# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 2 2S-H N 8.27 ambi=1 { N:115.9 } atom: 15 3I-HG2 G2 0.9 ambi=1 { CG2:17.9 } ::sumAvg: 4.55 atom: 32 5T-H N 8.11 ambi=1 { N:114 } atom: 13 3I-HG12 G1 1.46 ambi=2 { CG1:27.2 } :: atom: 32 5T-H N 8.11 ambi=1 { N:114 } atom: 14 3I-HG13 G1 1.15 ambi=2 { CG1:27.2 } ::sumAvg: 4.925 atom: 10 3I-H N 8.15 ambi=1 { N:121.7 } atom: 3 2S-HA A 4.51 ambi=1 { CA:58.2 } ::sumAvg: 2.855 atom: 10 3I-H N 8.15 ambi=1 { N:121.7 } atom: 15 3I-HG2 G2 0.9 ambi=1 { CG2:17.9 } ::sumAvg: 3.355 atom: 10 3I-H N 8.15 ambi=1 { N:121.7 } atom: 16 3I-HD1 D1 0.81 ambi=1 { CD1:13.2 } ::sumAvg: 3.675 atom: 10 3I-H N 8.15 ambi=1 { N:121.7 } atom: 24 4S-H N 8.58 ambi=1 { N:120.4 } ::sumAvg: 4.315 atom: 32 5T-H N 8.11 ambi=1 { N:114 } atom: 12 3I-HB B 1.82 ambi=1 { CB:38.9 } ::sumAvg: 4.32 atom: 24 4S-H N 8.58 ambi=1 { N:120.4 } atom: 16 3I-HD1 D1 0.81 ambi=1 { CD1:13.2 } ::sumAvg: 4.01 atom: 24 4S-H N 8.58 ambi=1 { N:120.4 } atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } ::sumAvg: 4.365 atom: 32 5T-H N 8.11 ambi=1 { N:114 } atom: 56 8E-H N 7.51 ambi=1 { N:114.5 } ::sumAvg: 4.1 atom: 56 8E-H N 7.51 ambi=1 { N:114.5 } atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } ::sumAvg: 4.75 atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } ::sumAvg: 4.78 atom: 41 6S-H N 8.78 ambi=1 { N:118.6 } atom: 56 8E-H N 7.51 ambi=1 { N:114.5 } ::sumAvg: 4.375 atom: 56 8E-H N 7.51 ambi=1 { N:114.5 } atom: 41 6S-H N 8.78 ambi=1 { N:118.6 } ::sumAvg: 4.375 atom: 41 6S-H N 8.78 ambi=1 { N:118.6 } atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } ::sumAvg: 4.87 atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } atom: 41 6S-H N 8.78 ambi=1 { N:118.6 } ::sumAvg: 4.87 atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } ::sumAvg: 4.47 atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } atom: 70 9V-HG1 G1 0.89 ambi=2 { CG1:22.5 } :: atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } atom: 71 9V-HG2 G2 0.68 ambi=2 { CG2:20.7 } ::sumAvg: 4.82 atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 4.745 atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } :: atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } ::sumAvg: 3.66 atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } :: atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } ::sumAvg: 4.06 atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } :: atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } ::sumAvg: 3.24 atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } atom: 1367 115V-HG1 G1 0.92 ambi=2 { CG1:23.4 } :: atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } ::sumAvg: 4.665 atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 4.66 atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } ::sumAvg: 4.335 atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } ::sumAvg: 4.41 atom: 78 10Y-H N 8.18 ambi=1 { N:117.8 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } ::sumAvg: 4.9 atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } ::sumAvg: 4.975 atom: 56 8E-H N 7.51 ambi=1 { N:114.5 } atom: 78 10Y-H N 8.18 ambi=1 { N:117.8 } ::sumAvg: 4.405 atom: 92 11Y-H N 8.11 ambi=1 { N:120 } atom: 56 8E-H N 7.51 ambi=1 { N:114.5 } ::sumAvg: 4.73 atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } :: atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } ::sumAvg: 4.77 atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 4.75 atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } :: atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } ::sumAvg: 4.93 atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } atom: 106 12E-H N 8.31 ambi=1 { N:117.6 } ::sumAvg: 4.745 atom: 106 12E-H N 8.31 ambi=1 { N:117.6 } atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } ::sumAvg: 4.745 atom: 106 12E-H N 8.31 ambi=1 { N:117.6 } atom: 70 9V-HG1 G1 0.89 ambi=2 { CG1:22.5 } :: atom: 106 12E-H N 8.31 ambi=1 { N:117.6 } atom: 71 9V-HG2 G2 0.68 ambi=2 { CG2:20.7 } ::sumAvg: 4.925 atom: 78 10Y-H N 8.18 ambi=1 { N:117.8 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } ::sumAvg: 4.78 atom: 78 10Y-H N 8.18 ambi=1 { N:117.8 } atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } :: atom: 78 10Y-H N 8.18 ambi=1 { N:117.8 } atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } ::sumAvg: 4.73 atom: 92 11Y-H N 8.11 ambi=1 { N:120 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 4.525 atom: 117 13E-H N 8.27 ambi=1 { N:119.8 } atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } :: atom: 117 13E-H N 8.27 ambi=1 { N:119.8 } atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } ::sumAvg: 4.955 atom: 92 11Y-H N 8.11 ambi=1 { N:120 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.61 atom: 117 13E-H N 8.27 ambi=1 { N:119.8 } atom: 93 11Y-HA A 3.74 ambi=1 { CA:63.3 } ::sumAvg: 4.475 atom: 1289 109E-H N 7.31 ambi=1 { N:123 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } ::sumAvg: 4.935 atom: 106 12E-H N 8.31 ambi=1 { N:117.6 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.675 atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } atom: 107 12E-HA A 3.97 ambi=1 { CA:59 } ::sumAvg: 4.27 atom: 185 19S-H N 8.18 ambi=1 { N:115.9 } atom: 187 19S-QB B 4.04 ambi=2 { CB:62.8 } ::sumAvg: 2.465 atom: 117 13E-H N 8.27 ambi=1 { N:119.8 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.275 atom: 117 13E-H N 8.27 ambi=1 { N:119.8 } atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } ::sumAvg: 4.76 atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } atom: 117 13E-H N 8.27 ambi=1 { N:119.8 } ::sumAvg: 4.76 atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } atom: 137 15E-HB2 B 2.32 ambi=2 { CB:30.2 } :: atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } atom: 138 15E-HB3 B 1.99 ambi=2 { CB:30.2 } ::sumAvg: 4.74 atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } ::sumAvg: 3.995 atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 4.65 atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } :: atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } ::sumAvg: 4.645 atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 4.355 atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } ::sumAvg: 4.25 atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } ::sumAvg: 4.405 atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } ::sumAvg: 4.385 atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.42 atom: 157 17F-H N 8.03 ambi=1 { N:119.5 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.58 atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.55 atom: 320 31Y-H N 8.23 ambi=1 { N:118.8 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.725 atom: 135 15E-H N 7.94 ambi=1 { N:116.7 } atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } ::sumAvg: 4.675 atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } atom: 135 15E-H N 7.94 ambi=1 { N:116.7 } ::sumAvg: 4.675 atom: 135 15E-H N 7.94 ambi=1 { N:116.7 } atom: 173 18L-HB2 B 1.6 ambi=2 { CB:41.6 } :: atom: 135 15E-H N 7.94 ambi=1 { N:116.7 } atom: 174 18L-HB3 B 2.13 ambi=2 { CB:41.6 } ::sumAvg: 4.975 atom: 135 15E-H N 7.94 ambi=1 { N:116.7 } atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } :: atom: 135 15E-H N 7.94 ambi=1 { N:116.7 } atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } ::sumAvg: 4.715 atom: 185 19S-H N 8.18 ambi=1 { N:115.9 } atom: 136 15E-HA A 3.96 ambi=1 { CA:58.7 } ::sumAvg: 4.015 atom: 157 17F-H N 8.03 ambi=1 { N:119.5 } atom: 136 15E-HA A 3.96 ambi=1 { CA:58.7 } ::sumAvg: 4.28 atom: 185 19S-H N 8.18 ambi=1 { N:115.9 } atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } ::sumAvg: 4.73 atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } :: atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } ::sumAvg: 4.835 atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 4.845 atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } ::sumAvg: 4.03 atom: 185 19S-H N 8.18 ambi=1 { N:115.9 } atom: 147 16E-HA A 4.05 ambi=1 { CA:58.9 } ::sumAvg: 3.555 atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } atom: 148 16E-HB2 B 1.99 ambi=2 { CB:28.1 } :: atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } ::sumAvg: 4.865 atom: 157 17F-H N 8.03 ambi=1 { N:119.5 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } ::sumAvg: 4.795 atom: 185 19S-H N 8.18 ambi=1 { N:115.9 } atom: 158 17F-HA A 4.37 ambi=1 { CA:62 } ::sumAvg: 4.155 atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } atom: 158 17F-HA A 4.37 ambi=1 { CA:62 } ::sumAvg: 4.14 atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } atom: 158 17F-HA A 4.37 ambi=1 { CA:62 } ::sumAvg: 3.715 atom: 193 20K-H N 7.41 ambi=1 { N:118.7 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } :: atom: 193 20K-H N 7.41 ambi=1 { N:118.7 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } ::sumAvg: 4.99 atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } :: atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } ::sumAvg: 4.955 atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } :: atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } ::sumAvg: 3.59 atom: 249 25Q-H N 7.42 ambi=1 { N:116.2 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } :: atom: 249 25Q-H N 7.42 ambi=1 { N:116.2 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } ::sumAvg: 4.3 atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 4.455 atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 4.36 atom: 263 26A-H N 7.98 ambi=1 { N:119.8 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 3.955 atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 4.885 atom: 255 25Q-HE21 E2 7.67 ambi=2 { NE2:113.7 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } :: atom: 256 25Q-HE22 E2 6.72 ambi=2 { NE2:113.7 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } ::sumAvg: 4.565 atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } atom: 193 20K-H N 7.41 ambi=1 { N:118.7 } ::sumAvg: 3.825 atom: 193 20K-H N 7.41 ambi=1 { N:118.7 } atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } ::sumAvg: 3.825 atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } ::sumAvg: 4.655 atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } ::sumAvg: 4.99 atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } atom: 264 26A-HA A 3.87 ambi=1 { CA:56.2 } ::sumAvg: 4.235 atom: 193 20K-H N 7.41 ambi=1 { N:118.7 } atom: 172 18L-HA A 3.79 ambi=1 { CA:58.7 } ::sumAvg: 4.2 atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } :: atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } ::sumAvg: 4.59 atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } :: atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } ::sumAvg: 4.85 atom: 249 25Q-H N 7.42 ambi=1 { N:116.2 } atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } :: atom: 249 25Q-H N 7.42 ambi=1 { N:116.2 } atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } ::sumAvg: 3.805 atom: 263 26A-H N 7.98 ambi=1 { N:119.8 } atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } :: atom: 263 26A-H N 7.98 ambi=1 { N:119.8 } atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } ::sumAvg: 3.965 atom: 193 20K-H N 7.41 ambi=1 { N:118.7 } atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } ::sumAvg: 4.12 atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } atom: 194 20K-HA A 4.45 ambi=1 { CA:56 } ::sumAvg: 4.78 atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } ::sumAvg: 4.9 atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } ::sumAvg: 4.435 atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } :: atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } ::sumAvg: 4.42 atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } ::sumAvg: 4.85 atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } atom: 229 23L-HD1 D1 0.87 ambi=2 { CD1:25.3 } :: atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } atom: 230 23L-HD2 D2 0.77 ambi=2 { CD2:23.1 } ::sumAvg: 4.665 atom: 224 23L-H N 7.89 ambi=1 { N:121.7 } atom: 211 21G-HA2 A 4.29 ambi=2 { CA:45.5 } :: atom: 224 23L-H N 7.89 ambi=1 { N:121.7 } atom: 212 21G-HA3 A 3.72 ambi=2 { CA:45.5 } ::sumAvg: 4.96 atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } atom: 225 23L-HA A 3.89 ambi=1 { CA:58.1 } ::sumAvg: 4.64 atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } atom: 228 23L-HG G 1.76 ambi=1 { CG:27.3 } ::sumAvg: 4.87 atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } atom: 229 23L-HD1 D1 0.87 ambi=2 { CD1:25.3 } :: atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } atom: 230 23L-HD2 D2 0.77 ambi=2 { CD2:23.1 } ::sumAvg: 4.215 atom: 249 25Q-H N 7.42 ambi=1 { N:116.2 } atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } ::sumAvg: 4.51 atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } atom: 264 26A-HA A 3.87 ambi=1 { CA:56.2 } ::sumAvg: 4.535 atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } atom: 264 26A-HA A 3.87 ambi=1 { CA:56.2 } ::sumAvg: 4.24 atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 4.495 atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 4.63 atom: 224 23L-H N 7.89 ambi=1 { N:121.7 } atom: 240 24V-HB B 1.99 ambi=1 { CB:31.9 } ::sumAvg: 4.65 atom: 224 23L-H N 7.89 ambi=1 { N:121.7 } atom: 249 25Q-H N 7.42 ambi=1 { N:116.2 } ::sumAvg: 4.505 atom: 249 25Q-H N 7.42 ambi=1 { N:116.2 } atom: 224 23L-H N 7.89 ambi=1 { N:121.7 } ::sumAvg: 4.505 atom: 238 24V-H N 8.25 ambi=1 { N:119.7 } atom: 225 23L-HA A 3.89 ambi=1 { CA:58.1 } ::sumAvg: 3.43 atom: 249 25Q-H N 7.42 ambi=1 { N:116.2 } atom: 225 23L-HA A 3.89 ambi=1 { CA:58.1 } ::sumAvg: 4.605 atom: 270 27C-H N 8.35 ambi=1 { N:114.1 } atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } :: atom: 270 27C-H N 8.35 ambi=1 { N:114.1 } atom: 227 23L-HB3 B 1.4 ambi=2 { CB:41.6 } ::sumAvg: 4.86 atom: 238 24V-H N 8.25 ambi=1 { N:119.7 } atom: 228 23L-HG G 1.76 ambi=1 { CG:27.3 } ::sumAvg: 4.45 atom: 238 24V-H N 8.25 ambi=1 { N:119.7 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 4.305 atom: 238 24V-H N 8.25 ambi=1 { N:119.7 } atom: 253 25Q-HG2 G 1.77 ambi=2 { CG:35.3 } :: atom: 238 24V-H N 8.25 ambi=1 { N:119.7 } atom: 254 25Q-HG3 G 2.09 ambi=2 { CG:35.3 } ::sumAvg: 4.75 atom: 255 25Q-HE21 E2 7.67 ambi=2 { NE2:113.7 } atom: 240 24V-HB B 1.99 ambi=1 { CB:31.9 } :: atom: 256 25Q-HE22 E2 6.72 ambi=2 { NE2:113.7 } atom: 240 24V-HB B 1.99 ambi=1 { CB:31.9 } ::sumAvg: 4.715 atom: 270 27C-H N 8.35 ambi=1 { N:114.1 } atom: 241 24V-HG1 G1 0.86 ambi=2 { CG1:21 } :: atom: 270 27C-H N 8.35 ambi=1 { N:114.1 } atom: 242 24V-HG2 G2 1.05 ambi=2 { CG2:23 } ::sumAvg: 4.845 atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } atom: 241 24V-HG1 G1 0.86 ambi=2 { CG1:21 } :: atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } atom: 242 24V-HG2 G2 1.05 ambi=2 { CG2:23 } ::sumAvg: 4.305 atom: 249 25Q-H N 7.42 ambi=1 { N:116.2 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 4.17 atom: 249 25Q-H N 7.42 ambi=1 { N:116.2 } atom: 256 25Q-HE22 E2 6.72 ambi=2 { NE2:113.7 } ::sumAvg: 4.545 atom: 256 25Q-HE22 E2 6.72 ambi=2 { NE2:113.7 } atom: 249 25Q-H N 7.42 ambi=1 { N:116.2 } ::sumAvg: 4.545 atom: 270 27C-H N 8.35 ambi=1 { N:114.1 } atom: 250 25Q-HA A 3.76 ambi=1 { CA:58.8 } ::sumAvg: 4.425 atom: 263 26A-H N 7.98 ambi=1 { N:119.8 } atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } ::sumAvg: 4.115 atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } atom: 263 26A-H N 7.98 ambi=1 { N:119.8 } ::sumAvg: 4.115 atom: 525 48K-H N 8.04 ambi=1 { N:126.3 } atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } ::sumAvg: 4.615 atom: 525 48K-H N 8.04 ambi=1 { N:126.3 } atom: 502 46N-HB2 B 2.63 ambi=2 { CB:37.4 } :: atom: 525 48K-H N 8.04 ambi=1 { N:126.3 } atom: 503 46N-HB3 B 3.17 ambi=2 { CB:37.4 } ::sumAvg: 4.43 atom: 270 27C-H N 8.35 ambi=1 { N:114.1 } atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } ::sumAvg: 4.48 atom: 270 27C-H N 8.35 ambi=1 { N:114.1 } atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } ::sumAvg: 4.14 atom: 270 27C-H N 8.35 ambi=1 { N:114.1 } atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } ::sumAvg: 4.805 atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } atom: 270 27C-H N 8.35 ambi=1 { N:114.1 } ::sumAvg: 4.805 atom: 270 27C-H N 8.35 ambi=1 { N:114.1 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 4.855 atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } atom: 271 27C-HA A 4.1 ambi=1 { CA:66.5 } ::sumAvg: 4.25 atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } atom: 271 27C-HA A 4.1 ambi=1 { CA:66.5 } ::sumAvg: 3.405 atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } ::sumAvg: 4.33 atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } atom: 320 31Y-H N 8.23 ambi=1 { N:118.8 } ::sumAvg: 4.67 atom: 320 31Y-H N 8.23 ambi=1 { N:118.8 } atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } ::sumAvg: 4.67 atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } atom: 279 28E-HA A 4.48 ambi=1 { CA:57.9 } ::sumAvg: 4.695 atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } atom: 279 28E-HA A 4.48 ambi=1 { CA:57.9 } ::sumAvg: 4.31 atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } ::sumAvg: 4.84 atom: 320 31Y-H N 8.23 ambi=1 { N:118.8 } atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } ::sumAvg: 4.975 atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } atom: 282 28E-HG2 G 2.28 ambi=2 { CG:34.2 } :: atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } atom: 283 28E-HG3 G 2.02 ambi=2 { CG:34.2 } ::sumAvg: 4.09 atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 3.345 atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.745 atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } ::sumAvg: 4.72 atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } :: atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } ::sumAvg: 4.85 atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } ::sumAvg: 3.445 atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } :: atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } ::sumAvg: 4.765 atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 4.845 atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 3.58 atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } :: atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } ::sumAvg: 4.7 atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } ::sumAvg: 4.165 atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } ::sumAvg: 4.165 atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } atom: 351 33A-H N 8.37 ambi=1 { N:121.2 } ::sumAvg: 4.58 atom: 351 33A-H N 8.37 ambi=1 { N:121.2 } atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } ::sumAvg: 4.58 atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } ::sumAvg: 4.52 atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } ::sumAvg: 4.225 atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } ::sumAvg: 4 atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } ::sumAvg: 4.99 atom: 351 33A-H N 8.37 ambi=1 { N:121.2 } atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } ::sumAvg: 4.495 atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } ::sumAvg: 4.825 atom: 320 31Y-H N 8.23 ambi=1 { N:118.8 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 3.755 atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 4.675 atom: 1272 108K-H N 9 ambi=1 { N:117.3 } atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } ::sumAvg: 4.57 atom: 320 31Y-H N 8.23 ambi=1 { N:118.8 } atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } :: atom: 320 31Y-H N 8.23 ambi=1 { N:118.8 } atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } ::sumAvg: 4.735 atom: 320 31Y-H N 8.23 ambi=1 { N:118.8 } atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } ::sumAvg: 4.54 atom: 320 31Y-H N 8.23 ambi=1 { N:118.8 } atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } ::sumAvg: 4.79 atom: 320 31Y-H N 8.23 ambi=1 { N:118.8 } atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } ::sumAvg: 4.705 atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } atom: 321 31Y-HA A 4.07 ambi=1 { CA:62.3 } ::sumAvg: 3.54 atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } atom: 321 31Y-HA A 4.07 ambi=1 { CA:62.3 } ::sumAvg: 4.245 atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } :: atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } ::sumAvg: 2.48 atom: 351 33A-H N 8.37 ambi=1 { N:121.2 } atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } :: atom: 351 33A-H N 8.37 ambi=1 { N:121.2 } atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } ::sumAvg: 4.825 atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } ::sumAvg: 4.825 atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } ::sumAvg: 4.985 atom: 1058 90H-H N 7.46 ambi=1 { N:117.1 } atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } ::sumAvg: 4.815 atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } ::sumAvg: 4.255 atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } ::sumAvg: 4.855 atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } ::sumAvg: 4.65 atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } ::sumAvg: 4.65 atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } ::sumAvg: 4.33 atom: 351 33A-H N 8.37 ambi=1 { N:121.2 } atom: 338 32K-HG2 G 1.3 ambi=2 { CG:25 } :: atom: 351 33A-H N 8.37 ambi=1 { N:121.2 } atom: 339 32K-HG3 G 1.2 ambi=2 { CG:25 } ::sumAvg: 4.255 atom: 351 33A-H N 8.37 ambi=1 { N:121.2 } atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } ::sumAvg: 2.23 atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } atom: 351 33A-H N 8.37 ambi=1 { N:121.2 } ::sumAvg: 2.675 atom: 351 33A-H N 8.37 ambi=1 { N:121.2 } atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } ::sumAvg: 4.32 atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } atom: 352 33A-HA A 4.17 ambi=1 { CA:56 } ::sumAvg: 4.445 atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } ::sumAvg: 4.735 atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } atom: 376 36E-H N 8.37 ambi=1 { N:115.9 } ::sumAvg: 4.13 atom: 376 36E-H N 8.37 ambi=1 { N:115.9 } atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } ::sumAvg: 4.13 atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } ::sumAvg: 4.66 atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } ::sumAvg: 4.66 atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 4.61 atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } ::sumAvg: 4.835 atom: 376 36E-H N 8.37 ambi=1 { N:115.9 } atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } ::sumAvg: 4.455 atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } ::sumAvg: 4.135 atom: 376 36E-H N 8.37 ambi=1 { N:115.9 } atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } ::sumAvg: 4.525 atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } ::sumAvg: 4.09 atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } ::sumAvg: 4.09 atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 4.745 atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } ::sumAvg: 4.81 atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } ::sumAvg: 4.81 atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 4.665 atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } ::sumAvg: 4.895 atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } ::sumAvg: 4.385 atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } ::sumAvg: 4.11 atom: 376 36E-H N 8.37 ambi=1 { N:115.9 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } ::sumAvg: 4.795 atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } ::sumAvg: 4.355 atom: 425 40L-H N 7.89 ambi=1 { N:118 } atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } ::sumAvg: 4.175 atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } atom: 396 38I-HB