } atom: 1664 154I-HB B 1.39 ambi=1 { CB:38.3 } ::sumAvg: 4.745 atom: 1664 154I-HB B 1.39 ambi=1 { CB:38.3 } atom: 1688 156K-H N 7.88 ambi=1 { N:115.9 } ::sumAvg: 4.915 atom: 1665 154I-HG12 G1 0.32 ambi=2 { CG1:29.2 } atom: 1675 155Q-H N 8.1 ambi=1 { N:121.6 } :: atom: 1666 154I-HG13 G1 1.33 ambi=2 { CG1:29.2 } atom: 1675 155Q-H N 8.1 ambi=1 { N:121.6 } ::sumAvg: 4.3 atom: 1665 154I-HG12 G1 0.32 ambi=2 { CG1:29.2 } atom: 1719 159I-H N 6.85 ambi=1 { N:112.3 } :: atom: 1666 154I-HG13 G1 1.33 ambi=2 { CG1:29.2 } atom: 1719 159I-H N 6.85 ambi=1 { N:112.3 } ::sumAvg: 4.77 atom: 1665 154I-HG12 G1 0.32 ambi=2 { CG1:29.2 } atom: 1721 159I-HB B 1.86 ambi=1 { CB:40.7 } :: atom: 1666 154I-HG13 G1 1.33 ambi=2 { CG1:29.2 } atom: 1721 159I-HB B 1.86 ambi=1 { CB:40.7 } ::sumAvg: 2.985 atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } atom: 1665 154I-HG12 G1 0.32 ambi=2 { CG1:29.2 } ::sumAvg: 3.345 atom: 1667 154I-HG2 G2 0.81 ambi=1 { CG2:16.7 } atom: 1705 157G-HA2 A 3.97 ambi=2 { CA:45.6 } :: atom: 1667 154I-HG2 G2 0.81 ambi=1 { CG2:16.7 } atom: 1706 157G-HA3 A 4.11 ambi=2 { CA:45.6 } ::sumAvg: 4.5 atom: 1705 157G-HA2 A 3.97 ambi=2 { CA:45.6 } atom: 1667 154I-HG2 G2 0.81 ambi=1 { CG2:16.7 } :: atom: 1706 157G-HA3 A 4.11 ambi=2 { CA:45.6 } atom: 1667 154I-HG2 G2 0.81 ambi=1 { CG2:16.7 } ::sumAvg: 4.5 atom: 1667 154I-HG2 G2 0.81 ambi=1 { CG2:16.7 } atom: 1721 159I-HB B 1.86 ambi=1 { CB:40.7 } ::sumAvg: 4.04 atom: 1747 161H-HB2 B 2.59 ambi=2 { CB:30.1 } atom: 1667 154I-HG2 G2 0.81 ambi=1 { CG2:16.7 } :: atom: 1748 161H-HB3 B 2.88 ambi=2 { CB:30.1 } atom: 1667 154I-HG2 G2 0.81 ambi=1 { CG2:16.7 } ::sumAvg: 4.95 atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } atom: 1721 159I-HB B 1.86 ambi=1 { CB:40.7 } ::sumAvg: 4.375 atom: 1721 159I-HB B 1.86 ambi=1 { CB:40.7 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } ::sumAvg: 4.375 atom: 1722 159I-HG12 G1 0.81 ambi=2 { CG1:25.3 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } :: atom: 1723 159I-HG13 G1 1.3 ambi=2 { CG1:25.3 } atom: 1668 154I-HD1 D1 0.01 ambi=1 { CD1:14.9 } ::sumAvg: 4.56 atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } atom: 1675 155Q-H N 8.1 ambi=1 { N:121.6 } :: atom: 1691 156K-HB3 B 2.04 ambi=2 { CB:34.1 } atom: 1675 155Q-H N 8.1 ambi=1 { N:121.6 } ::sumAvg: 4.73 atom: 1676 155Q-HA A 4.04 ambi=1 { CA:58.8 } atom: 1681 155Q-HE21 E2 7.42 ambi=2 { NE2:111.2 } :: atom: 1676 155Q-HA A 4.04 ambi=1 { CA:58.8 } atom: 1682 155Q-HE22 E2 6.84 ambi=2 { NE2:111.2 } ::sumAvg: 4.165 atom: 1677 155Q-QB B 2.24 ambi=2 { CB:27.9 } atom: 1681 155Q-HE21 E2 7.42 ambi=2 { NE2:111.2 } :: atom: 1677 155Q-QB B 2.24 ambi=2 { CB:27.9 } atom: 1682 155Q-HE22 E2 6.84 ambi=2 { NE2:111.2 } ::sumAvg: 3.095 atom: 1689 156K-HA A 4.19 ambi=1 { CA:56.9 } atom: 1677 155Q-QB B 2.24 ambi=2 { CB:27.9 } ::sumAvg: 4.03 atom: 1677 155Q-QB B 2.24 ambi=2 { CB:27.9 } atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } ::sumAvg: 4.4 atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } atom: 1677 155Q-QB B 2.24 ambi=2 { CB:27.9 } ::sumAvg: 4.4 atom: 1692 156K-HG2 G 1.45 ambi=2 { CG:26.3 } atom: 1677 155Q-QB B 2.24 ambi=2 { CB:27.9 } :: atom: 1693 156K-HG3 G 1.66 ambi=2 { CG:26.3 } atom: 1677 155Q-QB B 2.24 ambi=2 { CB:27.9 } ::sumAvg: 4.56 atom: 1679 155Q-QG G 2.49 ambi=2 { CG:33.7 } atom: 1689 156K-HA A 4.19 ambi=1 { CA:56.9 } ::sumAvg: 4.725 atom: 1689 156K-HA A 4.19 ambi=1 { CA:56.9 } atom: 1679 155Q-QG G 2.49 ambi=2 { CG:33.7 } ::sumAvg: 4.725 atom: 1705 157G-HA2 A 3.97 ambi=2 { CA:45.6 } atom: 1688 156K-H N 7.88 ambi=1 { N:115.9 } :: atom: 1706 157G-HA3 A 4.11 ambi=2 { CA:45.6 } atom: 1688 156K-H N 7.88 ambi=1 { N:115.9 } ::sumAvg: 4.765 atom: 1689 156K-HA A 4.19 ambi=1 { CA:56.9 } atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } ::sumAvg: 4.9 atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } atom: 1696 156K-QE E 2.92 ambi=2 { CE:41.8 } :: atom: 1691 156K-HB3 B 2.04 ambi=2 { CB:34.1 } atom: 1696 156K-QE E 2.92 ambi=2 { CE:41.8 } ::sumAvg: 3.95 atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } atom: 1705 157G-HA2 A 3.97 ambi=2 { CA:45.6 } :: atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } atom: 1706 157G-HA3 A 4.11 ambi=2 { CA:45.6 } :: atom: 1691 156K-HB3 B 2.04 ambi=2 { CB:34.1 } atom: 1705 157G-HA2 A 3.97 ambi=2 { CA:45.6 } :: atom: 1691 156K-HB3 B 2.04 ambi=2 { CB:34.1 } atom: 1706 157G-HA3 A 4.11 ambi=2 { CA:45.6 } ::sumAvg: 4.87 atom: 1705 157G-HA2 A 3.97 ambi=2 { CA:45.6 } atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } :: atom: 1706 157G-HA3 A 4.11 ambi=2 { CA:45.6 } atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } :: atom: 1705 157G-HA2 A 3.97 ambi=2 { CA:45.6 } atom: 1691 156K-HB3 B 2.04 ambi=2 { CB:34.1 } :: atom: 1706 157G-HA3 A 4.11 ambi=2 { CA:45.6 } atom: 1691 156K-HB3 B 2.04 ambi=2 { CB:34.1 } ::sumAvg: 4.87 atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } atom: 1711 158V-HB B 2.17 ambi=1 { CB:32.2 } ::sumAvg: 4.545 atom: 1711 158V-HB B 2.17 ambi=1 { CB:32.2 } atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } ::sumAvg: 4.545 atom: 1690 156K-HB2 B 1.76 ambi=2 { CB:34.1 } atom: 1719 159I-H N 6.85 ambi=1 { N:112.3 } :: atom: 1691 156K-HB3 B 2.04 ambi=2 { CB:34.1 } atom: 1719 159I-H N 6.85 ambi=1 { N:112.3 } ::sumAvg: 4.855 atom: 1692 156K-HG2 G 1.45 ambi=2 { CG:26.3 } atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } :: atom: 1693 156K-HG3 G 1.66 ambi=2 { CG:26.3 } atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } ::sumAvg: 4.705 atom: 1692 156K-HG2 G 1.45 ambi=2 { CG:26.3 } atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } :: atom: 1693 156K-HG3 G 1.66 ambi=2 { CG:26.3 } atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } ::sumAvg: 3.515 atom: 1694 156K-HD2 D 1.5 ambi=2 { CD:29.2 } atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } :: atom: 1695 156K-HD3 D 1.59 ambi=2 { CD:29.2 } atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } ::sumAvg: 4.91 atom: 1710 158V-HA A 4.04 ambi=1 { CA:63.3 } atom: 1704 157G-H N 7.93 ambi=1 { N:108 } ::sumAvg: 4.96 atom: 1705 157G-HA2 A 3.97 ambi=2 { CA:45.6 } atom: 1719 159I-H N 6.85 ambi=1 { N:112.3 } :: atom: 1706 157G-HA3 A 4.11 ambi=2 { CA:45.6 } atom: 1719 159I-H N 6.85 ambi=1 { N:112.3 } ::sumAvg: 3.8 atom: 1720 159I-HA A 4.64 ambi=1 { CA:59.4 } atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } ::sumAvg: 4.88 atom: 1721 159I-HB B 1.86 ambi=1 { CB:40.7 } atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } ::sumAvg: 4.59 atom: 1722 159I-HG12 G1 0.81 ambi=2 { CG1:25.3 } atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } :: atom: 1723 159I-HG13 G1 1.3 ambi=2 { CG1:25.3 } atom: 1709 158V-H N 7.79 ambi=1 { N:115.2 } ::sumAvg: 3.935 atom: 1710 158V-HA A 4.04 ambi=1 { CA:63.3 } atom: 1720 159I-HA A 4.64 ambi=1 { CA:59.4 } ::sumAvg: 4.595 atom: 1720 159I-HA A 4.64 ambi=1 { CA:59.4 } atom: 1710 158V-HA A 4.04 ambi=1 { CA:63.3 } ::sumAvg: 4.595 atom: 1710 158V-HA A 4.04 ambi=1 { CA:63.3 } atom: 1722 159I-HG12 G1 0.81 ambi=2 { CG1:25.3 } :: atom: 1710 158V-HA A 4.04 ambi=1 { CA:63.3 } atom: 1723 159I-HG13 G1 1.3 ambi=2 { CG1:25.3 } ::sumAvg: 4.995 atom: 1722 159I-HG12 G1 0.81 ambi=2 { CG1:25.3 } atom: 1710 158V-HA A 4.04 ambi=1 { CA:63.3 } :: atom: 1723 159I-HG13 G1 1.3 ambi=2 { CG1:25.3 } atom: 1710 158V-HA A 4.04 ambi=1 { CA:63.3 } ::sumAvg: 4.995 atom: 1711 158V-HB B 2.17 ambi=1 { CB:32.2 } atom: 1720 159I-HA A 4.64 ambi=1 { CA:59.4 } ::sumAvg: 4.6 atom: 1720 159I-HA A 4.64 ambi=1 { CA:59.4 } atom: 1711 158V-HB B 2.17 ambi=1 { CB:32.2 } ::sumAvg: 4.6 atom: 1711 158V-HB B 2.17 ambi=1 { CB:32.2 } atom: 1722 159I-HG12 G1 0.81 ambi=2 { CG1:25.3 } :: atom: 1711 158V-HB B 2.17 ambi=1 { CB:32.2 } atom: 1723 159I-HG13 G1 1.3 ambi=2 { CG1:25.3 } ::sumAvg: 3.915 atom: 