B 1.92 ambi=1 { CB:34.4 } ::sumAvg: 4.84 atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } atom: 397 38I-HG12 G1 0.87 ambi=2 { CG1:27.4 } :: atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } ::sumAvg: 4.43 atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } ::sumAvg: 4.25 atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } ::sumAvg: 4.25 atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } atom: 425 40L-H N 7.89 ambi=1 { N:118 } ::sumAvg: 4.82 atom: 425 40L-H N 7.89 ambi=1 { N:118 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } ::sumAvg: 4.82 atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } ::sumAvg: 4.87 atom: 1403 118A-H N 8.37 ambi=1 { N:122.9 } atom: 388 37A-HA A 3.87 ambi=1 { CA:55.4 } ::sumAvg: 4.685 atom: 425 40L-H N 7.89 ambi=1 { N:118 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 4.66 atom: 439 41L-H N 8.13 ambi=1 { N:119.5 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 4.795 atom: 1389 117F-H N 8.13 ambi=1 { N:119.6 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 4.765 atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } ::sumAvg: 4.61 atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 4.245 atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } ::sumAvg: 4.26 atom: 425 40L-H N 7.89 ambi=1 { N:118 } atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } ::sumAvg: 4.265 atom: 425 40L-H N 7.89 ambi=1 { N:118 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } ::sumAvg: 4.775 atom: 439 41L-H N 8.13 ambi=1 { N:119.5 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } ::sumAvg: 4.44 atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } ::sumAvg: 4.375 atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } ::sumAvg: 4.41 atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } ::sumAvg: 4.61 atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } ::sumAvg: 2.34 atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } atom: 414 39K-HD2 D 1.64 ambi=2 { CD:28.8 } :: atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } atom: 415 39K-HD3 D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 4.32 atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } ::sumAvg: 4.705 atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } ::sumAvg: 4.675 atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } ::sumAvg: 4.675 atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 4.405 atom: 425 40L-H N 7.89 ambi=1 { N:118 } atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } ::sumAvg: 3 atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } ::sumAvg: 4.595 atom: 425 40L-H N 7.89 ambi=1 { N:118 } atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } :: atom: 425 40L-H N 7.89 ambi=1 { N:118 } atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } ::sumAvg: 3.54 atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } :: atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } ::sumAvg: 4.06 atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } atom: 414 39K-HD2 D 1.64 ambi=2 { CD:28.8 } :: atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } atom: 415 39K-HD3 D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 4.12 atom: 425 40L-H N 7.89 ambi=1 { N:118 } atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } ::sumAvg: 4.915 atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } ::sumAvg: 3.755 atom: 425 40L-H N 7.89 ambi=1 { N:118 } atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } :: atom: 425 40L-H N 7.89 ambi=1 { N:118 } atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } ::sumAvg: 4.505 atom: 425 40L-H N 7.89 ambi=1 { N:118 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } ::sumAvg: 4.005 atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } atom: 425 40L-H N 7.89 ambi=1 { N:118 } ::sumAvg: 4.005 atom: 425 40L-H N 7.89 ambi=1 { N:118 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 425 40L-H N 7.89 ambi=1 { N:118 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 4.93 atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } atom: 426 40L-HA A 4.07 ambi=1 { CA:57.9 } ::sumAvg: 4.2 atom: 439 41L-H N 8.13 ambi=1 { N:119.5 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } ::sumAvg: 4.785 atom: 439 41L-H N 8.13 ambi=1 { N:119.5 } atom: 478 44E-H N 8.88 ambi=1 { N:119.8 } ::sumAvg: 4.78 atom: 478 44E-H N 8.88 ambi=1 { N:119.8 } atom: 439 41L-H N 8.13 ambi=1 { N:119.5 } ::sumAvg: 4.78 atom: 439 41L-H N 8.13 ambi=1 { N:119.5 } atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 4.375 atom: 464 43I-H N 7.89 ambi=1 { N:120.1 } atom: 440 41L-HA A 4 ambi=1 { CA:58 } ::sumAvg: 4.545 atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } atom: 440 41L-HA A 4 ambi=1 { CA:58 } ::sumAvg: 3.945 atom: 1403 118A-H N 8.37 ambi=1 { N:122.9 } atom: 443 41L-HG G 1.83 ambi=1 { CG:27.7 } ::sumAvg: 4.545 atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } atom: 464 43I-H N 7.89 ambi=1 { N:120.1 } ::sumAvg: 2.55 atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } atom: 466 43I-HB B 2.06 ambi=1 { CB:38.1 } ::sumAvg: 4.685 atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } ::sumAvg: 4.875 atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } ::sumAvg: 4.875 atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } atom: 837 72L-HD1 D1 0.86 ambi=2 { CD1:24.2 } :: atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } atom: 838 72L-HD2 D2 0.78 ambi=2 { CD2:27.3 } ::sumAvg: 3.94 atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } ::sumAvg: 3.935 atom: 493 45N-HD21 D2 7.36 ambi=2 { ND2:113.3 } atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } :: atom: 494 45N-HD22 D2 7.65 ambi=2 { ND2:113.3 } atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } ::sumAvg: 4.19 atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } ::sumAvg: 4.425 atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 4.97 atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 4.51 atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 4.61 atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 4.735 atom: 793 69S-H N 7.93 ambi=1 { N:112.7 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 793 69S-H N 7.93 ambi=1 { N:112.7 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 4.86 atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } atom: 465 43I-HA A 3.86 ambi=1 { CA:64.4 } ::sumAvg: 4.325 atom: 478 44E-H N 8.88 ambi=1 { N:119.8 } atom: 467 43I-HG12 G1 1.35 ambi=2 { CG1:29.1 } :: atom: 478 44E-H N 8.88 ambi=1 { N:119.8 } atom: 468 43I-HG13 G1 1.81 ambi=2 { CG1:29.1 } ::sumAvg: 4.37 atom: 478 44E-H N 8.88 ambi=1 { N:119.8 } atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } :: atom: 478 44E-H N 8.88 ambi=1 { N:119.8 } atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } ::sumAvg: 4.93 atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } atom: 478 44E-H N 8.88 ambi=1 { N:119.8 } ::sumAvg: 4.4 atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } :: atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } atom: 483 44E-HG3 G 2.36 ambi=2 { CG:33.8 } ::sumAvg: 4.23 atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } ::sumAvg: 4.66 atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } atom: 837 72L-HD1 D1 0.86 ambi=2 { CD1:24.2 } :: atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } atom: 838 72L-HD2 D2 0.78 ambi=2 { CD2:27.3 } ::sumAvg: 4.63 atom: 493 45N-HD21 D2 7.36 ambi=2 { ND2:113.3 } atom: 490 45N-HA A 4.71 ambi=1 { CA:54.1 } :: atom: 494 45N-HD22 D2 7.65 ambi=2 { ND2:113.3 } atom: 490 45N-HA A 4.71 ambi=1 { CA:54.1 } ::sumAvg: 4.23 atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } :: atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } ::sumAvg: 2.905 atom: 511 47L-H N 7.8 ambi=1 { N:118.1 } atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } :: atom: 511 47L-H N 7.8 ambi=1 { N:118.1 } atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } ::sumAvg: 3.67 atom: 493 45N-HD21 D2 7.36 ambi=2 { ND2:113.3 } atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } ::sumAvg: 4.73 atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } atom: 493 45N-HD21 D2 7.36 ambi=2 { ND2:113.3 } ::sumAvg: 4.73 atom: 493 45N-HD21 D2 7.36 ambi=2 { ND2:113.3 } atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } :: atom: 494 45N-HD22 D2 7.65 ambi=2 { ND2:113.3 } atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } ::sumAvg: 4.25 atom: 493 45N-HD21 D2 7.36 ambi=2 { ND2:113.3 } atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } :: atom: 494 45N-HD22 D2 7.65 ambi=2 { ND2:113.3 } atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } ::sumAvg: 4.815 atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } atom: 505 46N-HD22 D2 6.82 ambi=2 { ND2:112 } ::sumAvg: 4.93 atom: 505 46N-HD22 D2 6.82 ambi=2 { ND2:112 } atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } ::sumAvg: 4.93 atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } ::sumAvg: 4.73 atom: 553 50I-H N 7.57 ambi=1 { N:116.1 } atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } ::sumAvg: 4.095 atom: 567 51T-H N 7.81 ambi=1 { N:112.2 } atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } :: atom: 567 51T-H N 7.81 ambi=1 { N:112.2 } atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } ::sumAvg: 4.085 atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } :: atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } ::sumAvg: 4.73 atom: 818 71L-H N 8.15 ambi=1 { N:121.7 } atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } :: atom: 818 71L-H N 8.15 ambi=1 { N:121.7 } atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } ::sumAvg: 4.76 atom: 525 48K-H N 8.04 ambi=1 { N:126.3 } atom: 553 50I-H N 7.57 ambi=1 { N:116.1 } ::sumAvg: 4.26 atom: 553 50I-H N 7.57 ambi=1 { N:116.1 } atom: 525 48K-H N 8.04 ambi=1 { N:126.3 } ::sumAvg: 4.26 atom: 553 50I-H N 7.57 ambi=1 { N:116.1 } atom: 526 48K-HA A 4.15 ambi=1 { CA:58.1 } ::sumAvg: 4.085 atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } atom: 529 48K-HG2 G 1.38 ambi=2 { CG:24.9 } :: atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } atom: 530 48K-HG3 G 1.45 ambi=2 { CG:24.9 } ::sumAvg: 4.16 atom: 580 52N-HD21 D2 7.52 ambi=2 { ND2:111.5 } atom: 529 48K-HG2 G 1.38 ambi=2 { CG:24.9 } :: atom: 581 52N-HD22 D2 6.84 ambi=2 { ND2:111.5 } atom: 529 48K-HG2 G 1.38 ambi=2 { CG:24.9 } :: atom: 580 52N-HD21 D2 7.52 ambi=2 { ND2:111.5 } atom: 530 48K-HG3 G 1.45 ambi=2 { CG:24.9 } :: atom: 581 52N-HD22 D2 6.84 ambi=2 { ND2:111.5 } atom: 530 48K-HG3 G 1.45 ambi=2 { CG:24.9 } ::sumAvg: 4.415 atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } atom: 531 48K-QD D 1.67 ambi=2 { CD:29 } ::sumAvg: 4.775 atom: 580 52N-HD21 D2 7.52 ambi=2 { ND2:111.5 } atom: 533 48K-QE E 3 ambi=2 { CE:42.1 } :: atom: 581 52N-HD22 D2 6.84 ambi=2 { ND2:111.5 } atom: 533 48K-QE E 3 ambi=2 { CE:42.1 } ::sumAvg: 4.735 atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } atom: 556 50I-HG12 G1 1.26 ambi=2 { CG1:27.4 } :: atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } atom: 557 50I-HG13 G1 1.45 ambi=2 { CG1:27.4 } ::sumAvg: 4.475 atom: 567 51T-H N 7.81 ambi=1 { N:112.2 } atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } ::sumAvg: 4.145 atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } ::sumAvg: 4.88 atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } ::sumAvg: 4.88 atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } atom: 823 71L-HD1 D1 0.88 ambi=2 { CD1:25.7 } :: atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } atom: 824 71L-HD2 D2 0.91 ambi=2 { CD2:22.7 } ::sumAvg: 4.445 atom: 587 53N-H N 7.56 ambi=1 { N:117.5 } atom: 543 49E-HA A 4.04 ambi=1 { CA:58.8 } ::sumAvg: 4.86 atom: 580 52N-HD21 D2 7.52 ambi=2 { ND2:111.5 } atom: 546 49E-HG2 G 2.21 ambi=2 { CG:36 } :: atom: 581 52N-HD22 D2 6.84 ambi=2 { ND2:111.5 } atom: 546 49E-HG2 G 2.21 ambi=2 { CG:36 } :: atom: 580 52N-HD21 D2 7.52 ambi=2 { ND2:111.5 } atom: 547 49E-HG3 G 2.25 ambi=2 { CG:36 } :: atom: 581 52N-HD22 D2 6.84 ambi=2 { ND2:111.5 } atom: 547 49E-HG3 G 2.25 ambi=2 { CG:36 } ::sumAvg: 4.925 atom: 553 50I-H N 7.57 ambi=1 { N:116.1 } atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } ::sumAvg: 3.955 atom: 587 53N-H N 7.56 ambi=1 { N:117.5 } atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } ::sumAvg: 3.485 atom: 598 54V-H N 7.52 ambi=1 { N:119.4 } atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } ::sumAvg: 4.475 atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } atom: 556 50I-HG12 G1 1.26 ambi=2 { CG1:27.4 } :: atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } atom: 557 50I-HG13 G1 1.45 ambi=2 { CG1:27.4 } ::sumAvg: 4.375 atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } ::sumAvg: 4.83 atom: 587 53N-H N 7.56 ambi=1 { N:117.5 } atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } ::sumAvg: 4.38 atom: 591 53N-HD21 D2 7.58 ambi=2 { ND2:113 } atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } :: atom: 592 53N-HD22 D2 6.95 ambi=2 { ND2:113 } atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } ::sumAvg: 4.2 atom: 598 54V-H N 7.52 ambi=1 { N:119.4 } atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } ::sumAvg: 3.965 atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } ::sumAvg: 4.96 atom: 591 53N-HD21 D2 7.58 ambi=2 { ND2:113 } atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } :: atom: 592 53N-HD22 D2 6.95 ambi=2 { ND2:113 } atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } ::sumAvg: 4.105 atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } ::sumAvg: 4.74 atom: 818 71L-H N 8.15 ambi=1 { N:121.7 } atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } ::sumAvg: 3.815 atom: 567 51T-H N 7.81 ambi=1 { N:112.2 } atom: 578 52N-QB B 2.75 ambi=2 { CB:38 } ::sumAvg: 4.91 atom: 567 51T-H N 7.81 ambi=1 { N:112.2 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 567 51T-H N 7.81 ambi=1 { N:112.2 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 4.135 atom: 587 53N-H N 7.56 ambi=1 { N:117.5 } atom: 568 51T-HA A 3.71 ambi=1 { CA:64.7 } ::sumAvg: 4.155 atom: 609 55K-H N 8.08 ambi=1 { N:122.2 } atom: 568 51T-HA A 3.71 ambi=1 { CA:64.7 } ::sumAvg: 4.41 atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } atom: 570 51T-HG2 G2 1.09 ambi=1 { CG2:22.5 } ::sumAvg: 3.68 atom: 598 54V-H N 7.52 ambi=1 { N:119.4 } atom: 570 51T-HG2 G2 1.09 ambi=1 { CG2:22.5 } ::sumAvg: 4.82 atom: 580 52N-HD21 D2 7.52 ambi=2 { ND2:111.5 } atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } :: atom: 581 52N-HD22 D2 6.84 ambi=2 { ND2:111.5 } atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } ::sumAvg: 4.095 atom: 598 54V-H N 7.52 ambi=1 { N:119.4 } atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } ::sumAvg: 4.04 atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 4.61 atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } atom: 609 55K-H N 8.08 ambi=1 { N:122.2 } ::sumAvg: 4.875 atom: 609 55K-H N 8.08 ambi=1 { N:122.2 } atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } ::sumAvg: 4.875 atom: 580 52N-HD21 D2 7.52 ambi=2 { ND2:111.5 } atom: 577 52N-HA A 4.49 ambi=1 { CA:54.6 } :: atom: 581 52N-HD22 D2 6.84 ambi=2 { ND2:111.5 } atom: 577 52N-HA A 4.49 ambi=1 { CA:54.6 } ::sumAvg: 4.41 atom: 598 54V-H N 7.52 ambi=1 { N:119.4 } atom: 577 52N-HA A 4.49 ambi=1 { CA:54.6 } ::sumAvg: 4.385 atom: 609 55K-H N 8.08 ambi=1 { N:122.2 } atom: 577 52N-HA A 4.49 ambi=1 { CA:54.6 } ::sumAvg: 3.465 atom: 626 56N-H N 8.1 ambi=1 { N:117.6 } atom: 577 52N-HA A 4.49 ambi=1 { CA:54.6 } ::sumAvg: 4.985 atom: 587 53N-H N 7.56 ambi=1 { N:117.5 } atom: 578 52N-QB B 2.75 ambi=2 { CB:38 } ::sumAvg: 2.865 atom: 598 54V-H N 7.52 ambi=1 { N:119.4 } atom: 578 52N-QB B 2.75 ambi=2 { CB:38 } ::sumAvg: 4.795 atom: 609 55K-H N 8.08 ambi=1 { N:122.2 } atom: 578 52N-QB B 2.75 ambi=2 { CB:38 } ::sumAvg: 4.66 atom: 587 53N-H N 7.56 ambi=1 { N:117.5 } atom: 592 53N-HD22 D2 6.95 ambi=2 { ND2:113 } ::sumAvg: 4.18 atom: 587 53N-H N 7.56 ambi=1 { N:117.5 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 587 53N-H N 7.56 ambi=1 { N:117.5 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 3.855 atom: 587 53N-H N 7.56 ambi=1 { N:117.5 } atom: 609 55K-H N 8.08 ambi=1 { N:122.2 } ::sumAvg: 3.865 atom: 591 53N-HD21 D2 7.58 ambi=2 { ND2:113 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 591 53N-HD21 D2 7.58 ambi=2 { ND2:113 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } :: atom: 592 53N-HD22 D2 6.95 ambi=2 { ND2:113 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 592 53N-HD22 D2 6.95 ambi=2 { ND2:113 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 4.97 atom: 591 53N-HD21 D2 7.58 ambi=2 { ND2:113 } atom: 775 67K-HD2 D 1.54 ambi=2 { CD:29.3 } :: atom: 591 53N-HD21 D2 7.58 ambi=2 { ND2:113 } atom: 776 67K-HD3 D 1.69 ambi=2 { CD:29.3 } :: atom: 592 53N-HD22 D2 6.95 ambi=2 { ND2:113 } atom: 775 67K-HD2 D 1.54 ambi=2 { CD:29.3 } :: atom: 592 53N-HD22 D2 6.95 ambi=2 { ND2:113 } atom: 776 67K-HD3 D 1.69 ambi=2 { CD:29.3 } ::sumAvg: 4.55 atom: 637 57K-H N 8.29 ambi=1 { N:119.1 } atom: 599 54V-HA A 3.77 ambi=1 { CA:63.3 } ::sumAvg: 3.96 atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } atom: 599 54V-HA A 3.77 ambi=1 { CA:63.3 } :: atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } atom: 599 54V-HA A 3.77 ambi=1 { CA:63.3 } ::sumAvg: 3.36 atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } atom: 600 54V-HB B 1.7 ambi=1 { CB:31.8 } ::sumAvg: 4.39 atom: 598 54V-H N 7.52 ambi=1 { N:119.4 } atom: 610 55K-HA A 4.15 ambi=1 { CA:57.3 } ::sumAvg: 4.87 atom: 598 54V-H N 7.52 ambi=1 { N:119.4 } atom: 611 55K-HB2 B 1.85 ambi=2 { CB:32.4 } :: atom: 598 54V-H N 7.52 ambi=1 { N:119.4 } atom: 612 55K-HB3 B 1.78 ambi=2 { CB:32.4 } ::sumAvg: 4.44 atom: 626 56N-H N 8.1 ambi=1 { N:117.6 } atom: 598 54V-H N 7.52 ambi=1 { N:119.4 } ::sumAvg: 4.325 atom: 660 59R-H N 7.86 ambi=1 { N:119.1 } atom: 638 57K-HA A 4.27 ambi=1 { CA:56.7 } ::sumAvg: 4.875 atom: 674 60W-H N 8.87 ambi=1 { N:123.4 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 674 60W-H N 8.87 ambi=1 { N:123.4 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 4.825 atom: 694 61K-H N 8.58 ambi=1 { N:122 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 694 61K-H N 8.58 ambi=1 { N:122 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 3.97 atom: 637 57K-H N 8.29 ambi=1 { N:119.1 } atom: 610 55K-HA A 4.15 ambi=1 { CA:57.3 } ::sumAvg: 4.675 atom: 626 56N-H N 8.1 ambi=1 { N:117.6 } atom: 638 57K-HA A 4.27 ambi=1 { CA:56.7 } ::sumAvg: 4.915 atom: 626 56N-H N 8.1 ambi=1 { N:117.6 } atom: 630 56N-HD21 D2 7.63 ambi=2 { ND2:112.8 } :: atom: 626 56N-H N 8.1 ambi=1 { N:117.6 } atom: 631 56N-HD22 D2 6.92 ambi=2 { ND2:112.8 } ::sumAvg: 4.7 atom: 630 56N-HD21 D2 7.63 ambi=2 { ND2:112.8 } atom: 626 56N-H N 8.1 ambi=1 { N:117.6 } :: atom: 631 56N-HD22 D2 6.92 ambi=2 { ND2:112.8 } atom: 626 56N-H N 8.1 ambi=1 { N:117.6 } ::sumAvg: 4.7 atom: 630 56N-HD21 D2 7.63 ambi=2 { ND2:112.8 } atom: 637 57K-H N 8.29 ambi=1 { N:119.1 } :: atom: 631 56N-HD22 D2 6.92 ambi=2 { ND2:112.8 } atom: 637 57K-H N 8.29 ambi=1 { N:119.1 } ::sumAvg: 4.995 atom: 630 56N-HD21 D2 7.63 ambi=2 { ND2:112.8 } atom: 641 57K-HG2 G 1.49 ambi=2 { CG:25 } :: atom: 630 56N-HD21 D2 7.63 ambi=2 { ND2:112.8 } atom: 642 57K-HG3 G 1.47 ambi=2 { CG:25 } :: atom: 631 56N-HD22 D2 6.92 ambi=2 { ND2:112.8 } atom: 641 57K-HG2 G 1.49 ambi=2 { CG:25 } :: atom: 631 56N-HD22 D2 6.92 ambi=2 { ND2:112.8 } atom: 642 57K-HG3 G 1.47 ambi=2 { CG:25 } ::sumAvg: 4.44 atom: 654 58G-H N 8.32 ambi=1 { N:108.4 } atom: 643 57K-QD D 1.69 ambi=2 { CD:28.8 } ::sumAvg: 4.61 atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } atom: 643 57K-QD D 1.69 ambi=2 { CD:28.8 } :: atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } atom: 643 57K-QD D 1.69 ambi=2 { CD:28.8 } ::sumAvg: 4.995 atom: 654 58G-H N 8.32 ambi=1 { N:108.4 } atom: 661 59R-HA A 4.48 ambi=1 { CA:55.7 } ::sumAvg: 4.92 atom: 719 63E-H N 9.53 ambi=1 { N:120.9 } atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } ::sumAvg: 4.82 atom: 719 63E-H N 9.53 ambi=1 { N:120.9 } atom: 696 61K-HB2 B 1.84 ambi=2 { CB:33.6 } :: atom: 719 63E-H N 9.53 ambi=1 { N:120.9 } atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } ::sumAvg: 3.43 atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } atom: 696 61K-HB2 B 1.84 ambi=2 { CB:33.6 } :: atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } ::sumAvg: 4.88 atom: 674 60W-H N 8.87 ambi=1 { N:123.4 } atom: 666 59R-QD D 3.19 ambi=2 { CD:43.4 } ::sumAvg: 4.125 atom: 674 60W-H N 8.87 ambi=1 { N:123.4 } atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } ::sumAvg: 3.685 atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } :: atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } ::sumAvg: 3.505 atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } ::sumAvg: 4.95 atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } ::sumAvg: 4.89 atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } :: atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } ::sumAvg: 4.675 atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } ::sumAvg: 4.83 atom: 694 61K-H N 8.58 ambi=1 { N:122 } atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } ::sumAvg: 4.98 atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } ::sumAvg: 4.98 atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 4.21 atom: 694 61K-H N 8.58 ambi=1 { N:122 } atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } ::sumAvg: 4.765 atom: 694 61K-H N 8.58 ambi=1 { N:122 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } ::sumAvg: 3.395 atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } ::sumAvg: 3.395 atom: 694 61K-H N 8.58 ambi=1 { N:122 } atom: 712 62S-HA A 4.11 ambi=1 { CA:62.6 } ::sumAvg: 4.895 atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } ::sumAvg: 4.375 atom: 694 61K-H N 8.58 ambi=1 { N:122 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 694 61K-H N 8.58 ambi=1 { N:122 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } ::sumAvg: 3.59 atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } :: atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } ::sumAvg: 3.395 atom: 694 61K-H N 8.58 ambi=1 { N:122 } atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } ::sumAvg: 4.665 atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } ::sumAvg: 4.665 atom: 694 61K-H N 8.58 ambi=1 { N:122 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 694 61K-H N 8.58 ambi=1 { N:122 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 4.37 atom: 694 61K-H N 8.58 ambi=1 { N:122 } atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } ::sumAvg: 4.07 atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } atom: 698 61K-HG2 G 1.58 ambi=2 { CG:25.1 } :: atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } atom: 699 61K-HG3 G 1.66 ambi=2 { CG:25.1 } ::sumAvg: 3.875 atom: 719 63E-H N 9.53 ambi=1 { N:120.9 } atom: 698 61K-HG2 G 1.58 ambi=2 { CG:25.1 } :: atom: 719 63E-H N 9.53 ambi=1 { N:120.9 } atom: 699 61K-HG3 G 1.66 ambi=2 { CG:25.1 } ::sumAvg: 4.23 atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } atom: 698 61K-HG2 G 1.58 ambi=2 { CG:25.1 } :: atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } atom: 699 61K-HG3 G 1.66 ambi=2 { CG:25.1 } ::sumAvg: 4.165 atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } :: atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } atom: 700 61K-HD2 D 1.66 ambi=2 { CD:28.8 } ::sumAvg: 4.49 atom: 719 63E-H N 9.53 ambi=1 { N:120.9 } atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } :: atom: 719 63E-H N 9.53 ambi=1 { N:120.9 } atom: 700 61K-HD2 D 1.66 ambi=2 { CD:28.8 } ::sumAvg: 4.96 atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } :: atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } atom: 700 61K-HD2 D 1.66 ambi=2 { CD:28.8 } ::sumAvg: 4.78 atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } :: atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } :: atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } atom: 700 61K-HD2 D 1.66 ambi=2 { CD:28.8 } :: atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } atom: 700 61K-HD2 D 1.66 ambi=2 { CD:28.8 } ::sumAvg: 4.8 atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } :: atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } ::sumAvg: 4.91 atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } :: atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } ::sumAvg: 4.63 atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } :: atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } ::sumAvg: 4.945 atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } ::sumAvg: 3.455 atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } ::sumAvg: 3.455 atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } ::sumAvg: 4.745 atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } ::sumAvg: 4.02 atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } ::sumAvg: 4.02 atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 3.915 atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } ::sumAvg: 4.65 atom: 719 63E-H N 9.53 ambi=1 { N:120.9 } atom: 712 62S-HA A 4.11 ambi=1 { CA:62.6 } ::sumAvg: 3.495 atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } atom: 712 62S-HA A 4.11 ambi=1 { CA:62.6 } ::sumAvg: 4.33 atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } atom: 712 62S-HA A 4.11 ambi=1 { CA:62.6 } ::sumAvg: 3.495 atom: 719 63E-H N 9.53 ambi=1 { N:120.9 } atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } ::sumAvg: 4.15 atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } atom: 719 63E-H N 9.53 ambi=1 { N:120.9 } ::sumAvg: 4.15 atom: 719 63E-H N 9.53 ambi=1 { N:120.9 } atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } ::sumAvg: 4.64 atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } atom: 719 63E-H N 9.53 ambi=1 { N:120.9 } ::sumAvg: 4.64 atom: 769 67K-H N 7.99 ambi=1 { N:120.8 } atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } ::sumAvg: 4.925 atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } :: atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } ::sumAvg: 4.455 atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } ::sumAvg: 3.725 atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } ::sumAvg: 3.96 atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } ::sumAvg: 3.96 atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } ::sumAvg: 4.33 atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } ::sumAvg: 4.885 atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } :: atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } ::sumAvg: 4.69 atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } ::sumAvg: 4.52 atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } ::sumAvg: 4.52 atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 4.345 atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 4.595 atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 4.795 atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } atom: 756 66F-HA A 3.76 ambi=1 { CA:62.4 } ::sumAvg: 4.535 atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } atom: 756 66F-HA A 3.76 ambi=1 { CA:62.4 } ::sumAvg: 4.165 atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } :: atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } ::sumAvg: 4.835 atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } :: atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } ::sumAvg: 4.485 atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } atom: 793 69S-H N 7.93 ambi=1 { N:112.7 } ::sumAvg: 4.755 atom: 793 69S-H N 7.93 ambi=1 { N:112.7 } atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } ::sumAvg: 4.755 atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } ::sumAvg: 4.845 atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } ::sumAvg: 4.845 atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } atom: 970 83W-HZ2 Z2 7.14 ambi=1 { CZ2:114.2 } ::sumAvg: 4.875 atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } atom: 880 76N-HA A 4.62 ambi=1 { CA:53.9 } :: atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } atom: 880 76N-HA A 4.62 ambi=1 { CA:53.9 } ::sumAvg: 3.91 atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } atom: 880 76N-HA A 4.62 ambi=1 { CA:53.9 } ::sumAvg: 4.895 atom: 769 67K-H N 7.99 ambi=1 { N:120.8 } atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } ::sumAvg: 3.72 atom: 769 67K-H N 7.99 ambi=1 { N:120.8 } atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } ::sumAvg: 4.795 atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } atom: 769 67K-H N 7.99 ambi=1 { N:120.8 } ::sumAvg: 4.795 atom: 818 71L-H N 8.15 ambi=1 { N:121.7 } atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } ::sumAvg: 4.83 atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } ::sumAvg: 3.86 atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } ::sumAvg: 3.99 atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 4.215 atom: 818 71L-H N 8.15 ambi=1 { N:121.7 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 4.745 atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } :: atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } ::sumAvg: 3.535 atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } :: atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } ::sumAvg: 4.545 atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } :: atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } ::sumAvg: 4.695 atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } atom: 809 70K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.945 atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } ::sumAvg: 4.84 atom: 818 71L-H N 8.15 ambi=1 { N:121.7 } atom: 807 70K-QD D 1.7 ambi=2 { CD:29.3 } ::sumAvg: 4.94 atom: 818 71L-H N 8.15 ambi=1 { N:121.7 } atom: 823 71L-HD1 D1 0.88 ambi=2 { CD1:25.7 } :: atom: 818 71L-H N 8.15 ambi=1 { N:121.7 } atom: 824 71L-HD2 D2 0.91 ambi=2 { CD2:22.7 } ::sumAvg: 3.27 atom: 818 71L-H N 8.15 ambi=1 { N:121.7 } atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } ::sumAvg: 4.4 atom: 818 71L-H N 8.15 ambi=1 { N:121.7 } atom: 837 72L-HD1 D1 0.86 ambi=2 { CD1:24.2 } :: atom: 818 71L-H N 8.15 ambi=1 { N:121.7 } atom: 838 72L-HD2 D2 0.78 ambi=2 { CD2:27.3 } ::sumAvg: 4.965 atom: 818 71L-H N 8.15 ambi=1 { N:121.7 } atom: 846 73R-H N 7.49 ambi=1 { N:121.8 } ::sumAvg: 4.67 atom: 832 72L-H N 8.16 ambi=1 { N:117.7 } atom: 860 74S-H N 7.39 ambi=1 { N:110.2 } ::sumAvg: 4.265 atom: 860 74S-H N 7.39 ambi=1 { N:110.2 } atom: 832 72L-H N 8.16 ambi=1 { N:117.7 } ::sumAvg: 4.265 atom: 872 75N-HD21 D2 7.39 ambi=2 { ND2:109.3 } atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } :: atom: 873 75N-HD22 D2 6.77 ambi=2 { ND2:109.3 } atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } ::sumAvg: 4.67 atom: 879 76N-H N 7.5 ambi=1 { N:115.6 } atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } ::sumAvg: 4.635 atom: 868 75N-H N 7.75 ambi=1 { N:119.6 } atom: 834 72L-HB2 B 1.64 ambi=2 { CB:42.5 } :: atom: 868 75N-H N 7.75 ambi=1 { N:119.6 } atom: 835 72L-HB3 B 1.87 ambi=2 { CB:42.5 } ::sumAvg: 4.385 atom: 872 75N-HD21 D2 7.39 ambi=2 { ND2:109.3 } atom: 834 72L-HB2 B 1.64 ambi=2 { CB:42.5 } :: atom: 873 75N-HD22 D2 6.77 ambi=2 { ND2:109.3 } atom: 834 72L-HB2 B 1.64 ambi=2 { CB:42.5 } :: atom: 872 75N-HD21 D2 7.39 ambi=2 { ND2:109.3 } atom: 835 72L-HB3 B 1.87 ambi=2 { CB:42.5 } :: atom: 873 75N-HD22 D2 6.77 ambi=2 { ND2:109.3 } atom: 835 72L-HB3 B 1.87 ambi=2 { CB:42.5 } ::sumAvg: 4.725 atom: 860 74S-H N 7.39 ambi=1 { N:110.2 } atom: 837 72L-HD1 D1 0.86 ambi=2 { CD1:24.2 } :: atom: 860 74S-H N 7.39 ambi=1 { N:110.2 } atom: 838 72L-HD2 D2 0.78 ambi=2 { CD2:27.3 } ::sumAvg: 4.95 atom: 890 77T-H N 8.76 ambi=1 { N:119.5 } atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } ::sumAvg: 4.25 atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } ::sumAvg: 4.72 atom: 860 74S-H N 7.39 ambi=1 { N:110.2 } atom: 870 75N-HB2 B 2.84 ambi=2 { CB:39.8 } :: atom: 860 74S-H N 7.39 ambi=1 { N:110.2 } atom: 871 75N-HB3 B 2.73 ambi=2 { CB:39.8 } ::sumAvg: 4.9 atom: 868 75N-H N 7.75 ambi=1 { N:119.6 } atom: 873 75N-HD22 D2 6.77 ambi=2 { ND2:109.3 } ::sumAvg: 4.28 atom: 873 75N-HD22 D2 6.77 ambi=2 { ND2:109.3 } atom: 868 75N-H N 7.75 ambi=1 { N:119.6 } ::sumAvg: 4.28 atom: 872 75N-HD21 D2 7.39 ambi=2 { ND2:109.3 } atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } :: atom: 873 75N-HD22 D2 6.77 ambi=2 { ND2:109.3 } atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } ::sumAvg: 4.275 atom: 879 76N-H N 7.5 ambi=1 { N:115.6 } atom: 912 79I-HB B 1.92 ambi=1 { CB:34.4 } ::sumAvg: 4.465 atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } atom: 890 77T-H N 8.76 ambi=1 { N:119.5 } :: atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } atom: 890 77T-H N 8.76 ambi=1 { N:119.5 } ::sumAvg: 4.86 atom: 890 77T-H N 8.76 ambi=1 { N:119.5 } atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } :: atom: 890 77T-H N 8.76 ambi=1 { N:119.5 } atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } ::sumAvg: 4.86 atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } atom: 899 78E-H N 8.37 ambi=1 { N:117.4 } :: atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } atom: 899 78E-H N 8.37 ambi=1 { N:117.4 } ::sumAvg: 4.015 atom: 899 78E-H N 8.37 ambi=1 { N:117.4 } atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } :: atom: 899 78E-H N 8.37 ambi=1 { N:117.4 } atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } ::sumAvg: 4.015 atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } :: atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } ::sumAvg: 4.26 atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } :: atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } ::sumAvg: 4.39 atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } atom: 954 82L-HD1 D1 0.83 ambi=2 { CD1:25.4 } :: atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } atom: 955 82L-HD2 D2 0.93 ambi=2 { CD2:21 } :: atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } atom: 954 82L-HD1 D1 0.83 ambi=2 { CD1:25.4 } :: atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } atom: 955 82L-HD2 D2 0.93 ambi=2 { CD2:21 } ::sumAvg: 4.74 atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } :: atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.74 atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } :: atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 3.51 atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } ::sumAvg: 3.675 atom: 890 77T-H N 8.76 ambi=1 { N:119.5 } atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } ::sumAvg: 4.255 atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } atom: 890 77T-H N 8.76 ambi=1 { N:119.5 } ::sumAvg: 4.255 atom: 1008 86A-H N 7.43 ambi=1 { N:123.6 } atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } ::sumAvg: 4.485 atom: 899 78E-H N 8.37 ambi=1 { N:117.4 } atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } ::sumAvg: 4.965 atom: 899 78E-H N 8.37 ambi=1 { N:117.4 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } ::sumAvg: 3.855 atom: 899 78E-H N 8.37 ambi=1 { N:117.4 } atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } :: atom: 899 78E-H N 8.37 ambi=1 { N:117.4 } atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } ::sumAvg: 3.83 atom: 899 78E-H N 8.37 ambi=1 { N:117.4 } atom: 941 81I-HD1 D1 0.95 ambi=1 { CD1:12.9 } ::sumAvg: 4.66 atom: 949 82L-H N 8.26 ambi=1 { N:120.4 } atom: 900 78E-HA A 4.29 ambi=1 { CA:57 } ::sumAvg: 4.135 atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } atom: 903 78E-HG2 G 2.36 ambi=2 { CG:36.2 } :: atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } atom: 904 78E-HG3 G 2.45 ambi=2 { CG:36.2 } ::sumAvg: 4.53 atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } atom: 935 81I-H N 7.14 ambi=1 { N:118.9 } ::sumAvg: 4.095 atom: 935 81I-H N 7.14 ambi=1 { N:118.9 } atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } ::sumAvg: 4.095 atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } atom: 949 82L-H N 8.26 ambi=1 { N:120.4 } ::sumAvg: 4.665 atom: 949 82L-H N 8.26 ambi=1 { N:120.4 } atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } ::sumAvg: 4.665 atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 4.125 atom: 935 81I-H N 7.14 ambi=1 { N:118.9 } atom: 912 79I-HB B 1.92 ambi=1 { CB:34.4 } ::sumAvg: 4.875 atom: 935 81I-H N 7.14 ambi=1 { N:118.9 } atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } ::sumAvg: 4.55 atom: 949 82L-H N 8.26 ambi=1 { N:120.4 } atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } ::sumAvg: 4.54 atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } ::sumAvg: 4.965 atom: 949 82L-H N 8.26 ambi=1 { N:120.4 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } ::sumAvg: 4.505 atom: 1008 86A-H N 7.43 ambi=1 { N:123.6 } atom: 950 82L-HA A 4.12 ambi=1 { CA:57.7 } ::sumAvg: 4.79 atom: 1308 111V-H N 7.04 ambi=1 { N:119 } atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } :: atom: 1308 111V-H N 7.04 ambi=1 { N:119 } atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } ::sumAvg: 4.925 atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } atom: 1000 85S-H N 7.81 ambi=1 { N:117.7 } ::sumAvg: 4.24 atom: 1000 85S-H N 7.81 ambi=1 { N:117.7 } atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } ::sumAvg: 4.24 atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } ::sumAvg: 4.41 atom: 1000 85S-H N 7.81 ambi=1 { N:117.7 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } ::sumAvg: 4.855 atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } atom: 972 83W-HH2 H2 6.82 ambi=1 { CH2:123.8 } ::sumAvg: 4.975 atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } ::sumAvg: 4.425 atom: 983 84K-H N 7.51 ambi=1 { N:117.7 } atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } ::sumAvg: 4.66 atom: 1000 85S-H N 7.81 ambi=1 { N:117.7 } atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } ::sumAvg: 4.005 atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } atom: 1000 85S-H N 7.81 ambi=1 { N:117.7 } ::sumAvg: 4.005 atom: 1000 85S-H N 7.81 ambi=1 { N:117.7 } atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } ::sumAvg: 4.89 atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } atom: 1000 85S-H N 7.81 ambi=1 { N:117.7 } ::sumAvg: 4.89 atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } atom: 1001 85S-HA A 4.2 ambi=1 { CA:62.3 } ::sumAvg: 4.42 atom: 1008 86A-H N 7.43 ambi=1 { N:123.6 } atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } :: atom: 1008 86A-H N 7.43 ambi=1 { N:123.6 } atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } ::sumAvg: 4.62 atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } atom: 1008 86A-H N 7.43 ambi=1 { N:123.6 } ::sumAvg: 4.34 atom: 1008 86A-H N 7.43 ambi=1 { N:123.6 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } ::sumAvg: 4.895 atom: 1008 86A-H N 7.43 ambi=1 { N:123.6 } atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } :: atom: 1008 86A-H N 7.43 ambi=1 { N:123.6 } atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } ::sumAvg: 4 atom: 1008 86A-H N 7.43 ambi=1 { N:123.6 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 1008 86A-H N 7.43 ambi=1 { N:123.6 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } ::sumAvg: 4.685 atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } ::sumAvg: 4.425 atom: 1058 90H-H N 7.46 ambi=1 { N:117.1 } atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } ::sumAvg: 4.93 atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } atom: 1019 87W-HD1 D1 7.33 ambi=1 { CD1:126.7 } ::sumAvg: 4.815 atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } atom: 1021 87W-HE3 E3 7.28 ambi=1 { CE3:120.4 } ::sumAvg: 4.62 atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } atom: 1044 89L-H N 7.6 ambi=1 { N:120.7 } ::sumAvg: 4.135 atom: 1044 89L-H N 7.6 ambi=1 { N:120.7 } atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } ::sumAvg: 4.135 atom: 1044 89L-H N 7.6 ambi=1 { N:120.7 } atom: 1016 87W-HA A 4.03 ambi=1 { CA:59.6 } ::sumAvg: 4.225 atom: 1066 91V-H N 7.96 ambi=1 { N:116.4 } atom: 1016 87W-HA A 4.03 ambi=1 { CA:59.6 } ::sumAvg: 3.91 atom: 1020 87W-HE1 E1 10.27 ambi=1 { NE1:129.3 } atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } :: atom: 1020 87W-HE1 E1 10.27 ambi=1 { NE1:129.3 } atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } ::sumAvg: 4.91 atom: 1044 89L-H N 7.6 ambi=1 { N:120.7 } atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } :: atom: 1044 89L-H N 7.6 ambi=1 { N:120.7 } atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } ::sumAvg: 4.975 atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } atom: 1019 87W-HD1 D1 7.33 ambi=1 { CD1:126.7 } ::sumAvg: 4.84 atom: 1020 87W-HE1 E1 10.27 ambi=1 { NE1:129.3 } atom: 1024 87W-HH2 H2 7.44 ambi=1 { CH2:123.8 } ::sumAvg: 4.995 atom: 1020 87W-HE1 E1 10.27 ambi=1 { NE1:129.3 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1020 87W-HE1 E1 10.27 ambi=1 { NE1:129.3 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } ::sumAvg: 3.965 atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } atom: 1021 87W-HE3 E3 7.28 ambi=1 { CE3:120.4 } ::sumAvg: 4.39 atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } :: atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } ::sumAvg: 4.795 atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } atom: 1058 90H-H N 7.46 ambi=1 { N:117.1 } ::sumAvg: 4.115 atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } ::sumAvg: 4.865 atom: 1058 90H-H N 7.46 ambi=1 { N:117.1 } atom: 1037 88T-HB B 4.46 ambi=1 { CB:68.3 } ::sumAvg: 4.975 atom: 1058 90H-H N 7.46 ambi=1 { N:117.1 } atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } ::sumAvg: 4.855 atom: 1077 92E-H N 8.31 ambi=1 { N:119.5 } atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } ::sumAvg: 3.865 atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } ::sumAvg: 4.605 atom: 1044 89L-H N 7.6 ambi=1 { N:120.7 } atom: 1060 90H-HB2 B 2.59 ambi=2 { CB:27.8 } :: atom: 1044 89L-H N 7.6 ambi=1 { N:120.7 } atom: 1061 90H-HB3 B 2.06 ambi=2 { CB:27.8 } ::sumAvg: 4.715 atom: 1058 90H-H N 7.46 ambi=1 { N:117.1 } atom: 1048 89L-HG G 0.71 ambi=1 { CG:26.4 } ::sumAvg: 3.99 atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } ::sumAvg: 4.4 atom: 1149 99L-H N 7.54 ambi=1 { N:122.1 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } ::sumAvg: 4.905 atom: 1058 90H-H N 7.46 ambi=1 { N:117.1 } atom: 1067 91V-HA A 3.17 ambi=1 { CA:64.9 } ::sumAvg: 4.985 atom: 1077 92E-H N 8.31 ambi=1 { N:119.5 } atom: 1058 90H-H N 7.46 ambi=1 { N:117.1 } ::sumAvg: 3.885 atom: 1066 91V-H N 7.96 ambi=1 { N:116.4 } atom: 1078 92E-HA A 4.06 ambi=1 { CA:58.1 } ::sumAvg: 4.92 atom: 1077 92E-H N 8.31 ambi=1 { N:119.5 } atom: 1067 91V-HA A 3.17 ambi=1 { CA:64.9 } ::sumAvg: 3.435 atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } atom: 1067 91V-HA A 3.17 ambi=1 { CA:64.9 } ::sumAvg: 4.415 atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } atom: 1068 91V-HB B 1.78 ambi=1 { CB:31.9 } ::sumAvg: 4.71 atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } ::sumAvg: 3.615 atom: 1094 94F-H N 7.37 ambi=1 { N:117.3 } atom: 1078 92E-HA A 4.06 ambi=1 { CA:58.1 } ::sumAvg: 4.97 atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } atom: 1081 92E-HG2 G 2.16 ambi=2 { CG:34.6 } :: atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } atom: 1082 92E-HG3 G 2.34 ambi=2 { CG:34.6 } ::sumAvg: 4.37 atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } atom: 1096 94F-HB2 B 2.82 ambi=2 { CB:38.9 } :: atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } atom: 1097 94F-HB3 B 3.1 ambi=2 { CB:38.9 } ::sumAvg: 4.87 atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } atom: 1098 94F-QD D 7.01 ambi=3 { CD1:131.1 } ::sumAvg: 4.9 atom: 1108 95H-H N 7.86 ambi=1 { N:116.4 } atom: 1089 93G-HA2 A 3.84 ambi=2 { CA:46.6 } :: atom: 1108 95H-H N 7.86 ambi=1 { N:116.4 } atom: 1090 93G-HA3 A 3.91 ambi=2 { CA:46.6 } ::sumAvg: 4.535 atom: 1094 94F-H N 7.37 ambi=1 { N:117.3 } atom: 1116 96E-H N 8.26 ambi=1 { N:118.6 } ::sumAvg: 4.32 atom: 1116 96E-H N 8.26 ambi=1 { N:118.6 } atom: 1094 94F-H N 7.37 ambi=1 { N:117.3 } ::sumAvg: 4.32 atom: 1094 94F-H N 7.37 ambi=1 { N:117.3 } atom: 1120 96E-QG G 2.31 ambi=2 { CG:36 } ::sumAvg: 4.835 atom: 1108 95H-H N 7.86 ambi=1 { N:116.4 } atom: 1098 94F-QD D 7.01 ambi=3 { CD1:131.1 } ::sumAvg: 4.025 atom: 1108 95H-H N 7.86 ambi=1 { N:116.4 } atom: 1118 96E-QB B 2.04 ambi=2 { CB:29.1 } ::sumAvg: 4.8 atom: 1108 95H-H N 7.86 ambi=1 { N:116.4 } atom: 1120 96E-QG G 2.31 ambi=2 { CG:36 } ::sumAvg: 4.855 atom: 1108 95H-H N 7.86 ambi=1 { N:116.4 } atom: 1132 97L-HD1 D1 0.87 ambi=2 { CD1:25.1 } :: atom: 1108 95H-H N 7.86 ambi=1 { N:116.4 } atom: 1133 97L-HD2 D2 0.85 ambi=2 { CD2:24.2 } ::sumAvg: 4.78 atom: 1116 96E-H N 8.26 ambi=1 { N:118.6 } atom: 1109 95H-HA A 4.58 ambi=1 { CA:55.8 } ::sumAvg: 2.875 atom: 1116 96E-H N 8.26 ambi=1 { N:118.6 } atom: 1110 95H-HB2 B 3.21 ambi=2 { CB:28.5 } :: atom: 1116 96E-H N 8.26 ambi=1 { N:118.6 } atom: 1111 95H-HB3 B 3.29 ambi=2 { CB:28.5 } ::sumAvg: 3.16 atom: 1116 96E-H N 8.26 ambi=1 { N:118.6 } atom: 1128 97L-HA A 4.24 ambi=1 { CA:56.3 } ::sumAvg: 4.72 atom: 1116 96E-H N 8.26 ambi=1 { N:118.6 } atom: 1132 97L-HD1 D1 0.87 ambi=2 { CD1:25.1 } :: atom: 1116 96E-H N 8.26 ambi=1 { N:118.6 } atom: 1133 97L-HD2 D2 0.85 ambi=2 { CD2:24.2 } ::sumAvg: 4.955 atom: 1127 97L-H N 8.04 ambi=1 { N:119.5 } atom: 1118 96E-QB B 2.04 ambi=2 { CB:29.1 } ::sumAvg: 3.055 atom: 1141 98S-H N 8.28 ambi=1 { N:113.7 } atom: 1118 96E-QB B 2.04 ambi=2 { CB:29.1 } ::sumAvg: 4.68 atom: 1149 99L-H N 7.54 ambi=1 { N:122.1 } atom: 1128 97L-HA A 4.24 ambi=1 { CA:56.3 } ::sumAvg: 4.545 atom: 1141 98S-H N 8.28 ambi=1 { N:113.7 } atom: 1131 97L-HG G 1.54 ambi=1 { CG:27.1 } ::sumAvg: 4.255 atom: 1141 98S-H N 8.28 ambi=1 { N:113.7 } atom: 1153 99L-HG G 1.47 ambi=1 { CG:26.5 } ::sumAvg: 4.715 atom: 1141 98S-H N 8.28 ambi=1 { N:113.7 } atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } :: atom: 1141 98S-H N 8.28 ambi=1 { N:113.7 } atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } ::sumAvg: 4.345 atom: 1213 104V-H N 8.15 ambi=1 { N:119.2 } atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } :: atom: 1213 104V-H N 8.15 ambi=1 { N:119.2 } atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } ::sumAvg: 4.725 atom: 1163 100N-H N 8.27 ambi=1 { N:118.9 } atom: 1167 100N-HD21 D2 7.6 ambi=2 { ND2:113 } :: atom: 1163 100N-H N 8.27 ambi=1 { N:118.9 } atom: 1168 100N-HD22 D2 6.91 ambi=2 { ND2:113 } ::sumAvg: 4.37 atom: 1167 100N-HD21 D2 7.6 ambi=2 { ND2:113 } atom: 1163 100N-H N 8.27 ambi=1 { N:118.9 } :: atom: 1168 100N-HD22 D2 6.91 ambi=2 { ND2:113 } atom: 1163 100N-H N 8.27 ambi=1 { N:118.9 } ::sumAvg: 4.37 atom: 1174 101E-H N 8.99 ambi=1 { N:121.8 } atom: 1163 100N-H N 8.27 ambi=1 { N:118.9 } ::sumAvg: 4.44 atom: 1163 100N-H N 8.27 ambi=1 { N:118.9 } atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } ::sumAvg: 3.96 atom: 1167 100N-HD21 D2 7.6 ambi=2 { ND2:113 } atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } :: atom: 1168 100N-HD22 D2 6.91 ambi=2 { ND2:113 } atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } ::sumAvg: 4.37 atom: 1185 102K-H N 8.16 ambi=1 { N:118.8 } atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } ::sumAvg: 4.3 atom: 1202 103E-H N 7.95 ambi=1 { N:120.1 } atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } ::sumAvg: 4.67 atom: 1202 103E-H N 7.95 ambi=1 { N:120.1 } atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } :: atom: 1202 103E-H N 7.95 ambi=1 { N:120.1 } atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } ::sumAvg: 3.48 atom: 1167 100N-HD21 D2 7.6 ambi=2 { ND2:113 } atom: 1174 101E-H N 8.99 ambi=1 { N:121.8 } :: atom: 1168 100N-HD22 D2 6.91 ambi=2 { ND2:113 } atom: 1174 101E-H N 8.99 ambi=1 { N:121.8 } ::sumAvg: 4.76 atom: 1174 101E-H N 8.99 ambi=1 { N:121.8 } atom: 1167 100N-HD21 D2 7.6 ambi=2 { ND2:113 } :: atom: 1174 101E-H N 8.99 ambi=1 { N:121.8 } atom: 1168 100N-HD22 D2 6.91 ambi=2 { ND2:113 } ::sumAvg: 4.76 atom: 1167 100N-HD21 D2 7.6 ambi=2 { ND2:113 } atom: 1185 102K-H N 8.16 ambi=1 { N:118.8 } :: atom: 1168 100N-HD22 D2 6.91 ambi=2 { ND2:113 } atom: 1185 102K-H N 8.16 ambi=1 { N:118.8 } ::sumAvg: 4.935 atom: 1185 102K-H N 8.16 ambi=1 { N:118.8 } atom: 1167 100N-HD21 D2 7.6 ambi=2 { ND2:113 } :: atom: 1185 102K-H N 8.16 ambi=1 { N:118.8 } atom: 1168 100N-HD22 D2 6.91 ambi=2 { ND2:113 } ::sumAvg: 4.935 atom: 1168 100N-HD22 D2 6.91 ambi=2 { ND2:113 } atom: 1202 103E-H N 7.95 ambi=1 { N:120.1 } ::sumAvg: 4.295 atom: 1202 103E-H N 7.95 ambi=1 { N:120.1 } atom: 1168 100N-HD22 D2 6.91 ambi=2 { ND2:113 } ::sumAvg: 4.295 atom: 1167 100N-HD21 D2 7.6 ambi=2 { ND2:113 } atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } :: atom: 1168 100N-HD22 D2 6.91 ambi=2 { ND2:113 } atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } ::sumAvg: 2.935 atom: 1174 101E-H N 8.99 ambi=1 { N:121.8 } atom: 1187 102K-HB2 B 1.84 ambi=2 { CB:32.2 } :: atom: 1174 101E-H N 8.99 ambi=1 { N:121.8 } atom: 1188 102K-HB3 B 1.92 ambi=2 { CB:32.2 } ::sumAvg: 4.81 atom: 1174 101E-H N 8.99 ambi=1 { N:121.8 } atom: 1202 103E-H N 7.95 ambi=1 { N:120.1 } ::sumAvg: 4.28 atom: 1202 103E-H N 7.95 ambi=1 { N:120.1 } atom: 1174 101E-H N 8.99 ambi=1 { N:121.8 } ::sumAvg: 4.28 atom: 1174 101E-H N 8.99 ambi=1 { N:121.8 } atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } :: atom: 1174 101E-H N 8.99 ambi=1 { N:121.8 } atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } ::sumAvg: 4.68 atom: 1241 106K-H N 7.41 ambi=1 { N:118.8 } atom: 1186 102K-HA A 3.9 ambi=1 { CA:59.9 } ::sumAvg: 4.34 atom: 1202 103E-H N 7.95 ambi=1 { N:120.1 } atom: 1191 102K-HD2 D 1.61 ambi=2 { CD:29.4 } :: atom: 1202 103E-H N 7.95 ambi=1 { N:120.1 } atom: 1192 102K-HD3 D 1.7 ambi=2 { CD:29.4 } ::sumAvg: 4.95 atom: 1241 106K-H N 7.41 ambi=1 { N:118.8 } atom: 1202 103E-H N 7.95 ambi=1 { N:120.1 } ::sumAvg: 4.76 atom: 1224 105K-H N 8.33 ambi=1 { N:116.9 } atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } ::sumAvg: 3.505 atom: 1241 106K-H N 7.41 ambi=1 { N:118.8 } atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } ::sumAvg: 4.075 atom: 1224 105K-H N 8.33 ambi=1 { N:116.9 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } ::sumAvg: 4.73 atom: 1272 108K-H N 9 ambi=1 { N:117.3 } atom: 1224 105K-H N 8.33 ambi=1 { N:116.9 } ::sumAvg: 4.73 atom: 1241 106K-H N 7.41 ambi=1 { N:118.8 } atom: 1243 106K-QB B 1.95 ambi=2 { CB:32.7 } ::sumAvg: 2.28 atom: 1241 106K-H N 7.41 ambi=1 { N:118.8 } atom: 1249 106K-QE E 2.98 ambi=2 { CE:42.1 } ::sumAvg: 4.775 atom: 1272 108K-H N 9 ambi=1 { N:117.3 } atom: 1243 106K-QB B 1.95 ambi=2 { CB:32.7 } ::sumAvg: 4.645 atom: 1289 109E-H N 7.31 ambi=1 { N:123 } atom: 1243 106K-QB B 1.95 ambi=2 { CB:32.7 } ::sumAvg: 4.995 atom: 1258 107L-H N 8.12 ambi=1 { N:119.5 } atom: 1247 106K-QD D 1.64 ambi=2 { CD:28.8 } ::sumAvg: 4.76 atom: 1258 107L-H N 8.12 ambi=1 { N:119.5 } atom: 1289 109E-H N 7.31 ambi=1 { N:123 } ::sumAvg: 4.235 atom: 1308 111V-H N 7.04 ambi=1 { N:119 } atom: 1259 107L-HA A 4.11 ambi=1 { CA:57.7 } ::sumAvg: 4.65 atom: 1272 108K-H N 9 ambi=1 { N:117.3 } atom: 1262 107L-HG G 1.77 ambi=1 { CG:27.1 } ::sumAvg: 4.375 atom: 1300 110D-H N 7.27 ambi=1 { N:121.1 } atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } :: atom: 1300 110D-H N 7.27 ambi=1 { N:121.1 } atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } ::sumAvg: 4.29 atom: 1308 111V-H N 7.04 ambi=1 { N:119 } atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } :: atom: 1308 111V-H N 7.04 ambi=1 { N:119 } atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } ::sumAvg: 4.49 atom: 1272 108K-H N 9 ambi=1 { N:117.3 } atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } ::sumAvg: 4.71 atom: 1300 110D-H N 7.27 ambi=1 { N:121.1 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } ::sumAvg: 4.115 atom: 1289 109E-H N 7.31 ambi=1 { N:123 } atom: 1280 108K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.785 atom: 1289 109E-H N 7.31 ambi=1 { N:123 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } :: atom: 1289 109E-H N 7.31 ambi=1 { N:123 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } ::sumAvg: 4.63 atom: 1289 109E-H N 7.31 ambi=1 { N:123 } atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } ::sumAvg: 4.595 atom: 1308 111V-H N 7.04 ambi=1 { N:119 } atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } ::sumAvg: 4.44 atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } ::sumAvg: 4.62 atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } atom: 1301 110D-HA A 4.55 ambi=1 { CA:57 } ::sumAvg: 4.305 atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } :: atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } ::sumAvg: 4.905 atom: 1308 111V-H N 7.04 ambi=1 { N:119 } atom: 1321 112R-HB2 B 2.03 ambi=2 { CB:29.1 } :: atom: 1308 111V-H N 7.04 ambi=1 { N:119 } atom: 1322 112R-HB3 B 2.16 ambi=2 { CB:29.1 } ::sumAvg: 4.825 atom: 1308 111V-H N 7.04 ambi=1 { N:119 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } ::sumAvg: 4.16 atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } atom: 1308 111V-H N 7.04 ambi=1 { N:119 } ::sumAvg: 4.16 atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } ::sumAvg: 4.08 atom: 1364 115V-H N 8.45 ambi=1 { N:119.3 } atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } ::sumAvg: 4.305 atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } atom: 1325 112R-HD2 D 3.02 ambi=2 { CD:42.6 } :: atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } atom: 1326 112R-HD3 D 3.21 ambi=2 { CD:42.6 } ::sumAvg: 4.915 atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } ::sumAvg: 4.27 atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } ::sumAvg: 4.27 atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } atom: 1320 112R-HA A 3.15 ambi=1 { CA:60.2 } ::sumAvg: 4.4 atom: 1375 116I-H N 8.44 ambi=1 { N:118.4 } atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } :: atom: 1375 116I-H N 8.44 ambi=1 { N:118.4 } atom: 1324 112R-HG3 G 1.03 ambi=2 { CG:26.8 } ::sumAvg: 4.405 atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } atom: 1325 112R-HD2 D 3.02 ambi=2 { CD:42.6 } :: atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } atom: 1326 112R-HD3 D 3.21 ambi=2 { CD:42.6 } ::sumAvg: 4.78 atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } ::sumAvg: 4.47 atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } atom: 1364 115V-H N 8.45 ambi=1 { N:119.3 } ::sumAvg: 4.155 atom: 1364 115V-H N 8.45 ambi=1 { N:119.3 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } ::sumAvg: 4.155 atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } atom: 1375 116I-H N 8.44 ambi=1 { N:118.4 } ::sumAvg: 4.805 atom: 1375 116I-H N 8.44 ambi=1 { N:118.4 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } ::sumAvg: 4.805 atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } :: atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } atom: 1379 116I-HG13 G1 1.23 ambi=2 { CG1:28.6 } ::sumAvg: 4.865 atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } ::sumAvg: 4.515 atom: 1364 115V-H N 8.45 ambi=1 { N:119.3 } atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } ::sumAvg: 4.425 atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } atom: 1389 117F-H N 8.13 ambi=1 { N:119.6 } ::sumAvg: 4.735 atom: 1389 117F-H N 8.13 ambi=1 { N:119.6 } atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } ::sumAvg: 4.735 atom: 1364 115V-H N 8.45 ambi=1 { N:119.3 } atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } :: atom: 1364 115V-H N 8.45 ambi=1 { N:119.3 } atom: 1379 116I-HG13 G1 1.23 ambi=2 { CG1:28.6 } ::sumAvg: 4.365 atom: 1364 115V-H N 8.45 ambi=1 { N:119.3 } atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 4.845 atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } atom: 1365 115V-HA A 3.33 ambi=1 { CA:67.4 } ::sumAvg: 4.205 atom: 1375 116I-H N 8.44 ambi=1 { N:118.4 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.78 atom: 1375 116I-H N 8.44 ambi=1 { N:118.4 } atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 4.825 atom: 1375 116I-H N 8.44 ambi=1 { N:118.4 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } ::sumAvg: 4.715 atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } atom: 1375 116I-H N 8.44 ambi=1 { N:118.4 } ::sumAvg: 4.715 atom: 1403 118A-H N 8.37 ambi=1 { N:122.9 } atom: 1376 116I-HA A 3.62 ambi=1 { CA:64.2 } ::sumAvg: 4.35 atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } atom: 1380 116I-HG2 G2 0.84 ambi=1 { CG2:17.3 } ::sumAvg: 4.62 atom: 1421 120N-H N 8.75 ambi=1 { N:118.8 } atom: 1380 116I-HG2 G2 0.84 ambi=1 { CG2:17.3 } ::sumAvg: 4.655 atom: 1389 117F-H N 8.13 ambi=1 { N:119.6 } atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } ::sumAvg: 4.365 atom: 1389 117F-H N 8.13 ambi=1 { N:119.6 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 4.515 atom: 1389 117F-H N 8.13 ambi=1 { N:119.6 } atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 4.335 atom: 1389 117F-H N 8.13 ambi=1 { N:119.6 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } ::sumAvg: 4.025 atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } atom: 1389 117F-H N 8.13 ambi=1 { N:119.6 } ::sumAvg: 4.025 atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } ::sumAvg: 4.43 atom: 1425 120N-HD21 D2 6.87 ambi=2 { ND2:111.4 } atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } :: atom: 1426 120N-HD22 D2 7.54 ambi=2 { ND2:111.4 } atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } ::sumAvg: 3.38 atom: 1432 121S-H N 7.75 ambi=1 { N:115.9 } atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } ::sumAvg: 4.41 atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } :: atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } ::sumAvg: 4.98 atom: 1403 118A-H N 8.37 ambi=1 { N:122.9 } atom: 1412 119V-HB B 2.07 ambi=1 { CB:31.8 } ::sumAvg: 4.765 atom: 1403 118A-H N 8.37 ambi=1 { N:122.9 } atom: 1432 121S-H N 7.75 ambi=1 { N:115.9 } ::sumAvg: 4.785 atom: 1432 121S-H N 7.75 ambi=1 { N:115.9 } atom: 1403 118A-H N 8.37 ambi=1 { N:122.9 } ::sumAvg: 4.785 atom: 1440 122L-H N 7.51 ambi=1 { N:122.2 } atom: 1404 118A-HA A 4 ambi=1 { CA:55.4 } ::sumAvg: 4.325 atom: 1421 120N-H N 8.75 ambi=1 { N:118.8 } atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 4.51 atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } atom: 1432 121S-H N 7.75 ambi=1 { N:115.9 } ::sumAvg: 4.025 atom: 1432 121S-H N 7.75 ambi=1 { N:115.9 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } ::sumAvg: 4.025 atom: 1440 122L-H N 7.51 ambi=1 { N:122.2 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } ::sumAvg: 4.735 atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } atom: 1442 122L-QB B 1.73 ambi=2 { CB:42.2 } ::sumAvg: 4.905 atom: 1432 121S-H N 7.75 ambi=1 { N:115.9 } atom: 1411 119V-HA A 3.51 ambi=1 { CA:66.7 } ::sumAvg: 4.255 atom: 1454 123E-H N 7.91 ambi=1 { N:117.9 } atom: 1411 119V-HA A 3.51 ambi=1 { CA:66.7 } ::sumAvg: 4.32 atom: 1432 121S-H N 7.75 ambi=1 { N:115.9 } atom: 1412 119V-HB B 2.07 ambi=1 { CB:31.8 } ::sumAvg: 4.985 atom: 1465 124H-H N 8.1 ambi=1 { N:116.4 } atom: 1413 119V-HG1 G1 0.91 ambi=2 { CG1:21.2 } :: atom: 1465 124H-H N 8.1 ambi=1 { N:116.4 } atom: 1414 119V-HG2 G2 0.98 ambi=2 { CG2:22.6 } ::sumAvg: 4.71 atom: 1421 120N-H N 8.75 ambi=1 { N:118.8 } atom: 1425 120N-HD21 D2 6.87 ambi=2 { ND2:111.4 } :: atom: 1421 120N-H N 8.75 ambi=1 { N:118.8 } atom: 1426 120N-HD22 D2 7.54 ambi=2 { ND2:111.4 } ::sumAvg: 4.325 atom: 1425 120N-HD21 D2 6.87 ambi=2 { ND2:111.4 } atom: 1421 120N-H N 8.75 ambi=1 { N:118.8 } :: atom: 1426 120N-HD22 D2 7.54 ambi=2 { ND2:111.4 } atom: 1421 120N-H N 8.75 ambi=1 { N:118.8 } ::sumAvg: 4.325 atom: 1421 120N-H N 8.75 ambi=1 { N:118.8 } atom: 1440 122L-H N 7.51 ambi=1 { N:122.2 } ::sumAvg: 4.045 atom: 1440 122L-H N 7.51 ambi=1 { N:122.2 } atom: 1421 120N-H N 8.75 ambi=1 { N:118.8 } ::sumAvg: 4.045 atom: 1421 120N-H N 8.75 ambi=1 { N:118.8 } atom: 1442 122L-QB B 1.73 ambi=2 { CB:42.2 } ::sumAvg: 4.93 atom: 1454 123E-H N 7.91 ambi=1 { N:117.9 } atom: 1421 120N-H N 8.75 ambi=1 { N:118.8 } ::sumAvg: 4.8 atom: 1425 120N-HD21 D2 6.87 ambi=2 { ND2:111.4 } atom: 1422 120N-HA A 4.44 ambi=1 { CA:55.6 } :: atom: 1426 120N-HD22 D2 7.54 ambi=2 { ND2:111.4 } atom: 1422 120N-HA A 4.44 ambi=1 { CA:55.6 } ::sumAvg: 4.285 atom: 1440 122L-H N 7.51 ambi=1 { N:122.2 } atom: 1422 120N-HA A 4.44 ambi=1 { CA:55.6 } ::sumAvg: 4.225 atom: 1425 120N-HD21 D2 6.87 ambi=2 { ND2:111.4 } atom: 1432 121S-H N 7.75 ambi=1 { N:115.9 } ::sumAvg: 4.735 atom: 1432 121S-H N 7.75 ambi=1 { N:115.9 } atom: 1425 120N-HD21 D2 6.87 ambi=2 { ND2:111.4 } ::sumAvg: 4.735 atom: 1465 124H-H N 8.1 ambi=1 { N:116.4 } atom: 1442 122L-QB B 1.73 ambi=2 { CB:42.2 } ::sumAvg: 4.095 atom: 1473 125H-H N 8.13 ambi=1 { N:117.4 } atom: 1456 123E-QB B 1.98 ambi=2 { CB:29.2 } ::sumAvg: 4.535 atom: 1465 124H-H N 8.1 ambi=1 { N:116.4 } atom: 1458 123E-HG2 G 2.26 ambi=2 { CG:35.1 } :: atom: 1465 124H-H N 8.1 ambi=1 { N:116.4 } atom: 1459 123E-HG3 G 2.36 ambi=2 { CG:35.1 } ::sumAvg: 4.305 atom: 1473 125H-H N 8.13 ambi=1 { N:117.4 } atom: 1482 126H-HA A 4.68 ambi=1 { CA:55.3 } ::sumAvg: 4.82 atom: 1497 128H-H N 8.55 ambi=1 { N:120.3 } atom: 1483 126H-HB2 B 3.15 ambi=2 { CB:28.8 } :: atom: 1497 128H-H N 8.55 ambi=1 { N:120.3 } atom: 1484 126H-HB3 B 3.24 ambi=2 { CB:28.8 } ::sumAvg: 4.61 atom: 1497 128H-H N 8.55 ambi=1 { N:120.3 } atom: 1491 127H-HB2 B 3.24 ambi=2 { CB:29.3 } :: atom: 1497 128H-H N 8.55 ambi=1 { N:120.3 } atom: 1492 127H-HB3 B 3.15 ambi=2 { CB:29.3 } ::sumAvg: 3.35 atom: 1505 129H-H N 8.39 ambi=1 { N:125.5 } atom: 1491 127H-HB2 B 3.24 ambi=2 { CB:29.3 } :: atom: 1505 129H-H N 8.39 ambi=1 { N:125.5 } atom: 1492 127H-HB3 B 3.15 ambi=2 { CB:29.3 } ::sumAvg: 4.715 atom: 1497 128H-H N 8.55 ambi=1 { N:120.3 } atom: 1499 128H-QB B 3.24 ambi=2 { CB:29.4 } ::sumAvg: 2.85 atom: 1505 129H-H N 8.39 ambi=1 { N:125.5 } atom: 1499 128H-QB B 3.24 ambi=2 { CB:29.4 } ::sumAvg: 2.86 atom: 1505 129H-H N 8.39 ambi=1 { N:125.5 } atom: 1507 129H-QB B 3.24 ambi=2 { CB:29.6 } ::sumAvg: 2.68 # Missing interactons for c_aro.peaks atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } ::sumAvg: 3.69 atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } ::sumAvg: 4.45 atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } ::sumAvg: 4.745 atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } ::sumAvg: 4.725 atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } ::sumAvg: 4.75 atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } atom: 69 9V-HB B 1.85 ambi=1 { CB:31.4 } ::sumAvg: 3.815 atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } atom: 78 10Y-H N 8.18 ambi=1 { N:117.8 } ::sumAvg: 4.78 atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } ::sumAvg: 4.395 atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } atom: 92 11Y-H N 8.11 ambi=1 { N:120 } ::sumAvg: 4.525 atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } ::sumAvg: 3.23 atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.13 atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } ::sumAvg: 4.63 atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 3.84 atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.235 atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } atom: 107 12E-HA A 3.97 ambi=1 { CA:59 } ::sumAvg: 4.715 atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } ::sumAvg: 3.755 atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } atom: 1280 108K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.785 atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } atom: 1289 109E-H N 7.31 ambi=1 { N:123 } ::sumAvg: 4.935 atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } ::sumAvg: 4.025 atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } ::sumAvg: 4.23 atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 3.89 atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } atom: 137 15E-HB2 B 2.32 ambi=2 { CB:30.2 } :: atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } atom: 138 15E-HB3 B 1.99 ambi=2 { CB:30.2 } ::sumAvg: 4.885 atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } ::sumAvg: 4.325 atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } ::sumAvg: 4.58 atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } :: atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } ::sumAvg: 4.79 atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } ::sumAvg: 3.755 atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } ::sumAvg: 4.43 atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } atom: 1320 112R-HA A 3.15 ambi=1 { CA:60.2 } ::sumAvg: 3.86 atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } atom: 1321 112R-HB2 B 2.03 ambi=2 { CB:29.1 } :: atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } atom: 1322 112R-HB3 B 2.16 ambi=2 { CB:29.1 } ::sumAvg: 4.075 atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 118 13E-HA A 3.82 ambi=1 { CA:58.7 } ::sumAvg: 4.875 atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 119 13E-HB2 B 1.83 ambi=2 { CB:28.9 } :: atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 120 13E-HB3 B 2.39 ambi=2 { CB:28.9 } ::sumAvg: 3.775 atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 119 13E-HB2 B 1.83 ambi=2 { CB:28.9 } :: atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 120 13E-HB3 B 2.39 ambi=2 { CB:28.9 } ::sumAvg: 3.17 atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 121 13E-HG2 G 2.26 ambi=2 { CG:34.9 } :: atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 122 13E-HG3 G 2.71 ambi=2 { CG:34.9 } ::sumAvg: 4.95 atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } ::sumAvg: 4.65 atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } ::sumAvg: 4.955 atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.395 atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 2.685 atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } ::sumAvg: 4.845 atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 148 16E-HB2 B 1.99 ambi=2 { CB:28.1 } :: atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } ::sumAvg: 3.89 atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 148 16E-HB2 B 1.99 ambi=2 { CB:28.1 } :: atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } ::sumAvg: 4.685 atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 150 16E-HG2 G 2.34 ambi=2 { CG:34.6 } :: atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 151 16E-HG3 G 2.15 ambi=2 { CG:34.6 } ::sumAvg: 4.715 atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 157 17F-H N 8.03 ambi=1 { N:119.5 } ::sumAvg: 4.795 atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } :: atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } ::sumAvg: 4.38 atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } :: atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } ::sumAvg: 3.41 atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } ::sumAvg: 2.765 atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } ::sumAvg: 4.36 atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 4.025 atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 250 25Q-HA A 3.76 ambi=1 { CA:58.8 } ::sumAvg: 4.815 atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 251 25Q-HB2 B 0.53 ambi=2 { CB:26.7 } :: atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 252 25Q-HB3 B 0.73 ambi=2 { CB:26.7 } ::sumAvg: 2.955 atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 253 25Q-HG2 G 1.77 ambi=2 { CG:35.3 } :: atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 254 25Q-HG3 G 2.09 ambi=2 { CG:35.3 } ::sumAvg: 4.225 atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } ::sumAvg: 4.885 atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } ::sumAvg: 3.705 atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } ::sumAvg: 3.575 atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 201 20K-QE E 2.93 ambi=2 { CE:42.1 } ::sumAvg: 4.885 atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 253 25Q-HG2 G 1.77 ambi=2 { CG:35.3 } :: atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 254 25Q-HG3 G 2.09 ambi=2 { CG:35.3 } ::sumAvg: 3.96 atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 255 25Q-HE21 E2 7.67 ambi=2 { NE2:113.7 } :: atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 256 25Q-HE22 E2 6.72 ambi=2 { NE2:113.7 } ::sumAvg: 4.565 atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } ::sumAvg: 4.83 atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 2.015 atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 4.2 atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 4.58 atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } atom: 271 27C-HA A 4.1 ambi=1 { CA:66.5 } ::sumAvg: 2.845 atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } atom: 271 27C-HA A 4.1 ambi=1 { CA:66.5 } ::sumAvg: 4.115 atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } :: atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } ::sumAvg: 4.945 atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } atom: 279 28E-HA A 4.48 ambi=1 { CA:57.9 } ::sumAvg: 3.98 atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } ::sumAvg: 3.58 atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } ::sumAvg: 2.915 atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } ::sumAvg: 4.98 atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } atom: 320 31Y-H N 8.23 ambi=1 { N:118.8 } ::sumAvg: 3.755 atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } atom: 321 31Y-HA A 4.07 ambi=1 { CA:62.3 } ::sumAvg: 4.39 atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } ::sumAvg: 4.675 atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } ::sumAvg: 4.31 atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } ::sumAvg: 4.45 atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } ::sumAvg: 4.41 atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } :: atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } ::sumAvg: 4.7 atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } ::sumAvg: 3.68 atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } :: atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } ::sumAvg: 4.005 atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } ::sumAvg: 3.245 atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } ::sumAvg: 4.845 atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } ::sumAvg: 4.57 atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } ::sumAvg: 4.57 atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } ::sumAvg: 3.375 atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } ::sumAvg: 3.765 atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } :: atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } ::sumAvg: 4.55 atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } atom: 342 32K-QE E 2.76 ambi=2 { CE:41.9 } ::sumAvg: 4.85 atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } atom: 367 35E-HB2 B 1.86 ambi=2 { CB:29.6 } :: atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } atom: 368 35E-HB3 B 1.88 ambi=2 { CB:29.6 } ::sumAvg: 4.525 atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } ::sumAvg: 