1711 158V-HB B 2.17 ambi=1 { CB:32.2 } atom: 1725 159I-HD1 D1 0.85 ambi=1 { CD1:14.6 } ::sumAvg: 4.695 atom: 1720 159I-HA A 4.64 ambi=1 { CA:59.4 } atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } ::sumAvg: 3.56 atom: 1721 159I-HB B 1.86 ambi=1 { CB:40.7 } atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } ::sumAvg: 4.105 atom: 1712 158V-QG G 1 ambi=2 { QCG:21.8 } atom: 1732 160Q-H N 8.64 ambi=1 { N:121.6 } ::sumAvg: 4.94 atom: 1720 159I-HA A 4.64 ambi=1 { CA:59.4 } atom: 1734 160Q-HB2 B 1.92 ambi=2 { CB:31.6 } :: atom: 1720 159I-HA A 4.64 ambi=1 { CA:59.4 } atom: 1735 160Q-HB3 B 2.09 ambi=2 { CB:31.6 } ::sumAvg: 4.615 atom: 1734 160Q-HB2 B 1.92 ambi=2 { CB:31.6 } atom: 1720 159I-HA A 4.64 ambi=1 { CA:59.4 } :: atom: 1735 160Q-HB3 B 2.09 ambi=2 { CB:31.6 } atom: 1720 159I-HA A 4.64 ambi=1 { CA:59.4 } ::sumAvg: 4.615 atom: 1720 159I-HA A 4.64 ambi=1 { CA:59.4 } atom: 1736 160Q-HG2 G 2.32 ambi=2 { CG:33.7 } :: atom: 1720 159I-HA A 4.64 ambi=1 { CA:59.4 } atom: 1737 160Q-HG3 G 2.35 ambi=2 { CG:33.7 } ::sumAvg: 4.98 atom: 1736 160Q-HG2 G 2.32 ambi=2 { CG:33.7 } atom: 1720 159I-HA A 4.64 ambi=1 { CA:59.4 } :: atom: 1737 160Q-HG3 G 2.35 ambi=2 { CG:33.7 } atom: 1720 159I-HA A 4.64 ambi=1 { CA:59.4 } ::sumAvg: 4.98 atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } atom: 1733 160Q-HA A 4.83 ambi=1 { CA:54.4 } ::sumAvg: 3.745 atom: 1733 160Q-HA A 4.83 ambi=1 { CA:54.4 } atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } ::sumAvg: 3.745 atom: 1736 160Q-HG2 G 2.32 ambi=2 { CG:33.7 } atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } :: atom: 1737 160Q-HG3 G 2.35 ambi=2 { CG:33.7 } atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } ::sumAvg: 4.825 atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } atom: 1746 161H-HA A 4.05 ambi=1 { CA:57.3 } ::sumAvg: 4.755 atom: 1746 161H-HA A 4.05 ambi=1 { CA:57.3 } atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } ::sumAvg: 4.755 atom: 1747 161H-HB2 B 2.59 ambi=2 { CB:30.1 } atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } :: atom: 1748 161H-HB3 B 2.88 ambi=2 { CB:30.1 } atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } ::sumAvg: 4.375 atom: 1749 161H-HD2 D2 7.31 ambi=1 { CD2:120.5 } atom: 1724 159I-HG2 G2 0.95 ambi=1 { CG2:18.1 } ::sumAvg: 4.795 atom: 1733 160Q-HA A 4.83 ambi=1 { CA:54.4 } atom: 1746 161H-HA A 4.05 ambi=1 { CA:57.3 } ::sumAvg: 4.46 atom: 1746 161H-HA A 4.05 ambi=1 { CA:57.3 } atom: 1733 160Q-HA A 4.83 ambi=1 { CA:54.4 } ::sumAvg: 4.46 atom: 1733 160Q-HA A 4.83 ambi=1 { CA:54.4 } atom: 1747 161H-HB2 B 2.59 ambi=2 { CB:30.1 } :: atom: 1733 160Q-HA A 4.83 ambi=1 { CA:54.4 } atom: 1748 161H-HB3 B 2.88 ambi=2 { CB:30.1 } ::sumAvg: 4.995 atom: 1747 161H-HB2 B 2.59 ambi=2 { CB:30.1 } atom: 1733 160Q-HA A 4.83 ambi=1 { CA:54.4 } :: atom: 1748 161H-HB3 B 2.88 ambi=2 { CB:30.1 } atom: 1733 160Q-HA A 4.83 ambi=1 { CA:54.4 } ::sumAvg: 4.995 atom: 1733 160Q-HA A 4.83 ambi=1 { CA:54.4 } atom: 1754 162K-H N 8.48 ambi=1 { N:123.6 } ::sumAvg: 4.82 atom: 1746 161H-HA A 4.05 ambi=1 { CA:57.3 } atom: 1734 160Q-HB2 B 1.92 ambi=2 { CB:31.6 } :: atom: 1746 161H-HA A 4.05 ambi=1 { CA:57.3 } atom: 1735 160Q-HB3 B 2.09 ambi=2 { CB:31.6 } ::sumAvg: 4.795 atom: 1734 160Q-HB2 B 1.92 ambi=2 { CB:31.6 } atom: 1754 162K-H N 8.48 ambi=1 { N:123.6 } :: atom: 1735 160Q-HB3 B 2.09 ambi=2 { CB:31.6 } atom: 1754 162K-H N 8.48 ambi=1 { N:123.6 } ::sumAvg: 4.865 atom: 1736 160Q-HG2 G 2.32 ambi=2 { CG:33.7 } atom: 1746 161H-HA A 4.05 ambi=1 { CA:57.3 } :: atom: 1737 160Q-HG3 G 2.35 ambi=2 { CG:33.7 } atom: 1746 161H-HA A 4.05 ambi=1 { CA:57.3 } ::sumAvg: 4.99 atom: 1746 161H-HA A 4.05 ambi=1 { CA:57.3 } atom: 1736 160Q-HG2 G 2.32 ambi=2 { CG:33.7 } :: atom: 1746 161H-HA A 4.05 ambi=1 { CA:57.3 } atom: 1737 160Q-HG3 G 2.35 ambi=2 { CG:33.7 } ::sumAvg: 4.99 atom: 1749 161H-HD2 D2 7.31 ambi=1 { CD2:120.5 } atom: 1745 161H-H N 8.65 ambi=1 { N:122.1 } ::sumAvg: 4.455 atom: 1755 162K-HA A 4.24 ambi=1 { CA:56.7 } atom: 1745 161H-H N 8.65 ambi=1 { N:122.1 } ::sumAvg: 4.9 atom: 1746 161H-HA A 4.05 ambi=1 { CA:57.3 } atom: 1749 161H-HD2 D2 7.31 ambi=1 { CD2:120.5 } ::sumAvg: 3.63 atom: 1749 161H-HD2 D2 7.31 ambi=1 { CD2:120.5 } atom: 1746 161H-HA A 4.05 ambi=1 { CA:57.3 } ::sumAvg: 3.63 atom: 1746 161H-HA A 4.05 ambi=1 { CA:57.3 } atom: 1756 162K-QB B 1.7 ambi=2 { CB:33.5 } ::sumAvg: 4.67 atom: 1746 161H-HA A 4.05 ambi=1 { CA:57.3 } atom: 1758 162K-QG G 1.38 ambi=2 { CG:24.8 } ::sumAvg: 4.705 atom: 1758 162K-QG G 1.38 ambi=2 { CG:24.8 } atom: 1746 161H-HA A 4.05 ambi=1 { CA:57.3 } ::sumAvg: 4.705 atom: 1747 161H-HB2 B 2.59 ambi=2 { CB:30.1 } atom: 1749 161H-HD2 D2 7.31 ambi=1 { CD2:120.5 } :: atom: 1748 161H-HB3 B 2.88 ambi=2 { CB:30.1 } atom: 1749 161H-HD2 D2 7.31 ambi=1 { CD2:120.5 } ::sumAvg: 3.25 atom: 1749 161H-HD2 D2 7.31 ambi=1 { CD2:120.5 } atom: 1747 161H-HB2 B 2.59 ambi=2 { CB:30.1 } :: atom: 1749 161H-HD2 D2 7.31 ambi=1 { CD2:120.5 } atom: 1748 161H-HB3 B 2.88 ambi=2 { CB:30.1 } ::sumAvg: 3.25 atom: 1747 161H-HB2 B 2.59 ambi=2 { CB:30.1 } atom: 1756 162K-QB B 1.7 ambi=2 { CB:33.5 } :: atom: 1748 161H-HB3 B 2.88 ambi=2 { CB:30.1 } atom: 1756 162K-QB B 1.7 ambi=2 { CB:33.5 } ::sumAvg: 4.97 atom: 1756 162K-QB B 1.7 ambi=2 { CB:33.5 } atom: 1747 161H-HB2 B 2.59 ambi=2 { CB:30.1 } :: atom: 1756 162K-QB B 1.7 ambi=2 { CB:33.5 } atom: 1748 161H-HB3 B 2.88 ambi=2 { CB:30.1 } ::sumAvg: 4.97 atom: 1747 161H-HB2 B 2.59 ambi=2 { CB:30.1 } atom: 1758 162K-QG G 1.38 ambi=2 { CG:24.8 } :: atom: 1748 161H-HB3 B 2.88 ambi=2 { CB:30.1 } atom: 1758 162K-QG G 1.38 ambi=2 { CG:24.8 } ::sumAvg: 4.87 atom: 1758 162K-QG G 1.38 ambi=2 { CG:24.8 } atom: 1747 161H-HB2 B 2.59 ambi=2 { CB:30.1 } :: atom: 1758 162K-QG G 1.38 ambi=2 { CG:24.8 } atom: 1748 161H-HB3 B 2.88 ambi=2 { CB:30.1 } ::sumAvg: 4.87 atom: 1747 161H-HB2 B 2.59 ambi=2 { CB:30.1 } atom: 1770 163E-H N 8.55 ambi=1 { N:119.4 } :: atom: 1748 161H-HB3 B 2.88 ambi=2 { CB:30.1 } atom: 1770 163E-H N 8.55 ambi=1 { N:119.4 } ::sumAvg: 4.805 atom: 1755 162K-HA A 4.24 ambi=1 { CA:56.7 } atom: 1774 163E-QG G 2.2 ambi=2 { CG:36 } ::sumAvg: 4.8 atom: 1756 162K-QB B 1.7 ambi=2 { CB:33.5 } atom: 1771 163E-HA A 4.39 ambi=1 { CA:55.9 } ::sumAvg: 4.685 atom: 1756 162K-QB B 1.7 ambi=2 { CB:33.5 } atom: 1774 163E-QG G 2.2 ambi=2 { CG:36 } ::sumAvg: 4.38 atom: 1758 162K-QG G 1.38 ambi=2 { CG:24.8 } atom: 1772 163E-HB2 B 1.93 ambi=2 { CB:31 } :: atom: 1758 162K-QG G 1.38 ambi=2 { CG:24.8 } atom: 1773 163E-HB3 B 2.09 ambi=2 { CB:31 } ::sumAvg: 4.58 atom: 1772 163E-HB2 B 1.93 ambi=2 { CB:31 } atom: 1758 162K-QG G 1.38 ambi=2 { CG:24.8 } :: atom: 1773 163E-HB3 B 2.09 ambi=2 { CB:31 } atom: 1758 162K-QG G 1.38 ambi=2 { CG:24.8 } ::sumAvg: 4.58 atom: 1758 162K-QG G 1.38 ambi=2 { CG:24.8 } atom: 1774 163E-QG G 2.2 ambi=2 { CG:36 } ::sumAvg: 4.415 atom: 1774 163E-QG G 2.2 ambi=2 { CG:36 } atom: 1758 162K-QG G 1.38 ambi=2 { CG:24.8 } ::sumAvg: 4.415 atom: 1774 163E-QG G 2.2 ambi=2 { CG:36 } atom: 1760 162K-QD D 1.6 ambi=2 { CD:29.2 } ::sumAvg: 4.925 atom: 1781 164K-HA A 4.4 ambi=1 { CA:56.3 } atom: 1788 164K-QE E 2.95 ambi=2 { CE:41.8 } ::sumAvg: 4.33 atom: 1781 164K-HA A 4.4 ambi=1 { CA:56.3 } atom: 1798 165C-HB2 B 2.81 ambi=2 { CB:27.8 } :: atom: 1781 164K-HA A 4.4 ambi=1 { CA:56.3 } atom: 1799 165C-HB3 B 2.88 ambi=2 { CB:27.8 } ::sumAvg: 4.9 atom: 1797 165C-HA A 4.42 ambi=1 { CA:58.6 } atom: 1782 164K-HB2 B 1.72 ambi=2 { CB:32.8 } :: atom: 1797 165C-HA A 4.42 ambi=1 { CA:58.6 } atom: 1783 164K-HB3 B 1.85 ambi=2 { CB:32.8 } ::sumAvg: 4.43 atom: 1798 165C-HB2 B 2.81 ambi=2 { CB:27.8 } atom: 1782 164K-HB2 B 1.72 ambi=2 { CB:32.8 } :: atom: 1799 165C-HB3 B 2.88 ambi=2 { CB:27.8 } atom: 1782 164K-HB2 B 1.72 ambi=2 { CB:32.8 } :: atom: 1798 165C-HB2 B 2.81 ambi=2 { CB:27.8 } atom: 1783 