4.825 atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } :: atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } ::sumAvg: 4.665 atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } ::sumAvg: 4.73 atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } ::sumAvg: 4.605 atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } atom: 338 32K-HG2 G 1.3 ambi=2 { CG:25 } :: atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } atom: 339 32K-HG3 G 1.2 ambi=2 { CG:25 } ::sumAvg: 4.79 atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } ::sumAvg: 4.985 atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } atom: 1058 90H-H N 7.46 ambi=1 { N:117.1 } ::sumAvg: 4.815 atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } ::sumAvg: 4.705 atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } ::sumAvg: 4.535 atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } ::sumAvg: 4.695 atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } atom: 397 38I-HG12 G1 0.87 ambi=2 { CG1:27.4 } :: atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } ::sumAvg: 4.56 atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } ::sumAvg: 3.895 atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } ::sumAvg: 4.11 atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } ::sumAvg: 4.08 atom: 682 60W-HZ3 Z3 6.58 ambi=1 { CZ3:119.9 } atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } ::sumAvg: 4.38 atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } ::sumAvg: 4.555 atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } ::sumAvg: 4.63 atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } :: atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } ::sumAvg: 4.885 atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } :: atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } ::sumAvg: 4.795 atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } atom: 414 39K-HD2 D 1.64 ambi=2 { CD:28.8 } :: atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } atom: 415 39K-HD3 D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 4.625 atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } ::sumAvg: 4.215 atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } ::sumAvg: 4.635 atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } ::sumAvg: 3.925 atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } ::sumAvg: 4.255 atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } atom: 568 51T-HA A 3.71 ambi=1 { CA:64.7 } ::sumAvg: 4.725 atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } atom: 568 51T-HA A 3.71 ambi=1 { CA:64.7 } ::sumAvg: 4.635 atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 3.84 atom: 682 60W-HZ3 Z3 6.58 ambi=1 { CZ3:119.9 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 682 60W-HZ3 Z3 6.58 ambi=1 { CZ3:119.9 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 4.24 atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 3.545 atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } atom: 661 59R-HA A 4.48 ambi=1 { CA:55.7 } ::sumAvg: 4.985 atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } atom: 674 60W-H N 8.87 ambi=1 { N:123.4 } ::sumAvg: 3.505 atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } atom: 674 60W-H N 8.87 ambi=1 { N:123.4 } ::sumAvg: 3.685 atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } ::sumAvg: 3.225 atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } ::sumAvg: 3.875 atom: 682 60W-HZ3 Z3 6.58 ambi=1 { CZ3:119.9 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 682 60W-HZ3 Z3 6.58 ambi=1 { CZ3:119.9 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } ::sumAvg: 4.99 atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } ::sumAvg: 2.63 atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } ::sumAvg: 4.98 atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } ::sumAvg: 4.745 atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } ::sumAvg: 2.795 atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } ::sumAvg: 4.98 atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } atom: 682 60W-HZ3 Z3 6.58 ambi=1 { CZ3:119.9 } ::sumAvg: 2.435 atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } ::sumAvg: 4.765 atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } ::sumAvg: 4.61 atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } atom: 682 60W-HZ3 Z3 6.58 ambi=1 { CZ3:119.9 } ::sumAvg: 4.295 atom: 682 60W-HZ3 Z3 6.58 ambi=1 { CZ3:119.9 } atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } ::sumAvg: 4.295 atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } atom: 682 60W-HZ3 Z3 6.58 ambi=1 { CZ3:119.9 } ::sumAvg: 2.435 atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } ::sumAvg: 4.36 atom: 761 66F-QE E 6.53 ambi=3 { CE1:131.1 } atom: 756 66F-HA A 3.76 ambi=1 { CA:62.4 } ::sumAvg: 4.485 atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } atom: 756 66F-HA A 3.76 ambi=1 { CA:62.4 } ::sumAvg: 4.54 atom: 970 83W-HZ2 Z2 7.14 ambi=1 { CZ2:114.2 } atom: 756 66F-HA A 3.76 ambi=1 { CA:62.4 } ::sumAvg: 4.57 atom: 970 83W-HZ2 Z2 7.14 ambi=1 { CZ2:114.2 } atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } :: atom: 970 83W-HZ2 Z2 7.14 ambi=1 { CZ2:114.2 } atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } ::sumAvg: 4.125 atom: 972 83W-HH2 H2 6.82 ambi=1 { CH2:123.8 } atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } :: atom: 972 83W-HH2 H2 6.82 ambi=1 { CH2:123.8 } atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } ::sumAvg: 4.92 atom: 1019 87W-HD1 D1 7.33 ambi=1 { CD1:126.7 } atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } :: atom: 1019 87W-HD1 D1 7.33 ambi=1 { CD1:126.7 } atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } ::sumAvg: 4.915 atom: 970 83W-HZ2 Z2 7.14 ambi=1 { CZ2:114.2 } atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } ::sumAvg: 4.875 atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } :: atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } ::sumAvg: 4.395 atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } :: atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } ::sumAvg: 3.71 atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } atom: 769 67K-H N 7.99 ambi=1 { N:120.8 } ::sumAvg: 3.72 atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } ::sumAvg: 4.54 atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } atom: 773 67K-HG2 G 1.54 ambi=2 { CG:25.4 } :: atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } atom: 774 67K-HG3 G 1.35 ambi=2 { CG:25.4 } ::sumAvg: 3.89 atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } atom: 809 70K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.8 atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } ::sumAvg: 4.65 atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } ::sumAvg: 4.775 atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } :: atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } ::sumAvg: 4.51 atom: 761 66F-QE E 6.53 ambi=3 { CE1:131.1 } atom: 809 70K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.96 atom: 761 66F-QE E 6.53 ambi=3 { CE1:131.1 } atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } ::sumAvg: 4.545 atom: 761 66F-QE E 6.53 ambi=3 { CE1:131.1 } atom: 987 84K-HG2 G 1.82 ambi=2 { CG:25.5 } :: atom: 761 66F-QE E 6.53 ambi=3 { CE1:131.1 } atom: 988 84K-HG3 G 1.59 ambi=2 { CG:25.5 } ::sumAvg: 4.5 atom: 761 66F-QE E 6.53 ambi=3 { CE1:131.1 } atom: 991 84K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.68 atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } :: atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } ::sumAvg: 3.97 atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } :: atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } ::sumAvg: 4.74 atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } :: atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } ::sumAvg: 3.51 atom: 1021 87W-HE3 E3 7.28 ambi=1 { CE3:120.4 } atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } ::sumAvg: 4.45 atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 901 78E-HB2 B 1.95 ambi=2 { CB:30.1 } :: atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 902 78E-HB3 B 2.11 ambi=2 { CB:30.1 } ::sumAvg: 3.325 atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } ::sumAvg: 4.125 atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } ::sumAvg: 3.725 atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } ::sumAvg: 3.17 atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } ::sumAvg: 2.57 atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } ::sumAvg: 2.845 atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } ::sumAvg: 4.83 atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } ::sumAvg: 3.745 atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } ::sumAvg: 4.55 atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } ::sumAvg: 4.485 atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } :: atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } ::sumAvg: 4.635 atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } ::sumAvg: 4.415 atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } ::sumAvg: 3.69 atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } ::sumAvg: 4.78 atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } ::sumAvg: 3.785 atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } ::sumAvg: 3.445 atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } ::sumAvg: 2.465 atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } ::sumAvg: 2.755 atom: 971 83W-HZ3 Z3 6.68 ambi=1 { CZ3:121.6 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } ::sumAvg: 4.915 atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } ::sumAvg: 4.975 atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } ::sumAvg: 2.635 atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } ::sumAvg: 4.91 atom: 970 83W-HZ2 Z2 7.14 ambi=1 { CZ2:114.2 } atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } ::sumAvg: 2.79 atom: 972 83W-HH2 H2 6.82 ambi=1 { CH2:123.8 } atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } ::sumAvg: 4.975 atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } ::sumAvg: 4.78 atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } atom: 971 83W-HZ3 Z3 6.68 ambi=1 { CZ3:121.6 } ::sumAvg: 2.435 atom: 971 83W-HZ3 Z3 6.68 ambi=1 { CZ3:121.6 } atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } ::sumAvg: 2.435 atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } ::sumAvg: 4.27 atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } ::sumAvg: 4.425 atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } :: atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } ::sumAvg: 4.005 atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } ::sumAvg: 4.615 atom: 970 83W-HZ2 Z2 7.14 ambi=1 { CZ2:114.2 } atom: 971 83W-HZ3 Z3 6.68 ambi=1 { CZ3:121.6 } ::sumAvg: 4.295 atom: 971 83W-HZ3 Z3 6.68 ambi=1 { CZ3:121.6 } atom: 970 83W-HZ2 Z2 7.14 ambi=1 { CZ2:114.2 } ::sumAvg: 4.295 atom: 970 83W-HZ2 Z2 7.14 ambi=1 { CZ2:114.2 } atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } :: atom: 970 83W-HZ2 Z2 7.14 ambi=1 { CZ2:114.2 } atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } ::sumAvg: 4.895 atom: 971 83W-HZ3 Z3 6.68 ambi=1 { CZ3:121.6 } atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } ::sumAvg: 2.435 atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } atom: 971 83W-HZ3 Z3 6.68 ambi=1 { CZ3:121.6 } ::sumAvg: 2.435 atom: 971 83W-HZ3 Z3 6.68 ambi=1 { CZ3:121.6 } atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } :: atom: 971 83W-HZ3 Z3 6.68 ambi=1 { CZ3:121.6 } atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } ::sumAvg: 4.6 atom: 1019 87W-HD1 D1 7.33 ambi=1 { CD1:126.7 } atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } ::sumAvg: 4.815 atom: 1021 87W-HE3 E3 7.28 ambi=1 { CE3:120.4 } atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } ::sumAvg: 4.62 atom: 1019 87W-HD1 D1 7.33 ambi=1 { CD1:126.7 } atom: 1016 87W-HA A 4.03 ambi=1 { CA:59.6 } ::sumAvg: 3.2 atom: 1021 87W-HE3 E3 7.28 ambi=1 { CE3:120.4 } atom: 1016 87W-HA A 4.03 ambi=1 { CA:59.6 } ::sumAvg: 3.735 atom: 1021 87W-HE3 E3 7.28 ambi=1 { CE3:120.4 } atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } :: atom: 1021 87W-HE3 E3 7.28 ambi=1 { CE3:120.4 } atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } ::sumAvg: 2.72 atom: 1019 87W-HD1 D1 7.33 ambi=1 { CD1:126.7 } atom: 1020 87W-HE1 E1 10.27 ambi=1 { NE1:129.3 } ::sumAvg: 2.7 atom: 1019 87W-HD1 D1 7.33 ambi=1 { CD1:126.7 } atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } ::sumAvg: 4.84 atom: 1022 87W-HZ2 Z2 7.63 ambi=1 { CZ2:114.5 } atom: 1020 87W-HE1 E1 10.27 ambi=1 { NE1:129.3 } ::sumAvg: 2.76 atom: 1024 87W-HH2 H2 7.44 ambi=1 { CH2:123.8 } atom: 1020 87W-HE1 E1 10.27 ambi=1 { NE1:129.3 } ::sumAvg: 4.995 atom: 1021 87W-HE3 E3 7.28 ambi=1 { CE3:120.4 } atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } ::sumAvg: 4.39 atom: 1021 87W-HE3 E3 7.28 ambi=1 { CE3:120.4 } atom: 1036 88T-HA A 3.78 ambi=1 { CA:67.1 } ::sumAvg: 4.895 atom: 1021 87W-HE3 E3 7.28 ambi=1 { CE3:120.4 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1021 87W-HE3 E3 7.28 ambi=1 { CE3:120.4 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } ::sumAvg: 4.535 atom: 1023 87W-HZ3 Z3 7.36 ambi=1 { CZ3:121.3 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1023 87W-HZ3 Z3 7.36 ambi=1 { CZ3:121.3 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } ::sumAvg: 4.595 atom: 1024 87W-HH2 H2 7.44 ambi=1 { CH2:123.8 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1024 87W-HH2 H2 7.44 ambi=1 { CH2:123.8 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } ::sumAvg: 4.35 atom: 1098 94F-QD D 7.01 ambi=3 { CD1:131.1 } atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } ::sumAvg: 4.9 atom: 1098 94F-QD D 7.01 ambi=3 { CD1:131.1 } atom: 1089 93G-HA2 A 3.84 ambi=2 { CA:46.6 } :: atom: 1098 94F-QD D 7.01 ambi=3 { CD1:131.1 } atom: 1090 93G-HA3 A 3.91 ambi=2 { CA:46.6 } ::sumAvg: 4.955 atom: 1100 94F-QE E 7.1 ambi=3 { CE1:130.6 } atom: 1095 94F-HA A 4.52 ambi=1 { CA:58.2 } ::sumAvg: 4.455 atom: 1098 94F-QD D 7.01 ambi=3 { CD1:131.1 } atom: 1108 95H-H N 7.86 ambi=1 { N:116.4 } ::sumAvg: 4.025 atom: 1098 94F-QD D 7.01 ambi=3 { CD1:131.1 } atom: 1109 95H-HA A 4.58 ambi=1 { CA:55.8 } ::sumAvg: 4.915 atom: 1098 94F-QD D 7.01 ambi=3 { CD1:131.1 } atom: 1110 95H-HB2 B 3.21 ambi=2 { CB:28.5 } :: atom: 1098 94F-QD D 7.01 ambi=3 { CD1:131.1 } atom: 1111 95H-HB3 B 3.29 ambi=2 { CB:28.5 } ::sumAvg: 4.39 atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } ::sumAvg: 4.8 atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } ::sumAvg: 4.505 atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 1335 113K-HB2 B 2.02 ambi=2 { CB:33 } :: atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } ::sumAvg: 3.365 atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 1337 113K-HG2 G 1.74 ambi=2 { CG:26.1 } :: atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 1338 113K-HG3 G 1.3 ambi=2 { CG:26.1 } ::sumAvg: 4.775 atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 1339 113K-HD2 D 1.7 ambi=2 { CD:29.8 } :: atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 1340 113K-HD3 D 1.73 ambi=2 { CD:29.8 } ::sumAvg: 4.875 atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } ::sumAvg: 4.785 atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } atom: 1351 114L-HA A 3.99 ambi=1 { CA:58.1 } ::sumAvg: 2.455 atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 1351 114L-HA A 3.99 ambi=1 { CA:58.1 } ::sumAvg: 3.81 atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } atom: 1352 114L-HB2 B 2 ambi=2 { CB:42.3 } :: atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } atom: 1353 114L-HB3 B 1.86 ambi=2 { CB:42.3 } ::sumAvg: 4.535 atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } atom: 1354 114L-HG G 1.77 ambi=1 { CG:27.1 } ::sumAvg: 4.56 atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } ::sumAvg: 2.35 atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } ::sumAvg: 3.415 atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } atom: 1375 116I-H N 8.44 ambi=1 { N:118.4 } ::sumAvg: 4.78 atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } atom: 1377 116I-HB B 1.82 ambi=1 { CB:36.9 } ::sumAvg: 3.85 atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 1377 116I-HB B 1.82 ambi=1 { CB:36.9 } ::sumAvg: 4.685 atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 1389 117F-H N 8.13 ambi=1 { N:119.6 } ::sumAvg: 4.515 atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } :: atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } ::sumAvg: 4.395 atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } :: atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } ::sumAvg: 4.22 # Missing interactons for c_ali.peaks atom: 13 3I-HG12 G1 1.46 ambi=2 { CG1:27.2 } atom: 2 2S-H N 8.27 ambi=1 { N:115.9 } :: atom: 14 3I-HG13 G1 1.15 ambi=2 { CG1:27.2 } atom: 2 2S-H N 8.27 ambi=1 { N:115.9 } ::sumAvg: 4.8 atom: 11 3I-HA A 4.24 ambi=1 { CA:61.3 } atom: 2 2S-H N 8.27 ambi=1 { N:115.9 } ::sumAvg: 4.735 atom: 15 3I-HG2 G2 0.9 ambi=1 { CG2:17.9 } atom: 2 2S-H N 8.27 ambi=1 { N:115.9 } ::sumAvg: 4.55 atom: 13 3I-HG12 G1 1.46 ambi=2 { CG1:27.2 } atom: 26 4S-QB B 3.76 ambi=2 { CB:64.2 } :: atom: 14 3I-HG13 G1 1.15 ambi=2 { CG1:27.2 } atom: 26 4S-QB B 3.76 ambi=2 { CB:64.2 } ::sumAvg: 4.655 atom: 26 4S-QB B 3.76 ambi=2 { CB:64.2 } atom: 13 3I-HG12 G1 1.46 ambi=2 { CG1:27.2 } :: atom: 26 4S-QB B 3.76 ambi=2 { CB:64.2 } atom: 14 3I-HG13 G1 1.15 ambi=2 { CG1:27.2 } ::sumAvg: 4.655 atom: 13 3I-HG12 G1 1.46 ambi=2 { CG1:27.2 } atom: 32 5T-H N 8.11 ambi=1 { N:114 } :: atom: 14 3I-HG13 G1 1.15 ambi=2 { CG1:27.2 } atom: 32 5T-H N 8.11 ambi=1 { N:114 } ::sumAvg: 4.925 atom: 3 2S-HA A 4.51 ambi=1 { CA:58.2 } atom: 13 3I-HG12 G1 1.46 ambi=2 { CG1:27.2 } :: atom: 3 2S-HA A 4.51 ambi=1 { CA:58.2 } atom: 14 3I-HG13 G1 1.15 ambi=2 { CG1:27.2 } ::sumAvg: 4.535 atom: 13 3I-HG12 G1 1.46 ambi=2 { CG1:27.2 } atom: 3 2S-HA A 4.51 ambi=1 { CA:58.2 } :: atom: 14 3I-HG13 G1 1.15 ambi=2 { CG1:27.2 } atom: 3 2S-HA A 4.51 ambi=1 { CA:58.2 } ::sumAvg: 4.535 atom: 15 3I-HG2 G2 0.9 ambi=1 { CG2:17.9 } atom: 3 2S-HA A 4.51 ambi=1 { CA:58.2 } ::sumAvg: 4.695 atom: 4 2S-HB2 B 3.92 ambi=2 { CB:64 } atom: 13 3I-HG12 G1 1.46 ambi=2 { CG1:27.2 } :: atom: 4 2S-HB2 B 3.92 ambi=2 { CB:64 } atom: 14 3I-HG13 G1 1.15 ambi=2 { CG1:27.2 } :: atom: 5 2S-HB3 B 3.8 ambi=2 { CB:64 } atom: 13 3I-HG12 G1 1.46 ambi=2 { CG1:27.2 } :: atom: 5 2S-HB3 B 3.8 ambi=2 { CB:64 } atom: 14 3I-HG13 G1 1.15 ambi=2 { CG1:27.2 } ::sumAvg: 4.66 atom: 13 3I-HG12 G1 1.46 ambi=2 { CG1:27.2 } atom: 4 2S-HB2 B 3.92 ambi=2 { CB:64 } :: atom: 14 3I-HG13 G1 1.15 ambi=2 { CG1:27.2 } atom: 4 2S-HB2 B 3.92 ambi=2 { CB:64 } :: atom: 13 3I-HG12 G1 1.46 ambi=2 { CG1:27.2 } atom: 5 2S-HB3 B 3.8 ambi=2 { CB:64 } :: atom: 14 3I-HG13 G1 1.15 ambi=2 { CG1:27.2 } atom: 5 2S-HB3 B 3.8 ambi=2 { CB:64 } ::sumAvg: 4.66 atom: 15 3I-HG2 G2 0.9 ambi=1 { CG2:17.9 } atom: 4 2S-HB2 B 3.92 ambi=2 { CB:64 } :: atom: 15 3I-HG2 G2 0.9 ambi=1 { CG2:17.9 } atom: 5 2S-HB3 B 3.8 ambi=2 { CB:64 } ::sumAvg: 4.645 atom: 13 3I-HG12 G1 1.46 ambi=2 { CG1:27.2 } atom: 10 3I-H N 8.15 ambi=1 { N:121.7 } :: atom: 14 3I-HG13 G1 1.15 ambi=2 { CG1:27.2 } atom: 10 3I-H N 8.15 ambi=1 { N:121.7 } ::sumAvg: 2.32 atom: 12 3I-HB B 1.82 ambi=1 { CB:38.9 } atom: 10 3I-H N 8.15 ambi=1 { N:121.7 } ::sumAvg: 3.225 atom: 15 3I-HG2 G2 0.9 ambi=1 { CG2:17.9 } atom: 10 3I-H N 8.15 ambi=1 { N:121.7 } ::sumAvg: 3.355 atom: 16 3I-HD1 D1 0.81 ambi=1 { CD1:13.2 } atom: 10 3I-H N 8.15 ambi=1 { N:121.7 } ::sumAvg: 3.675 atom: 11 3I-HA A 4.24 ambi=1 { CA:61.3 } atom: 26 4S-QB B 3.76 ambi=2 { CB:64.2 } ::sumAvg: 4.285 atom: 26 4S-QB B 3.76 ambi=2 { CB:64.2 } atom: 11 3I-HA A 4.24 ambi=1 { CA:61.3 } ::sumAvg: 4.285 atom: 11 3I-HA A 4.24 ambi=1 { CA:61.3 } atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } ::sumAvg: 4.57 atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } atom: 11 3I-HA A 4.24 ambi=1 { CA:61.3 } ::sumAvg: 4.57 atom: 12 3I-HB B 1.82 ambi=1 { CB:38.9 } atom: 25 4S-HA A 4.53 ambi=1 { CA:58.6 } ::sumAvg: 4.895 atom: 25 4S-HA A 4.53 ambi=1 { CA:58.6 } atom: 12 3I-HB B 1.82 ambi=1 { CB:38.9 } ::sumAvg: 4.895 atom: 12 3I-HB B 1.82 ambi=1 { CB:38.9 } atom: 26 4S-QB B 3.76 ambi=2 { CB:64.2 } ::sumAvg: 4.79 atom: 26 4S-QB B 3.76 ambi=2 { CB:64.2 } atom: 12 3I-HB B 1.82 ambi=1 { CB:38.9 } ::sumAvg: 4.79 atom: 12 3I-HB B 1.82 ambi=1 { CB:38.9 } atom: 32 5T-H N 8.11 ambi=1 { N:114 } ::sumAvg: 4.32 atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } ::sumAvg: 4.41 atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } ::sumAvg: 4.68 atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } ::sumAvg: 4.68 atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 92 11Y-H N 8.11 ambi=1 { N:120 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 92 11Y-H N 8.11 ambi=1 { N:120 } ::sumAvg: 2.935 atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 93 11Y-HA A 3.74 ambi=1 { CA:63.3 } ::sumAvg: 4.26 atom: 93 11Y-HA A 3.74 ambi=1 { CA:63.3 } atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } ::sumAvg: 4.26 atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 119 13E-HB2 B 1.83 ambi=2 { CB:28.9 } :: atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 120 13E-HB3 B 2.39 ambi=2 { CB:28.9 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 119 13E-HB2 B 1.83 ambi=2 { CB:28.9 } ::sumAvg: 4.38 atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.195 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } :: atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } ::sumAvg: 4.195 atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } ::sumAvg: 3.605 atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } :: atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } ::sumAvg: 3.605 atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } ::sumAvg: 3.295 atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } :: atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } :: atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } :: atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } ::sumAvg: 3.295 atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } :: atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } ::sumAvg: 4.995 atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } :: atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } :: atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } :: atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } ::sumAvg: 4.995 atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 4.395 atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } :: atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } ::sumAvg: 4.395 atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } ::sumAvg: 3.73 atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } :: atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } ::sumAvg: 3.73 atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } ::sumAvg: 4.525 atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } :: atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } ::sumAvg: 3.185 atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } :: atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } :: atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } :: atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } ::sumAvg: 3.185 atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 351 33A-H N 8.37 ambi=1 { N:121.2 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 351 33A-H N 8.37 ambi=1 { N:121.2 } ::sumAvg: 3.015 atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } ::sumAvg: 2.175 atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } :: atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } ::sumAvg: 4.755 atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } :: atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } :: atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } :: atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } ::sumAvg: 4.755 atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } :: atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } ::sumAvg: 4.565 atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } :: atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } :: atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } ::sumAvg: 4.565 atom: 15 3I-HG2 G2 0.9 ambi=1 { CG2:17.9 } atom: 25 4S-HA A 4.53 ambi=1 { CA:58.6 } ::sumAvg: 4.49 atom: 15 3I-HG2 G2 0.9 ambi=1 { CG2:17.9 } atom: 26 4S-QB B 3.76 ambi=2 { CB:64.2 } ::sumAvg: 4.225 atom: 16 3I-HD1 D1 0.81 ambi=1 { CD1:13.2 } atom: 25 4S-HA A 4.53 ambi=1 { CA:58.6 } ::sumAvg: 4.625 atom: 25 4S-HA A 4.53 ambi=1 { CA:58.6 } atom: 16 3I-HD1 D1 0.81 ambi=1 { CD1:13.2 } ::sumAvg: 4.625 atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } atom: 24 4S-H N 8.58 ambi=1 { N:120.4 } ::sumAvg: 4.365 atom: 25 4S-HA A 4.53 ambi=1 { CA:58.6 } atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } ::sumAvg: 3.98 atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 25 4S-HA A 4.53 ambi=1 { CA:58.6 } ::sumAvg: 3.98 atom: 25 4S-HA A 4.53 ambi=1 { CA:58.6 } atom: 60 8E-HG2 G 2.06 ambi=2 { CG:37.5 } :: atom: 25 4S-HA A 4.53 ambi=1 { CA:58.6 } atom: 61 8E-HG3 G 2.18 ambi=2 { CG:37.5 } ::sumAvg: 4.465 atom: 60 8E-HG2 G 2.06 ambi=2 { CG:37.5 } atom: 25 4S-HA A 4.53 ambi=1 { CA:58.6 } :: atom: 61 8E-HG3 G 2.18 ambi=2 { CG:37.5 } atom: 25 4S-HA A 4.53 ambi=1 { CA:58.6 } ::sumAvg: 4.465 atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } atom: 26 4S-QB B 3.76 ambi=2 { CB:64.2 } ::sumAvg: 4.885 atom: 26 4S-QB B 3.76 ambi=2 { CB:64.2 } atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } ::sumAvg: 4.51 atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 26 4S-QB B 3.76 ambi=2 { CB:64.2 } ::sumAvg: 4.51 atom: 34 5T-HB B 4.37 ambi=1 { CB:71.8 } atom: 32 5T-H N 8.11 ambi=1 { N:114 } ::sumAvg: 3.35 atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 32 5T-H N 8.11 ambi=1 { N:114 } ::sumAvg: 3.255 atom: 60 8E-HG2 G 2.06 ambi=2 { CG:37.5 } atom: 32 5T-H N 8.11 ambi=1 { N:114 } :: atom: 61 8E-HG3 G 2.18 ambi=2 { CG:37.5 } atom: 32 5T-H N 8.11 ambi=1 { N:114 } ::sumAvg: 4.97 atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } ::sumAvg: 4.32 atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } ::sumAvg: 4.32 atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } atom: 43 6S-HB2 B 3.73 ambi=2 { CB:62.1 } :: atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } atom: 44 6S-HB3 B 3.71 ambi=2 { CB:62.1 } ::sumAvg: 4.755 atom: 43 6S-HB2 B 3.73 ambi=2 { CB:62.1 } atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } :: atom: 44 6S-HB3 B 3.71 ambi=2 { CB:62.1 } atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } ::sumAvg: 4.755 atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } ::sumAvg: 4.165 atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } atom: 56 8E-H N 7.51 ambi=1 { N:114.5 } ::sumAvg: 4.75 atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } ::sumAvg: 4.84 atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } ::sumAvg: 4.84 atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } atom: 70 9V-HG1 G1 0.89 ambi=2 { CG1:22.5 } :: atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } atom: 71 9V-HG2 G2 0.68 ambi=2 { CG2:20.7 } ::sumAvg: 4.705 atom: 70 9V-HG1 G1 0.89 ambi=2 { CG1:22.5 } atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } :: atom: 71 9V-HG2 G2 0.68 ambi=2 { CG2:20.7 } atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } ::sumAvg: 4.705 atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } :: atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } ::sumAvg: 3.99 atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } :: atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } ::sumAvg: 3.99 atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } atom: 1445 122L-HD1 D1 0.94 ambi=2 { CD1:25 } :: atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } atom: 1446 122L-HD2 D2 0.89 ambi=2 { CD2:24.4 } ::sumAvg: 3.76 atom: 1445 122L-HD1 D1 0.94 ambi=2 { CD1:25 } atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } :: atom: 1446 122L-HD2 D2 0.89 ambi=2 { CD2:24.4 } atom: 33 5T-HA A 4.53 ambi=1 { CA:61 } ::sumAvg: 3.76 atom: 34 5T-HB B 4.37 ambi=1 { CB:71.8 } atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } ::sumAvg: 4.97 atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } atom: 34 5T-HB B 4.37 ambi=1 { CB:71.8 } ::sumAvg: 4.97 atom: 34 5T-HB B 4.37 ambi=1 { CB:71.8 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } ::sumAvg: 3.55 atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } atom: 34 5T-HB B 4.37 ambi=1 { CB:71.8 } ::sumAvg: 3.55 atom: 34 5T-HB B 4.37 ambi=1 { CB:71.8 } atom: 56 8E-H N 7.51 ambi=1 { N:114.5 } ::sumAvg: 3.94 atom: 34 5T-HB B 4.37 ambi=1 { CB:71.8 } atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } ::sumAvg: 4.155 atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 34 5T-HB B 4.37 ambi=1 { CB:71.8 } ::sumAvg: 4.155 atom: 34 5T-HB B 4.37 ambi=1 { CB:71.8 } atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 4.2 atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } atom: 34 5T-HB B 4.37 ambi=1 { CB:71.8 } ::sumAvg: 4.2 atom: 1413 119V-HG1 G1 0.91 ambi=2 { CG1:21.2 } atom: 34 5T-HB B 4.37 ambi=1 { CB:71.8 } :: atom: 1414 119V-HG2 G2 0.98 ambi=2 { CG2:22.6 } atom: 34 5T-HB B 4.37 ambi=1 { CB:71.8 } ::sumAvg: 4.785 atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } ::sumAvg: 4.93 atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } ::sumAvg: 4.93 atom: 43 6S-HB2 B 3.73 ambi=2 { CB:62.1 } atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } :: atom: 44 6S-HB3 B 3.71 ambi=2 { CB:62.1 } atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } ::sumAvg: 4.915 atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } atom: 56 8E-H N 7.51 ambi=1 { N:114.5 } ::sumAvg: 3.405 atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } ::sumAvg: 3.975 atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } ::sumAvg: 3.975 atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } ::sumAvg: 4.1 atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } ::sumAvg: 4.1 atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 3.475 atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } ::sumAvg: 3.475 atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } ::sumAvg: 4.78 atom: 1411 119V-HA A 3.51 ambi=1 { CA:66.7 } atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } ::sumAvg: 3.8 atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } atom: 1442 122L-QB B 1.73 ambi=2 { CB:42.2 } ::sumAvg: 3.495 atom: 1442 122L-QB B 1.73 ambi=2 { CB:42.2 } atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } ::sumAvg: 3.495 atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } atom: 1444 122L-HG G 1.76 ambi=1 { CG:26.8 } ::sumAvg: 4.135 atom: 1444 122L-HG G 1.76 ambi=1 { CG:26.8 } atom: 35 5T-HG2 G2 1.23 ambi=1 { CG2:22.1 } ::sumAvg: 4.135 atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } atom: 41 6S-H N 8.78 ambi=1 { N:118.6 } ::sumAvg: 4.185 atom: 70 9V-HG1 G1 0.89 ambi=2 { CG1:22.5 } atom: 41 6S-H N 8.78 ambi=1 { N:118.6 } :: atom: 71 9V-HG2 G2 0.68 ambi=2 { CG2:20.7 } atom: 41 6S-H N 8.78 ambi=1 { N:118.6 } ::sumAvg: 4.39 atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } atom: 41 6S-H N 8.78 ambi=1 { N:118.6 } :: atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } atom: 41 6S-H N 8.78 ambi=1 { N:118.6 } ::sumAvg: 3.125 atom: 1445 122L-HD1 D1 0.94 ambi=2 { CD1:25 } atom: 41 6S-H N 8.78 ambi=1 { N:118.6 } :: atom: 1446 122L-HD2 D2 0.89 ambi=2 { CD2:24.4 } atom: 41 6S-H N 8.78 ambi=1 { N:118.6 } ::sumAvg: 4.395 atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } ::sumAvg: 3.465 atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } ::sumAvg: 4.975 atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } ::sumAvg: 4.975 atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } atom: 56 8E-H N 7.51 ambi=1 { N:114.5 } ::sumAvg: 4.29 atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } ::sumAvg: 3.33 atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } atom: 78 10Y-H N 8.18 ambi=1 { N:117.8 } ::sumAvg: 4.03 atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 3.69 atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } ::sumAvg: 4.45 atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } :: atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } ::sumAvg: 4.695 atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } :: atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } atom: 42 6S-HA A 3.96 ambi=1 { CA:61 } ::sumAvg: 4.695 atom: 43 6S-HB2 B 3.73 ambi=2 { CB:62.1 } atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } :: atom: 44 6S-HB3 B 3.71 ambi=2 { CB:62.1 } atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } ::sumAvg: 4.495 atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } atom: 43 6S-HB2 B 3.73 ambi=2 { CB:62.1 } :: atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } atom: 44 6S-HB3 B 3.71 ambi=2 { CB:62.1 } ::sumAvg: 4.495 atom: 43 6S-HB2 B 3.73 ambi=2 { CB:62.1 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } :: atom: 44 6S-HB3 B 3.71 ambi=2 { CB:62.1 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } ::sumAvg: 4.595 atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } atom: 43 6S-HB2 B 3.73 ambi=2 { CB:62.1 } :: atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } atom: 44 6S-HB3 B 3.71 ambi=2 { CB:62.1 } ::sumAvg: 4.595 atom: 69 9V-HB B 1.85 ambi=1 { CB:31.4 } atom: 43 6S-HB2 B 3.73 ambi=2 { CB:62.1 } :: atom: 69 9V-HB B 1.85 ambi=1 { CB:31.4 } atom: 44 6S-HB3 B 3.71 ambi=2 { CB:62.1 } ::sumAvg: 4.385 atom: 43 6S-HB2 B 3.73 ambi=2 { CB:62.1 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } :: atom: 44 6S-HB3 B 3.71 ambi=2 { CB:62.1 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 3.405 atom: 43 6S-HB2 B 3.73 ambi=2 { CB:62.1 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } :: atom: 44 6S-HB3 B 3.71 ambi=2 { CB:62.1 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } ::sumAvg: 3.99 atom: 43 6S-HB2 B 3.73 ambi=2 { CB:62.1 } atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } :: atom: 43 6S-HB2 B 3.73 ambi=2 { CB:62.1 } atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } :: atom: 44 6S-HB3 B 3.71 ambi=2 { CB:62.1 } atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } :: atom: 44 6S-HB3 B 3.71 ambi=2 { CB:62.1 } atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } ::sumAvg: 3.75 atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } atom: 43 6S-HB2 B 3.73 ambi=2 { CB:62.1 } :: atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } atom: 43 6S-HB2 B 3.73 ambi=2 { CB:62.1 } :: atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } atom: 44 6S-HB3 B 3.71 ambi=2 { CB:62.1 } :: atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } atom: 44 6S-HB3 B 3.71 ambi=2 { CB:62.1 } ::sumAvg: 3.75 atom: 43 6S-HB2 B 3.73 ambi=2 { CB:62.1 } atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } :: atom: 43 6S-HB2 B 3.73 ambi=2 { CB:62.1 } atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } :: atom: 44 6S-HB3 B 3.71 ambi=2 { CB:62.1 } atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } :: atom: 44 6S-HB3 B 3.71 ambi=2 { CB:62.1 } atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } ::sumAvg: 2.975 atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } atom: 43 6S-HB2 B 3.73 ambi=2 { CB:62.1 } :: atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } atom: 43 6S-HB2 B 3.73 ambi=2 { CB:62.1 } :: atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } atom: 44 6S-HB3 B 3.71 ambi=2 { CB:62.1 } :: atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } atom: 44 6S-HB3 B 3.71 ambi=2 { CB:62.1 } ::sumAvg: 2.975 atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } ::sumAvg: 4.47 atom: 70 9V-HG1 G1 0.89 ambi=2 { CG1:22.5 } atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } :: atom: 71 9V-HG2 G2 0.68 ambi=2 { CG2:20.7 } atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } ::sumAvg: 4.82 atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } :: atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } ::sumAvg: 3.66 atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } :: atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } ::sumAvg: 4.06 atom: 1367 115V-HG1 G1 0.92 ambi=2 { CG1:23.4 } atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } :: atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } ::sumAvg: 4.665 atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } atom: 49 7A-H N 7.95 ambi=1 { N:121.5 } ::sumAvg: 4.66 atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } atom: 56 8E-H N 7.51 ambi=1 { N:114.5 } ::sumAvg: 3.555 atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } ::sumAvg: 4.335 atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } atom: 78 10Y-H N 8.18 ambi=1 { N:117.8 } ::sumAvg: 3.89 atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } atom: 92 11Y-H N 8.11 ambi=1 { N:120 } ::sumAvg: 4.41 atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } :: atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } ::sumAvg: 3.79 atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } :: atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } ::sumAvg: 3.79 atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } ::sumAvg: 4.42 atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 4.29 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } ::sumAvg: 4.29 atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } :: atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } ::sumAvg: 4.84 atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } atom: 1367 115V-HG1 G1 0.92 ambi=2 { CG1:23.4 } :: atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } ::sumAvg: 3.51 atom: 1367 115V-HG1 G1 0.92 ambi=2 { CG1:23.4 } atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } :: atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } atom: 50 7A-HA A 4.15 ambi=1 { CA:56 } ::sumAvg: 3.51 atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } :: atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } ::sumAvg: 4.77 atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } ::sumAvg: 4.77 atom: 57 8E-HA A 3.92 ambi=1 { CA:59.1 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } ::sumAvg: 3.865 atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } ::sumAvg: 4.025 atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } ::sumAvg: 4.41 atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } atom: 78 10Y-H N 8.18 ambi=1 { N:117.8 } ::sumAvg: 4.9 atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 4.775 atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } :: atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } ::sumAvg: 4.64 atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } atom: 92 11Y-H N 8.11 ambi=1 { N:120 } ::sumAvg: 4.93 atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } ::sumAvg: 4.585 atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } ::sumAvg: 4.585 atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } atom: 376 36E-H N 8.37 ambi=1 { N:115.9 } ::sumAvg: 4.57 atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } ::sumAvg: 4.82 atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } ::sumAvg: 4.82 atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } :: atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } ::sumAvg: 2.975 atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } :: atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } ::sumAvg: 3.81 atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } :: atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } ::sumAvg: 3.81 atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } atom: 427 40L-HB2 B 1.87 ambi=2 { CB:42.2 } ::sumAvg: 4.76 atom: 427 40L-HB2 B 1.87 ambi=2 { CB:42.2 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } ::sumAvg: 4.76 atom: 1366 115V-HB B 2.04 ambi=1 { CB:31.5 } atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } ::sumAvg: 4.4 atom: 51 7A-HB B 1.41 ambi=1 { CB:18.6 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } ::sumAvg: 4.975 atom: 69 9V-HB B 1.85 ambi=1 { CB:31.4 } atom: 56 8E-H N 7.51 ambi=1 { N:114.5 } ::sumAvg: 4.63 atom: 70 9V-HG1 G1 0.89 ambi=2 { CG1:22.5 } atom: 56 8E-H N 7.51 ambi=1 { N:114.5 } :: atom: 71 9V-HG2 G2 0.68 ambi=2 { CG2:20.7 } atom: 56 8E-H N 7.51 ambi=1 { N:114.5 } ::sumAvg: 4.03 atom: 1367 115V-HG1 G1 0.92 ambi=2 { CG1:23.4 } atom: 56 8E-H N 7.51 ambi=1 { N:114.5 } :: atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } atom: 56 8E-H N 7.51 ambi=1 { N:114.5 } ::sumAvg: 3.425 atom: 57 8E-HA A 3.92 ambi=1 { CA:59.1 } atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } ::sumAvg: 3.49 atom: 57 8E-HA A 3.92 ambi=1 { CA:59.1 } atom: 78 10Y-H N 8.18 ambi=1 { N:117.8 } ::sumAvg: 4.535 atom: 57 8E-HA A 3.92 ambi=1 { CA:59.1 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } ::sumAvg: 3.91 atom: 57 8E-HA A 3.92 ambi=1 { CA:59.1 } atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } ::sumAvg: 4.515 atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } atom: 57 8E-HA A 3.92 ambi=1 { CA:59.1 } ::sumAvg: 4.515 atom: 57 8E-HA A 3.92 ambi=1 { CA:59.1 } atom: 1413 119V-HG1 G1 0.91 ambi=2 { CG1:21.2 } :: atom: 57 8E-HA A 3.92 ambi=1 { CA:59.1 } atom: 1414 119V-HG2 G2 0.98 ambi=2 { CG2:22.6 } ::sumAvg: 4.895 atom: 1413 119V-HG1 G1 0.91 ambi=2 { CG1:21.2 } atom: 57 8E-HA A 3.92 ambi=1 { CA:59.1 } :: atom: 1414 119V-HG2 G2 0.98 ambi=2 { CG2:22.6 } atom: 57 8E-HA A 3.92 ambi=1 { CA:59.1 } ::sumAvg: 4.895 atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 68 9V-HA A 3.58 ambi=1 { CA:66.6 } ::sumAvg: 4.14 atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 70 9V-HG1 G1 0.89 ambi=2 { CG1:22.5 } :: atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 71 9V-HG2 G2 0.68 ambi=2 { CG2:20.7 } ::sumAvg: 3.785 atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } :: atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } ::sumAvg: 4.14 atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } :: atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } ::sumAvg: 4.14 atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 92 11Y-H N 8.11 ambi=1 { N:120 } ::sumAvg: 4.85 atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } ::sumAvg: 4.725 atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 106 12E-H N 8.31 ambi=1 { N:117.6 } ::sumAvg: 4.82 atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 1367 115V-HG1 G1 0.92 ambi=2 { CG1:23.4 } :: atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } ::sumAvg: 3.24 atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 1413 119V-HG1 G1 0.91 ambi=2 { CG1:21.2 } :: atom: 58 8E-QB B 2.16 ambi=2 { CB:30.7 } atom: 1414 119V-HG2 G2 0.98 ambi=2 { CG2:22.6 } ::sumAvg: 3.905 atom: 60 8E-HG2 G 2.06 ambi=2 { CG:37.5 } atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } :: atom: 61 8E-HG3 G 2.18 ambi=2 { CG:37.5 } atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } ::sumAvg: 3.7 atom: 60 8E-HG2 G 2.06 ambi=2 { CG:37.5 } atom: 68 9V-HA A 3.58 ambi=1 { CA:66.6 } :: atom: 61 8E-HG3 G 2.18 ambi=2 { CG:37.5 } atom: 68 9V-HA A 3.58 ambi=1 { CA:66.6 } ::sumAvg: 4.995 atom: 60 8E-HG2 G 2.06 ambi=2 { CG:37.5 } atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } :: atom: 60 8E-HG2 G 2.06 ambi=2 { CG:37.5 } atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } :: atom: 61 8E-HG3 G 2.18 ambi=2 { CG:37.5 } atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } :: atom: 61 8E-HG3 G 2.18 ambi=2 { CG:37.5 } atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } ::sumAvg: 4.19 atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } atom: 60 8E-HG2 G 2.06 ambi=2 { CG:37.5 } :: atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } atom: 60 8E-HG2 G 2.06 ambi=2 { CG:37.5 } :: atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } atom: 61 8E-HG3 G 2.18 ambi=2 { CG:37.5 } :: atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } atom: 61 8E-HG3 G 2.18 ambi=2 { CG:37.5 } ::sumAvg: 4.19 atom: 60 8E-HG2 G 2.06 ambi=2 { CG:37.5 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } :: atom: 61 8E-HG3 G 2.18 ambi=2 { CG:37.5 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } ::sumAvg: 4.505 atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 67 9V-H N 7.83 ambi=1 { N:121.6 } ::sumAvg: 4.77 atom: 68 9V-HA A 3.58 ambi=1 { CA:66.6 } atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } ::sumAvg: 4.71 atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 68 9V-HA A 3.58 ambi=1 { CA:66.6 } ::sumAvg: 4.71 atom: 68 9V-HA A 3.58 ambi=1 { CA:66.6 } atom: 92 11Y-H N 8.11 ambi=1 { N:120 } ::sumAvg: 4.32 atom: 110 12E-QG G 2.61 ambi=2 { CG:34.4 } atom: 68 9V-HA A 3.58 ambi=1 { CA:66.6 } ::sumAvg: 4.615 atom: 121 13E-HG2 G 2.26 ambi=2 { CG:34.9 } atom: 68 9V-HA A 3.58 ambi=1 { CA:66.6 } :: atom: 122 13E-HG3 G 2.71 ambi=2 { CG:34.9 } atom: 68 9V-HA A 3.58 ambi=1 { CA:66.6 } ::sumAvg: 4.25 atom: 69 9V-HB B 1.85 ambi=1 { CB:31.4 } atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } :: atom: 69 9V-HB B 1.85 ambi=1 { CB:31.4 } atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } ::sumAvg: 4.595 atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 69 9V-HB B 1.85 ambi=1 { CB:31.4 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 69 9V-HB B 1.85 ambi=1 { CB:31.4 } ::sumAvg: 4.595 atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 69 9V-HB B 1.85 ambi=1 { CB:31.4 } ::sumAvg: 4.435 atom: 69 9V-HB B 1.85 ambi=1 { CB:31.4 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 3.815 atom: 69 9V-HB B 1.85 ambi=1 { CB:31.4 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } ::sumAvg: 4.855 atom: 69 9V-HB B 1.85 ambi=1 { CB:31.4 } atom: 92 11Y-H N 8.11 ambi=1 { N:120 } ::sumAvg: 4.85 atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 70 9V-HG1 G1 0.89 ambi=2 { CG1:22.5 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 70 9V-HG1 G1 0.89 ambi=2 { CG1:22.5 } :: atom: 80 10Y-HB2 B 3.44 ambi=2 { CB:36.9 } atom: 71 9V-HG2 G2 0.68 ambi=2 { CG2:20.7 } :: atom: 81 10Y-HB3 B 2.73 ambi=2 { CB:36.9 } atom: 71 9V-HG2 G2 0.68 ambi=2 { CG2:20.7 } ::sumAvg: 4.645 atom: 70 9V-HG1 G1 0.89 ambi=2 { CG1:22.5 } atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } :: atom: 71 9V-HG2 G2 0.68 ambi=2 { CG2:20.7 } atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } ::sumAvg: 3.165 atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 70 9V-HG1 G1 0.89 ambi=2 { CG1:22.5 } :: atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 71 9V-HG2 G2 0.68 ambi=2 { CG2:20.7 } ::sumAvg: 3.165 atom: 108 12E-HB2 B 2.24 ambi=2 { CB:28 } atom: 70 9V-HG1 G1 0.89 ambi=2 { CG1:22.5 } :: atom: 109 12E-HB3 B 2.17 ambi=2 { CB:28 } atom: 70 9V-HG1 G1 0.89 ambi=2 { CG1:22.5 } :: atom: 108 12E-HB2 B 2.24 ambi=2 { CB:28 } atom: 71 9V-HG2 G2 0.68 ambi=2 { CG2:20.7 } :: atom: 109 12E-HB3 B 2.17 ambi=2 { CB:28 } atom: 71 9V-HG2 G2 0.68 ambi=2 { CG2:20.7 } ::sumAvg: 4.205 atom: 70 9V-HG1 G1 0.89 ambi=2 { CG1:22.5 } atom: 106 12E-H N 8.31 ambi=1 { N:117.6 } :: atom: 71 9V-HG2 G2 0.68 ambi=2 { CG2:20.7 } atom: 106 12E-H N 8.31 ambi=1 { N:117.6 } ::sumAvg: 4.925 atom: 352 33A-HA A 4.17 ambi=1 { CA:56 } atom: 78 10Y-H N 8.18 ambi=1 { N:117.8 } ::sumAvg: 4.27 atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } atom: 78 10Y-H N 8.18 ambi=1 { N:117.8 } ::sumAvg: 3.665 atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } ::sumAvg: 4.395 atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 92 11Y-H N 8.11 ambi=1 { N:120 } ::sumAvg: 3.495 atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 93 11Y-HA A 3.74 ambi=1 { CA:63.3 } ::sumAvg: 4.765 atom: 93 11Y-HA A 3.74 ambi=1 { CA:63.3 } atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } ::sumAvg: 4.765 atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 106 12E-H N 8.31 ambi=1 { N:117.6 } ::sumAvg: 4.415 atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 117 13E-H N 8.27 ambi=1 { N:119.8 } ::sumAvg: 3.255 atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 119 13E-HB2 B 1.83 ambi=2 { CB:28.9 } :: atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 120 13E-HB3 B 2.39 ambi=2 { CB:28.9 } ::sumAvg: 2.435 atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 121 13E-HG2 G 2.26 ambi=2 { CG:34.9 } :: atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 122 13E-HG3 G 2.71 ambi=2 { CG:34.9 } ::sumAvg: 3.6 atom: 121 13E-HG2 G 2.26 ambi=2 { CG:34.9 } atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } :: atom: 122 13E-HG3 G 2.71 ambi=2 { CG:34.9 } atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } ::sumAvg: 3.6 atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.59 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } ::sumAvg: 4.59 atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } ::sumAvg: 4.885 atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } ::sumAvg: 4.885 atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } ::sumAvg: 3.605 atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } :: atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } ::sumAvg: 3.605 atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } :: atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } ::sumAvg: 4.53 atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 4.17 atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } ::sumAvg: 4.17 atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } ::sumAvg: 4.165 atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } atom: 79 10Y-HA A 4.48 ambi=1 { CA:60.1 } ::sumAvg: 4.165 atom: 119 13E-HB2 B 1.83 ambi=2 { CB:28.9 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } :: atom: 120 13E-HB3 B 2.39 ambi=2 { CB:28.9 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 3.815 atom: 121 13E-HG2 G 2.26 ambi=2 { CG:34.9 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } :: atom: 122 13E-HG3 G 2.71 ambi=2 { CG:34.9 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 4.795 atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 3.23 atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } :: atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 3.415 atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } :: atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 3.7 atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 2.91 atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 4.13 atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } :: atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 3.27 atom: 338 32K-HG2 G 1.3 ambi=2 { CG:25 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } :: atom: 339 32K-HG3 G 1.2 ambi=2 { CG:25 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 4.635 atom: 340 32K-HD2 D 1.26 ambi=2 { CD:28.4 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } :: atom: 341 32K-HD3 D 1.4 ambi=2 { CD:28.4 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 4.48 atom: 342 32K-QE E 2.76 ambi=2 { CE:41.9 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 4.89 atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 3.79 atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } :: atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 4.21 atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } :: atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } atom: 82 10Y-QD D 6.97 ambi=3 { CD1:131.8 } ::sumAvg: 3.13 atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } ::sumAvg: 4.63 atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } ::sumAvg: 3.84 atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } ::sumAvg: 4.235 atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } :: atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } ::sumAvg: 3.81 atom: 338 32K-HG2 G 1.3 ambi=2 { CG:25 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } :: atom: 339 32K-HG3 G 1.2 ambi=2 { CG:25 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } ::sumAvg: 4.205 atom: 340 32K-HD2 D 1.26 ambi=2 { CD:28.4 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } :: atom: 341 32K-HD3 D 1.4 ambi=2 { CD:28.4 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } ::sumAvg: 4.08 atom: 342 32K-QE E 2.76 ambi=2 { CE:41.9 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } ::sumAvg: 3.905 atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } :: atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } ::sumAvg: 4.72 atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } :: atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } atom: 84 10Y-QE E 6.79 ambi=3 { CE1:117.5 } ::sumAvg: 3.39 atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } atom: 108 12E-HB2 B 2.24 ambi=2 { CB:28 } :: atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } atom: 109 12E-HB3 B 2.17 ambi=2 { CB:28 } :: atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } atom: 108 12E-HB2 B 2.24 ambi=2 { CB:28 } :: atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } atom: 109 12E-HB3 B 2.17 ambi=2 { CB:28 } ::sumAvg: 4.4 atom: 108 12E-HB2 B 2.24 ambi=2 { CB:28 } atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } :: atom: 109 12E-HB3 B 2.17 ambi=2 { CB:28 } atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } :: atom: 108 12E-HB2 B 2.24 ambi=2 { CB:28 } atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } :: atom: 109 12E-HB3 B 2.17 ambi=2 { CB:28 } atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } ::sumAvg: 4.4 atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } atom: 106 12E-H N 8.31 ambi=1 { N:117.6 } :: atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } atom: 106 12E-H N 8.31 ambi=1 { N:117.6 } ::sumAvg: 2.485 atom: 107 12E-HA A 3.97 ambi=1 { CA:59 } atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } :: atom: 107 12E-HA A 3.97 ambi=1 { CA:59 } atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } ::sumAvg: 4.335 atom: 110 12E-QG G 2.61 ambi=2 { CG:34.4 } atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } :: atom: 110 12E-QG G 2.61 ambi=2 { CG:34.4 } atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } ::sumAvg: 4.55 atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } atom: 117 13E-H N 8.27 ambi=1 { N:119.8 } :: atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } atom: 117 13E-H N 8.27 ambi=1 { N:119.8 } ::sumAvg: 4.955 atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } :: atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.59 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } :: atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } ::sumAvg: 4.59 atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } :: atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } ::sumAvg: 4.955 atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } atom: 1311 111V-HG1 G1 0.93 ambi=2 { CG1:23 } :: atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } atom: 1312 111V-HG2 G2 1.37 ambi=2 { CG2:22.5 } :: atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } atom: 1311 111V-HG1 G1 0.93 ambi=2 { CG1:23 } :: atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } atom: 1312 111V-HG2 G2 1.37 ambi=2 { CG2:22.5 } ::sumAvg: 3.545 atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } atom: 1366 115V-HB B 2.04 ambi=1 { CB:31.5 } :: atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } atom: 1366 115V-HB B 2.04 ambi=1 { CB:31.5 } ::sumAvg: 4.74 atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } atom: 1367 115V-HG1 G1 0.92 ambi=2 { CG1:23.4 } :: atom: 94 11Y-HB2 B 3.05 ambi=2 { CB:38.9 } atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } :: atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } atom: 1367 115V-HG1 G1 0.92 ambi=2 { CG1:23.4 } :: atom: 95 11Y-HB3 B 3.31 ambi=2 { CB:38.9 } atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } ::sumAvg: 2.6 atom: 108 12E-HB2 B 2.24 ambi=2 { CB:28 } atom: 92 11Y-H N 8.11 ambi=1 { N:120 } :: atom: 109 12E-HB3 B 2.17 ambi=2 { CB:28 } atom: 92 11Y-H N 8.11 ambi=1 { N:120 } ::sumAvg: 4.75 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 92 11Y-H N 8.11 ambi=1 { N:120 } ::sumAvg: 4.61 atom: 352 33A-HA A 4.17 ambi=1 { CA:56 } atom: 92 11Y-H N 8.11 ambi=1 { N:120 } ::sumAvg: 4.56 atom: 1367 115V-HG1 G1 0.92 ambi=2 { CG1:23.4 } atom: 92 11Y-H N 8.11 ambi=1 { N:120 } :: atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } atom: 92 11Y-H N 8.11 ambi=1 { N:120 } ::sumAvg: 4.25 atom: 93 11Y-HA A 3.74 ambi=1 { CA:63.3 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } ::sumAvg: 4.625 atom: 93 11Y-HA A 3.74 ambi=1 { CA:63.3 } atom: 106 12E-H N 8.31 ambi=1 { N:117.6 } ::sumAvg: 3.54 atom: 93 11Y-HA A 3.74 ambi=1 { CA:63.3 } atom: 117 13E-H N 8.27 ambi=1 { N:119.8 } ::sumAvg: 4.475 atom: 93 11Y-HA A 3.74 ambi=1 { CA:63.3 } atom: 135 15E-H N 7.94 ambi=1 { N:116.7 } ::sumAvg: 4.28 atom: 93 11Y-HA A 3.74 ambi=1 { CA:63.3 } atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 93 11Y-HA A 3.74 ambi=1 { CA:63.3 } atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } ::sumAvg: 4.685 atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 93 11Y-HA A 3.74 ambi=1 { CA:63.3 } :: atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } atom: 93 11Y-HA A 3.74 ambi=1 { CA:63.3 } ::sumAvg: 4.685 atom: 93 11Y-HA A 3.74 ambi=1 { CA:63.3 } atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } ::sumAvg: 3.63 atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } atom: 93 11Y-HA A 3.74 ambi=1 { CA:63.3 } ::sumAvg: 3.63 atom: 93 11Y-HA A 3.74 ambi=1 { CA:63.3 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 4.175 atom: 107 12E-HA A 3.97 ambi=1 { CA:59 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } ::sumAvg: 4.715 atom: 110 12E-QG G 2.61 ambi=2 { CG:34.4 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } ::sumAvg: 4.945 atom: 137 15E-HB2 B 2.32 ambi=2 { CB:30.2 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } :: atom: 138 15E-HB3 B 1.99 ambi=2 { CB:30.2 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } ::sumAvg: 4.94 atom: 139 15E-HG2 G 2.25 ambi=2 { CG:38 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } :: atom: 140 15E-HG3 G 1.93 ambi=2 { CG:38 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } ::sumAvg: 4.415 atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } ::sumAvg: 3.755 atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } :: atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } ::sumAvg: 3.53 atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } ::sumAvg: 3.485 atom: 1278 108K-HD2 D 1.84 ambi=2 { CD:28.8 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } :: atom: 1279 108K-HD3 D 1.28 ambi=2 { CD:28.8 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } ::sumAvg: 3.845 atom: 1280 108K-QE E 2.93 ambi=2 { CE:41.8 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } ::sumAvg: 4.785 atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } ::sumAvg: 4.025 atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } ::sumAvg: 4.23 atom: 1320 112R-HA A 3.15 ambi=1 { CA:60.2 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } ::sumAvg: 3.755 atom: 1321 112R-HB2 B 2.03 ambi=2 { CB:29.1 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } :: atom: 1322 112R-HB3 B 2.16 ambi=2 { CB:29.1 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } ::sumAvg: 2.625 atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } :: atom: 1324 112R-HG3 G 1.03 ambi=2 { CG:26.8 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } ::sumAvg: 3.605 atom: 1325 112R-HD2 D 3.02 ambi=2 { CD:42.6 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } :: atom: 1326 112R-HD3 D 3.21 ambi=2 { CD:42.6 } atom: 98 11Y-QE E 6.79 ambi=3 { CE1:117.9 } ::sumAvg: 4.07 atom: 108 12E-HB2 B 2.24 ambi=2 { CB:28 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } :: atom: 109 12E-HB3 B 2.17 ambi=2 { CB:28 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } ::sumAvg: 4.485 atom: 107 12E-HA A 3.97 ambi=1 { CA:59 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } ::sumAvg: 3.515 atom: 110 12E-QG G 2.61 ambi=2 { CG:34.4 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } ::sumAvg: 3.82 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } ::sumAvg: 3.89 atom: 137 15E-HB2 B 2.32 ambi=2 { CB:30.2 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } :: atom: 138 15E-HB3 B 1.99 ambi=2 { CB:30.2 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } ::sumAvg: 4.885 atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } ::sumAvg: 4.325 atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } ::sumAvg: 3.76 atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } ::sumAvg: 4.58 atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } :: atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } ::sumAvg: 4.79 atom: 1320 112R-HA A 3.15 ambi=1 { CA:60.2 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } ::sumAvg: 3.86 atom: 1321 112R-HB2 B 2.03 ambi=2 { CB:29.1 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } :: atom: 1322 112R-HB3 B 2.16 ambi=2 { CB:29.1 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } ::sumAvg: 4.075 atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } :: atom: 1324 112R-HG3 G 1.03 ambi=2 { CG:26.8 } atom: 96 11Y-QD D 7.07 ambi=3 { CD1:132 } ::sumAvg: 4.67 atom: 108 12E-HB2 B 2.24 ambi=2 { CB:28 } atom: 118 13E-HA A 3.82 ambi=1 { CA:58.7 } :: atom: 109 12E-HB3 B 2.17 ambi=2 { CB:28 } atom: 118 13E-HA A 3.82 ambi=1 { CA:58.7 } ::sumAvg: 4.315 atom: 108 12E-HB2 B 2.24 ambi=2 { CB:28 } atom: 119 13E-HB2 B 1.83 ambi=2 { CB:28.9 } ::sumAvg: 4.795 atom: 108 12E-HB2 B 2.24 ambi=2 { CB:28 } atom: 122 13E-HG3 G 2.71 ambi=2 { CG:34.9 } :: atom: 109 12E-HB3 B 2.17 ambi=2 { CB:28 } atom: 122 13E-HG3 G 2.71 ambi=2 { CG:34.9 } ::sumAvg: 3.53 atom: 108 12E-HB2 B 2.24 ambi=2 { CB:28 } atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } :: atom: 109 12E-HB3 B 2.17 ambi=2 { CB:28 } atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } ::sumAvg: 4.92 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 106 12E-H N 8.31 ambi=1 { N:117.6 } ::sumAvg: 4.675 atom: 107 12E-HA A 3.97 ambi=1 { CA:59 } atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } ::sumAvg: 4.27 atom: 107 12E-HA A 3.97 ambi=1 { CA:59 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.67 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 107 12E-HA A 3.97 ambi=1 { CA:59 } ::sumAvg: 4.67 atom: 107 12E-HA A 3.97 ambi=1 { CA:59 } atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } ::sumAvg: 4.39 atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } atom: 185 19S-H N 8.18 ambi=1 { N:115.9 } :: atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } atom: 185 19S-H N 8.18 ambi=1 { N:115.9 } ::sumAvg: 4.645 atom: 186 19S-HA A 4.21 ambi=1 { CA:61.3 } atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } ::sumAvg: 4.04 atom: 110 12E-QG G 2.61 ambi=2 { CG:34.4 } atom: 118 13E-HA A 3.82 ambi=1 { CA:58.7 } ::sumAvg: 4.715 atom: 118 13E-HA A 3.82 ambi=1 { CA:58.7 } atom: 110 12E-QG G 2.61 ambi=2 { CG:34.4 } ::sumAvg: 4.715 atom: 110 12E-QG G 2.61 ambi=2 { CG:34.4 } atom: 138 15E-HB3 B 1.99 ambi=2 { CB:30.2 } ::sumAvg: 4.005 atom: 138 15E-HB3 B 1.99 ambi=2 { CB:30.2 } atom: 110 12E-QG G 2.61 ambi=2 { CG:34.4 } ::sumAvg: 4.005 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 117 13E-H N 8.27 ambi=1 { N:119.8 } ::sumAvg: 4.275 atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 117 13E-H N 8.27 ambi=1 { N:119.8 } :: atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } atom: 117 13E-H N 8.27 ambi=1 { N:119.8 } ::sumAvg: 4.735 atom: 118 13E-HA A 3.82 ambi=1 { CA:58.7 } atom: 135 15E-H N 7.94 ambi=1 { N:116.7 } ::sumAvg: 4.315 atom: 118 13E-HA A 3.82 ambi=1 { CA:58.7 } atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } ::sumAvg: 3.18 atom: 148 16E-HB2 B 1.99 ambi=2 { CB:28.1 } atom: 118 13E-HA A 3.82 ambi=1 { CA:58.7 } :: atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } atom: 118 13E-HA A 3.82 ambi=1 { CA:58.7 } ::sumAvg: 2.69 atom: 150 16E-HG2 G 2.34 ambi=2 { CG:34.6 } atom: 118 13E-HA A 3.82 ambi=1 { CA:58.7 } :: atom: 151 16E-HG3 G 2.15 ambi=2 { CG:34.6 } atom: 118 13E-HA A 3.82 ambi=1 { CA:58.7 } ::sumAvg: 3.875 atom: 118 13E-HA A 3.82 ambi=1 { CA:58.7 } atom: 157 17F-H N 8.03 ambi=1 { N:119.5 } ::sumAvg: 4.445 atom: 118 13E-HA A 3.82 ambi=1 { CA:58.7 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 4.645 atom: 118 13E-HA A 3.82 ambi=1 { CA:58.7 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } ::sumAvg: 4.875 atom: 119 13E-HB2 B 1.83 ambi=2 { CB:28.9 } atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } :: atom: 120 13E-HB3 B 2.39 ambi=2 { CB:28.9 } atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } ::sumAvg: 2.775 atom: 119 13E-HB2 B 1.83 ambi=2 { CB:28.9 } atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } :: atom: 120 13E-HB3 B 2.39 ambi=2 { CB:28.9 } atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } ::sumAvg: 4.33 atom: 119 13E-HB2 B 1.83 ambi=2 { CB:28.9 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } :: atom: 120 13E-HB3 B 2.39 ambi=2 { CB:28.9 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.2 atom: 148 16E-HB2 B 1.99 ambi=2 { CB:28.1 } atom: 120 13E-HB3 B 2.39 ambi=2 { CB:28.9 } :: atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } atom: 120 13E-HB3 B 2.39 ambi=2 { CB:28.9 } ::sumAvg: 4.105 atom: 119 13E-HB2 B 1.83 ambi=2 { CB:28.9 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } :: atom: 120 13E-HB3 B 2.39 ambi=2 { CB:28.9 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 3.775 atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } atom: 120 13E-HB3 B 2.39 ambi=2 { CB:28.9 } ::sumAvg: 3.355 atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } atom: 119 13E-HB2 B 1.83 ambi=2 { CB:28.9 } :: atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } atom: 120 13E-HB3 B 2.39 ambi=2 { CB:28.9 } :: atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } atom: 120 13E-HB3 B 2.39 ambi=2 { CB:28.9 } ::sumAvg: 3.295 atom: 120 13E-HB3 B 2.39 ambi=2 { CB:28.9 } atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 3.135 atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 120 13E-HB3 B 2.39 ambi=2 { CB:28.9 } ::sumAvg: 3.135 atom: 119 13E-HB2 B 1.83 ambi=2 { CB:28.9 } atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } :: atom: 120 13E-HB3 B 2.39 ambi=2 { CB:28.9 } atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 2.875 atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } atom: 119 13E-HB2 B 1.83 ambi=2 { CB:28.9 } :: atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } atom: 120 13E-HB3 B 2.39 ambi=2 { CB:28.9 } ::sumAvg: 2.875 atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } atom: 121 13E-HG2 G 2.26 ambi=2 { CG:34.9 } :: atom: 148 16E-HB2 B 1.99 ambi=2 { CB:28.1 } atom: 122 13E-HG3 G 2.71 ambi=2 { CG:34.9 } :: atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } atom: 122 13E-HG3 G 2.71 ambi=2 { CG:34.9 } ::sumAvg: 4.785 atom: 121 13E-HG2 G 2.26 ambi=2 { CG:34.9 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } :: atom: 122 13E-HG3 G 2.71 ambi=2 { CG:34.9 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } ::sumAvg: 4.95 atom: 121 13E-HG2 G 2.26 ambi=2 { CG:34.9 } atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } :: atom: 122 13E-HG3 G 2.71 ambi=2 { CG:34.9 } atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 4.81 atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 121 13E-HG2 G 2.26 ambi=2 { CG:34.9 } :: atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 122 13E-HG3 G 2.71 ambi=2 { CG:34.9 } ::sumAvg: 4.81 atom: 137 15E-HB2 B 2.32 ambi=2 { CB:30.2 } atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } :: atom: 138 15E-HB3 B 1.99 ambi=2 { CB:30.2 } atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } ::sumAvg: 4.74 atom: 148 16E-HB2 B 1.99 ambi=2 { CB:28.1 } atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } :: atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } ::sumAvg: 4.97 atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } :: atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } ::sumAvg: 4.645 atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 128 14A-H N 8.21 ambi=1 { N:123.3 } ::sumAvg: 4.355 atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } atom: 135 15E-H N 7.94 ambi=1 { N:116.7 } ::sumAvg: 3.52 atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } ::sumAvg: 4.25 atom: 148 16E-HB2 B 1.99 ambi=2 { CB:28.1 } atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } :: atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } ::sumAvg: 4.845 atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } atom: 157 17F-H N 8.03 ambi=1 { N:119.5 } ::sumAvg: 3.42 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } ::sumAvg: 3.05 atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } ::sumAvg: 4.955 atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } ::sumAvg: 4.3 atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 3.505 atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } ::sumAvg: 4.405 atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } :: atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } ::sumAvg: 2.37 atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } :: atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } ::sumAvg: 3.44 atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } :: atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } ::sumAvg: 3.44 atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 3.89 atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } ::sumAvg: 3.89 atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.935 atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } ::sumAvg: 4.935 atom: 129 14A-HA A 3.67 ambi=1 { CA:56.1 } atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } ::sumAvg: 4.385 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 136 15E-HA A 3.96 ambi=1 { CA:58.7 } ::sumAvg: 3.83 atom: 136 15E-HA A 3.96 ambi=1 { CA:58.7 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 3.83 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 137 15E-HB2 B 2.32 ambi=2 { CB:30.2 } :: atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 138 15E-HB3 B 1.99 ambi=2 { CB:30.2 } ::sumAvg: 4.25 atom: 137 15E-HB2 B 2.32 ambi=2 { CB:30.2 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } :: atom: 138 15E-HB3 B 1.99 ambi=2 { CB:30.2 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.25 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 139 15E-HG2 G 2.25 ambi=2 { CG:38 } :: atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 140 15E-HG3 G 1.93 ambi=2 { CG:38 } ::sumAvg: 4.655 atom: 139 15E-HG2 G 2.25 ambi=2 { CG:38 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } :: atom: 140 15E-HG3 G 1.93 ambi=2 { CG:38 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.655 