164K-HB3 B 1.85 ambi=2 { CB:32.8 } :: atom: 1799 165C-HB3 B 2.88 ambi=2 { CB:27.8 } atom: 1783 164K-HB3 B 1.85 ambi=2 { CB:32.8 } ::sumAvg: 4.385 atom: 1782 164K-HB2 B 1.72 ambi=2 { CB:32.8 } atom: 1803 166N-H N 8.55 ambi=1 { N:121 } :: atom: 1783 164K-HB3 B 1.85 ambi=2 { CB:32.8 } atom: 1803 166N-H N 8.55 ambi=1 { N:121 } ::sumAvg: 4.93 atom: 1798 165C-HB2 B 2.81 ambi=2 { CB:27.8 } atom: 1804 166N-HA A 4.67 ambi=1 { CA:53.2 } :: atom: 1799 165C-HB3 B 2.88 ambi=2 { CB:27.8 } atom: 1804 166N-HA A 4.67 ambi=1 { CA:53.2 } ::sumAvg: 4.835 atom: 1804 166N-HA A 4.67 ambi=1 { CA:53.2 } atom: 1807 166N-HD21 D2 7.61 ambi=2 { ND2:112.7 } :: atom: 1804 166N-HA A 4.67 ambi=1 { CA:53.2 } atom: 1808 166N-HD22 D2 6.91 ambi=2 { ND2:112.7 } ::sumAvg: 3.525 atom: 1804 166N-HA A 4.67 ambi=1 { CA:53.2 } atom: 1814 167Q-HA A 4.26 ambi=1 { CA:56 } ::sumAvg: 4.5 atom: 1814 167Q-HA A 4.26 ambi=1 { CA:56 } atom: 1804 166N-HA A 4.67 ambi=1 { CA:53.2 } ::sumAvg: 4.5 atom: 1804 166N-HA A 4.67 ambi=1 { CA:53.2 } atom: 1817 167Q-QG G 2.31 ambi=2 { CG:33.7 } ::sumAvg: 4.92 atom: 1817 167Q-QG G 2.31 ambi=2 { CG:33.7 } atom: 1804 166N-HA A 4.67 ambi=1 { CA:53.2 } ::sumAvg: 4.92 atom: 1805 166N-HB2 B 2.77 ambi=2 { CB:38.6 } atom: 1814 167Q-HA A 4.26 ambi=1 { CA:56 } :: atom: 1806 166N-HB3 B 2.83 ambi=2 { CB:38.6 } atom: 1814 167Q-HA A 4.26 ambi=1 { CA:56 } ::sumAvg: 4.815 atom: 1814 167Q-HA A 4.26 ambi=1 { CA:56 } atom: 1805 166N-HB2 B 2.77 ambi=2 { CB:38.6 } :: atom: 1814 167Q-HA A 4.26 ambi=1 { CA:56 } atom: 1806 166N-HB3 B 2.83 ambi=2 { CB:38.6 } ::sumAvg: 4.815 atom: 1805 166N-HB2 B 2.77 ambi=2 { CB:38.6 } atom: 1817 167Q-QG G 2.31 ambi=2 { CG:33.7 } :: atom: 1806 166N-HB3 B 2.83 ambi=2 { CB:38.6 } atom: 1817 167Q-QG G 2.31 ambi=2 { CG:33.7 } ::sumAvg: 4.47 atom: 1817 167Q-QG G 2.31 ambi=2 { CG:33.7 } atom: 1805 166N-HB2 B 2.77 ambi=2 { CB:38.6 } :: atom: 1817 167Q-QG G 2.31 ambi=2 { CG:33.7 } atom: 1806 166N-HB3 B 2.83 ambi=2 { CB:38.6 } ::sumAvg: 4.47 atom: 1814 167Q-HA A 4.26 ambi=1 { CA:56 } atom: 1819 167Q-HE21 E2 7.5 ambi=2 { NE2:112.3 } :: atom: 1814 167Q-HA A 4.26 ambi=1 { CA:56 } atom: 1820 167Q-HE22 E2 6.84 ambi=2 { NE2:112.3 } ::sumAvg: 4.695 atom: 1815 167Q-HB2 B 1.94 ambi=2 { CB:29.2 } atom: 1819 167Q-HE21 E2 7.5 ambi=2 { NE2:112.3 } :: atom: 1815 167Q-HB2 B 1.94 ambi=2 { CB:29.2 } atom: 1820 167Q-HE22 E2 6.84 ambi=2 { NE2:112.3 } :: atom: 1816 167Q-HB3 B 2.08 ambi=2 { CB:29.2 } atom: 1819 167Q-HE21 E2 7.5 ambi=2 { NE2:112.3 } :: atom: 1816 167Q-HB3 B 2.08 ambi=2 { CB:29.2 } atom: 1820 167Q-HE22 E2 6.84 ambi=2 { NE2:112.3 } ::sumAvg: 4.365