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } ::sumAvg: 4.42 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 157 17F-H N 8.03 ambi=1 { N:119.5 } ::sumAvg: 4.58 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } :: atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } ::sumAvg: 4.295 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.295 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 4.395 atom: 173 18L-HB2 B 1.6 ambi=2 { CB:41.6 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } :: atom: 174 18L-HB3 B 2.13 ambi=2 { CB:41.6 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.735 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } :: atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } ::sumAvg: 4.045 atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } :: atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.045 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 3.11 atom: 271 27C-HA A 4.1 ambi=1 { CA:66.5 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.52 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } ::sumAvg: 3.82 atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.2 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } :: atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } ::sumAvg: 3.87 atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } :: atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 3.87 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 3.97 atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 3.97 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } ::sumAvg: 2.88 atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 2.88 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 2.685 atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 3.945 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } ::sumAvg: 4.6 atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.6 atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } ::sumAvg: 4.715 atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } atom: 130 14A-HB B 0.35 ambi=1 { CB:17.5 } ::sumAvg: 4.715 atom: 148 16E-HB2 B 1.99 ambi=2 { CB:28.1 } atom: 135 15E-H N 7.94 ambi=1 { N:116.7 } :: atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } atom: 135 15E-H N 7.94 ambi=1 { N:116.7 } ::sumAvg: 4.685 atom: 173 18L-HB2 B 1.6 ambi=2 { CB:41.6 } atom: 135 15E-H N 7.94 ambi=1 { N:116.7 } :: atom: 174 18L-HB3 B 2.13 ambi=2 { CB:41.6 } atom: 135 15E-H N 7.94 ambi=1 { N:116.7 } ::sumAvg: 4.975 atom: 136 15E-HA A 3.96 ambi=1 { CA:58.7 } atom: 185 19S-H N 8.18 ambi=1 { N:115.9 } ::sumAvg: 4.015 atom: 136 15E-HA A 3.96 ambi=1 { CA:58.7 } atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } ::sumAvg: 3.515 atom: 136 15E-HA A 3.96 ambi=1 { CA:58.7 } atom: 157 17F-H N 8.03 ambi=1 { N:119.5 } ::sumAvg: 4.28 atom: 175 18L-HG G 1.61 ambi=1 { CG:26.9 } atom: 136 15E-HA A 3.96 ambi=1 { CA:58.7 } ::sumAvg: 4.13 atom: 136 15E-HA A 3.96 ambi=1 { CA:58.7 } atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } :: atom: 136 15E-HA A 3.96 ambi=1 { CA:58.7 } atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } ::sumAvg: 2.76 atom: 136 15E-HA A 3.96 ambi=1 { CA:58.7 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 4.605 atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } atom: 136 15E-HA A 3.96 ambi=1 { CA:58.7 } ::sumAvg: 4.605 atom: 137 15E-HB2 B 2.32 ambi=2 { CB:30.2 } atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } :: atom: 138 15E-HB3 B 1.99 ambi=2 { CB:30.2 } atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } ::sumAvg: 2.73 atom: 137 15E-HB2 B 2.32 ambi=2 { CB:30.2 } atom: 147 16E-HA A 4.05 ambi=1 { CA:58.9 } :: atom: 138 15E-HB3 B 1.99 ambi=2 { CB:30.2 } atom: 147 16E-HA A 4.05 ambi=1 { CA:58.9 } ::sumAvg: 4.345 atom: 137 15E-HB2 B 2.32 ambi=2 { CB:30.2 } atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } ::sumAvg: 4.715 atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } atom: 137 15E-HB2 B 2.32 ambi=2 { CB:30.2 } ::sumAvg: 4.715 atom: 137 15E-HB2 B 2.32 ambi=2 { CB:30.2 } atom: 173 18L-HB2 B 1.6 ambi=2 { CB:41.6 } ::sumAvg: 4.53 atom: 173 18L-HB2 B 1.6 ambi=2 { CB:41.6 } atom: 137 15E-HB2 B 2.32 ambi=2 { CB:30.2 } ::sumAvg: 4.53 atom: 137 15E-HB2 B 2.32 ambi=2 { CB:30.2 } atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } :: atom: 137 15E-HB2 B 2.32 ambi=2 { CB:30.2 } atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } :: atom: 138 15E-HB3 B 1.99 ambi=2 { CB:30.2 } atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } :: atom: 138 15E-HB3 B 1.99 ambi=2 { CB:30.2 } atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } ::sumAvg: 4.345 atom: 139 15E-HG2 G 2.25 ambi=2 { CG:38 } atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } :: atom: 140 15E-HG3 G 1.93 ambi=2 { CG:38 } atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } ::sumAvg: 4.21 atom: 139 15E-HG2 G 2.25 ambi=2 { CG:38 } atom: 173 18L-HB2 B 1.6 ambi=2 { CB:41.6 } ::sumAvg: 4.435 atom: 173 18L-HB2 B 1.6 ambi=2 { CB:41.6 } atom: 139 15E-HG2 G 2.25 ambi=2 { CG:38 } ::sumAvg: 4.435 atom: 139 15E-HG2 G 2.25 ambi=2 { CG:38 } atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } :: atom: 139 15E-HG2 G 2.25 ambi=2 { CG:38 } atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } :: atom: 140 15E-HG3 G 1.93 ambi=2 { CG:38 } atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } :: atom: 140 15E-HG3 G 1.93 ambi=2 { CG:38 } atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } ::sumAvg: 3.61 atom: 139 15E-HG2 G 2.25 ambi=2 { CG:38 } atom: 1278 108K-HD2 D 1.84 ambi=2 { CD:28.8 } :: atom: 139 15E-HG2 G 2.25 ambi=2 { CG:38 } atom: 1279 108K-HD3 D 1.28 ambi=2 { CD:28.8 } :: atom: 140 15E-HG3 G 1.93 ambi=2 { CG:38 } atom: 1279 108K-HD3 D 1.28 ambi=2 { CD:28.8 } ::sumAvg: 4.405 atom: 139 15E-HG2 G 2.25 ambi=2 { CG:38 } atom: 1280 108K-QE E 2.93 ambi=2 { CE:41.8 } :: atom: 140 15E-HG3 G 1.93 ambi=2 { CG:38 } atom: 1280 108K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.98 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 146 16E-H N 7.68 ambi=1 { N:120.7 } ::sumAvg: 4.835 atom: 147 16E-HA A 4.05 ambi=1 { CA:58.9 } atom: 157 17F-H N 8.03 ambi=1 { N:119.5 } ::sumAvg: 3.51 atom: 147 16E-HA A 4.05 ambi=1 { CA:58.9 } atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } ::sumAvg: 4.455 atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } atom: 150 16E-HG2 G 2.34 ambi=2 { CG:34.6 } ::sumAvg: 2.4 atom: 150 16E-HG2 G 2.34 ambi=2 { CG:34.6 } atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } ::sumAvg: 2.4 atom: 148 16E-HB2 B 1.99 ambi=2 { CB:28.1 } atom: 158 17F-HA A 4.37 ambi=1 { CA:62 } :: atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } atom: 158 17F-HA A 4.37 ambi=1 { CA:62 } ::sumAvg: 4.345 atom: 148 16E-HB2 B 1.99 ambi=2 { CB:28.1 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } :: atom: 148 16E-HB2 B 1.99 ambi=2 { CB:28.1 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } :: atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } :: atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } ::sumAvg: 4.56 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 148 16E-HB2 B 1.99 ambi=2 { CB:28.1 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 148 16E-HB2 B 1.99 ambi=2 { CB:28.1 } :: atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } ::sumAvg: 4.56 atom: 148 16E-HB2 B 1.99 ambi=2 { CB:28.1 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } :: atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 3.89 atom: 148 16E-HB2 B 1.99 ambi=2 { CB:28.1 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } :: atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } ::sumAvg: 4.685 atom: 148 16E-HB2 B 1.99 ambi=2 { CB:28.1 } atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } :: atom: 149 16E-HB3 B 1.86 ambi=2 { CB:28.1 } atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } ::sumAvg: 4.865 atom: 150 16E-HG2 G 2.34 ambi=2 { CG:34.6 } atom: 157 17F-H N 8.03 ambi=1 { N:119.5 } :: atom: 151 16E-HG3 G 2.15 ambi=2 { CG:34.6 } atom: 157 17F-H N 8.03 ambi=1 { N:119.5 } ::sumAvg: 4.075 atom: 150 16E-HG2 G 2.34 ambi=2 { CG:34.6 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } :: atom: 151 16E-HG3 G 2.15 ambi=2 { CG:34.6 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 4.715 atom: 150 16E-HG2 G 2.34 ambi=2 { CG:34.6 } atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } :: atom: 151 16E-HG3 G 2.15 ambi=2 { CG:34.6 } atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } ::sumAvg: 4.895 atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } atom: 150 16E-HG2 G 2.34 ambi=2 { CG:34.6 } :: atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } atom: 151 16E-HG3 G 2.15 ambi=2 { CG:34.6 } ::sumAvg: 4.895 atom: 173 18L-HB2 B 1.6 ambi=2 { CB:41.6 } atom: 157 17F-H N 8.03 ambi=1 { N:119.5 } :: atom: 174 18L-HB3 B 2.13 ambi=2 { CB:41.6 } atom: 157 17F-H N 8.03 ambi=1 { N:119.5 } ::sumAvg: 4.505 atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } atom: 157 17F-H N 8.03 ambi=1 { N:119.5 } :: atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } atom: 157 17F-H N 8.03 ambi=1 { N:119.5 } ::sumAvg: 4.92 atom: 158 17F-HA A 4.37 ambi=1 { CA:62 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } ::sumAvg: 4.325 atom: 158 17F-HA A 4.37 ambi=1 { CA:62 } atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } ::sumAvg: 3.5 atom: 158 17F-HA A 4.37 ambi=1 { CA:62 } atom: 172 18L-HA A 3.79 ambi=1 { CA:58.7 } ::sumAvg: 4.775 atom: 172 18L-HA A 3.79 ambi=1 { CA:58.7 } atom: 158 17F-HA A 4.37 ambi=1 { CA:62 } ::sumAvg: 4.775 atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } atom: 158 17F-HA A 4.37 ambi=1 { CA:62 } :: atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } atom: 158 17F-HA A 4.37 ambi=1 { CA:62 } ::sumAvg: 2.225 atom: 197 20K-QG G 1.61 ambi=2 { CG:25.1 } atom: 158 17F-HA A 4.37 ambi=1 { CA:62 } ::sumAvg: 3.555 atom: 158 17F-HA A 4.37 ambi=1 { CA:62 } atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } ::sumAvg: 2.775 atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } atom: 158 17F-HA A 4.37 ambi=1 { CA:62 } ::sumAvg: 2.775 atom: 158 17F-HA A 4.37 ambi=1 { CA:62 } atom: 201 20K-QE E 2.93 ambi=2 { CE:42.1 } ::sumAvg: 4.535 atom: 201 20K-QE E 2.93 ambi=2 { CE:42.1 } atom: 158 17F-HA A 4.37 ambi=1 { CA:62 } ::sumAvg: 4.535 atom: 158 17F-HA A 4.37 ambi=1 { CA:62 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 4.47 atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } atom: 158 17F-HA A 4.37 ambi=1 { CA:62 } ::sumAvg: 4.47 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } ::sumAvg: 4.38 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } ::sumAvg: 2.89 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 172 18L-HA A 3.79 ambi=1 { CA:58.7 } ::sumAvg: 4.385 atom: 172 18L-HA A 3.79 ambi=1 { CA:58.7 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } ::sumAvg: 4.385 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 173 18L-HB2 B 1.6 ambi=2 { CB:41.6 } :: atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 174 18L-HB3 B 2.13 ambi=2 { CB:41.6 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 173 18L-HB2 B 1.6 ambi=2 { CB:41.6 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 174 18L-HB3 B 2.13 ambi=2 { CB:41.6 } ::sumAvg: 4.73 atom: 173 18L-HB2 B 1.6 ambi=2 { CB:41.6 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } :: atom: 174 18L-HB3 B 2.13 ambi=2 { CB:41.6 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } :: atom: 173 18L-HB2 B 1.6 ambi=2 { CB:41.6 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } :: atom: 174 18L-HB3 B 2.13 ambi=2 { CB:41.6 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } ::sumAvg: 4.73 atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } ::sumAvg: 2.485 atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } :: atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } ::sumAvg: 2.485 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 193 20K-H N 7.41 ambi=1 { N:118.7 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 193 20K-H N 7.41 ambi=1 { N:118.7 } ::sumAvg: 4.99 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } :: atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } ::sumAvg: 4.075 atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } :: atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } :: atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } :: atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } ::sumAvg: 4.075 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } ::sumAvg: 4.52 atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } :: atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } ::sumAvg: 4.52 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } ::sumAvg: 3.59 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } ::sumAvg: 4.96 atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } :: atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } ::sumAvg: 4.96 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 264 26A-HA A 3.87 ambi=1 { CA:56.2 } ::sumAvg: 2.455 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 2.53 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 225 23L-HA A 3.89 ambi=1 { CA:58.1 } ::sumAvg: 4.655 atom: 225 23L-HA A 3.89 ambi=1 { CA:58.1 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } ::sumAvg: 4.655 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 249 25Q-H N 7.42 ambi=1 { N:116.2 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 249 25Q-H N 7.42 ambi=1 { N:116.2 } ::sumAvg: 4.3 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 251 25Q-HB2 B 0.53 ambi=2 { CB:26.7 } :: atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 252 25Q-HB3 B 0.73 ambi=2 { CB:26.7 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 251 25Q-HB2 B 0.53 ambi=2 { CB:26.7 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 252 25Q-HB3 B 0.73 ambi=2 { CB:26.7 } ::sumAvg: 2.905 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 253 25Q-HG2 G 1.77 ambi=2 { CG:35.3 } :: atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 254 25Q-HG3 G 2.09 ambi=2 { CG:35.3 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 253 25Q-HG2 G 1.77 ambi=2 { CG:35.3 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 254 25Q-HG3 G 2.09 ambi=2 { CG:35.3 } ::sumAvg: 4.74 atom: 253 25Q-HG2 G 1.77 ambi=2 { CG:35.3 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } :: atom: 254 25Q-HG3 G 2.09 ambi=2 { CG:35.3 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } :: atom: 253 25Q-HG2 G 1.77 ambi=2 { CG:35.3 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } :: atom: 254 25Q-HG3 G 2.09 ambi=2 { CG:35.3 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } ::sumAvg: 4.74 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 263 26A-H N 7.98 ambi=1 { N:119.8 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 263 26A-H N 7.98 ambi=1 { N:119.8 } ::sumAvg: 2.95 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } ::sumAvg: 4.465 atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } :: atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } :: atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } ::sumAvg: 4.555 atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } :: atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } atom: 159 17F-HB2 B 2.83 ambi=2 { CB:37.8 } :: atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } :: atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } atom: 160 17F-HB3 B 3.57 ambi=2 { CB:37.8 } ::sumAvg: 4.555 atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } :: atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 3.41 atom: 197 20K-QG G 1.61 ambi=2 { CG:25.1 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 4.48 atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 2.765 atom: 201 20K-QE E 2.93 ambi=2 { CE:42.1 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 4.685 atom: 264 26A-HA A 3.87 ambi=1 { CA:56.2 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 3.225 atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 4.025 atom: 250 25Q-HA A 3.76 ambi=1 { CA:58.8 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 4.815 atom: 251 25Q-HB2 B 0.53 ambi=2 { CB:26.7 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } :: atom: 252 25Q-HB3 B 0.73 ambi=2 { CB:26.7 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 2.955 atom: 253 25Q-HG2 G 1.77 ambi=2 { CG:35.3 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } :: atom: 254 25Q-HG3 G 2.09 ambi=2 { CG:35.3 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 4.225 atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } :: atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 3.705 atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } :: atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 3.235 atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } atom: 161 17F-QD D 7.1 ambi=3 { CD1:130.7 } ::sumAvg: 3.5 atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } ::sumAvg: 3.575 atom: 201 20K-QE E 2.93 ambi=2 { CE:42.1 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } ::sumAvg: 4.885 atom: 251 25Q-HB2 B 0.53 ambi=2 { CB:26.7 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } :: atom: 252 25Q-HB3 B 0.73 ambi=2 { CB:26.7 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } ::sumAvg: 3.19 atom: 253 25Q-HG2 G 1.77 ambi=2 { CG:35.3 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } :: atom: 254 25Q-HG3 G 2.09 ambi=2 { CG:35.3 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } ::sumAvg: 3.96 atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } :: atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } ::sumAvg: 4.83 atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } :: atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } ::sumAvg: 3.305 atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } ::sumAvg: 3.43 atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } atom: 163 17F-QE E 7.21 ambi=3 { CE1:130.8 } ::sumAvg: 2.015 atom: 187 19S-QB B 4.04 ambi=2 { CB:62.8 } atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } ::sumAvg: 4.715 atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } :: atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } ::sumAvg: 4.895 atom: 264 26A-HA A 3.87 ambi=1 { CA:56.2 } atom: 171 18L-H N 9.12 ambi=1 { N:122.2 } ::sumAvg: 4.235 atom: 172 18L-HA A 3.79 ambi=1 { CA:58.7 } atom: 186 19S-HA A 4.21 ambi=1 { CA:61.3 } ::sumAvg: 4.735 atom: 186 19S-HA A 4.21 ambi=1 { CA:61.3 } atom: 172 18L-HA A 3.79 ambi=1 { CA:58.7 } ::sumAvg: 4.735 atom: 172 18L-HA A 3.79 ambi=1 { CA:58.7 } atom: 211 21G-HA2 A 4.29 ambi=2 { CA:45.5 } ::sumAvg: 4.13 atom: 211 21G-HA2 A 4.29 ambi=2 { CA:45.5 } atom: 172 18L-HA A 3.79 ambi=1 { CA:58.7 } ::sumAvg: 4.13 atom: 173 18L-HB2 B 1.6 ambi=2 { CB:41.6 } atom: 186 19S-HA A 4.21 ambi=1 { CA:61.3 } :: atom: 174 18L-HB3 B 2.13 ambi=2 { CB:41.6 } atom: 186 19S-HA A 4.21 ambi=1 { CA:61.3 } ::sumAvg: 4.36 atom: 186 19S-HA A 4.21 ambi=1 { CA:61.3 } atom: 173 18L-HB2 B 1.6 ambi=2 { CB:41.6 } :: atom: 186 19S-HA A 4.21 ambi=1 { CA:61.3 } atom: 174 18L-HB3 B 2.13 ambi=2 { CB:41.6 } ::sumAvg: 4.36 atom: 173 18L-HB2 B 1.6 ambi=2 { CB:41.6 } atom: 187 19S-QB B 4.04 ambi=2 { CB:62.8 } :: atom: 174 18L-HB3 B 2.13 ambi=2 { CB:41.6 } atom: 187 19S-QB B 4.04 ambi=2 { CB:62.8 } ::sumAvg: 4.295 atom: 187 19S-QB B 4.04 ambi=2 { CB:62.8 } atom: 173 18L-HB2 B 1.6 ambi=2 { CB:41.6 } :: atom: 187 19S-QB B 4.04 ambi=2 { CB:62.8 } atom: 174 18L-HB3 B 2.13 ambi=2 { CB:41.6 } ::sumAvg: 4.295 atom: 173 18L-HB2 B 1.6 ambi=2 { CB:41.6 } atom: 193 20K-H N 7.41 ambi=1 { N:118.7 } :: atom: 174 18L-HB3 B 2.13 ambi=2 { CB:41.6 } atom: 193 20K-H N 7.41 ambi=1 { N:118.7 } ::sumAvg: 4.805 atom: 174 18L-HB3 B 2.13 ambi=2 { CB:41.6 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 3.155 atom: 175 18L-HG G 1.61 ambi=1 { CG:26.9 } atom: 185 19S-H N 8.18 ambi=1 { N:115.9 } ::sumAvg: 4.285 atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } atom: 186 19S-HA A 4.21 ambi=1 { CA:61.3 } :: atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } atom: 186 19S-HA A 4.21 ambi=1 { CA:61.3 } ::sumAvg: 4.485 atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } :: atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } ::sumAvg: 4.59 atom: 211 21G-HA2 A 4.29 ambi=2 { CA:45.5 } atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } :: atom: 212 21G-HA3 A 3.72 ambi=2 { CA:45.5 } atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } :: atom: 211 21G-HA2 A 4.29 ambi=2 { CA:45.5 } atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } :: atom: 212 21G-HA3 A 3.72 ambi=2 { CA:45.5 } atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } ::sumAvg: 4.795 atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } :: atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 2.865 atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } :: atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } :: atom: 227 23L-HB3 B 1.4 ambi=2 { CB:41.6 } atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } ::sumAvg: 4.6 atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } :: atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 4.435 atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } :: atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } ::sumAvg: 4.365 atom: 1226 105K-QB B 1.88 ambi=2 { CB:32.3 } atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } :: atom: 1226 105K-QB B 1.88 ambi=2 { CB:32.3 } atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } ::sumAvg: 4.595 atom: 1229 105K-HG3 G 1.69 ambi=2 { CG:28 } atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } :: atom: 1229 105K-HG3 G 1.69 ambi=2 { CG:28 } atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } ::sumAvg: 3.83 atom: 176 18L-HD1 D1 1.04 ambi=2 { CD1:26.8 } atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } :: atom: 177 18L-HD2 D2 0.92 ambi=2 { CD2:24.3 } atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } ::sumAvg: 3.335 atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } :: atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 4.18 atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } :: atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } ::sumAvg: 4.18 atom: 225 23L-HA A 3.89 ambi=1 { CA:58.1 } atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } :: atom: 225 23L-HA A 3.89 ambi=1 { CA:58.1 } atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } ::sumAvg: 4.89 atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } atom: 238 24V-H N 8.25 ambi=1 { N:119.7 } :: atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } atom: 238 24V-H N 8.25 ambi=1 { N:119.7 } ::sumAvg: 4.53 atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } atom: 249 25Q-H N 7.42 ambi=1 { N:116.2 } :: atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } atom: 249 25Q-H N 7.42 ambi=1 { N:116.2 } ::sumAvg: 3.805 atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } atom: 251 25Q-HB2 B 0.53 ambi=2 { CB:26.7 } :: atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } atom: 252 25Q-HB3 B 0.73 ambi=2 { CB:26.7 } :: atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } atom: 251 25Q-HB2 B 0.53 ambi=2 { CB:26.7 } :: atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } atom: 252 25Q-HB3 B 0.73 ambi=2 { CB:26.7 } ::sumAvg: 3.005 atom: 251 25Q-HB2 B 0.53 ambi=2 { CB:26.7 } atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } :: atom: 252 25Q-HB3 B 0.73 ambi=2 { CB:26.7 } atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } :: atom: 251 25Q-HB2 B 0.53 ambi=2 { CB:26.7 } atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } :: atom: 252 25Q-HB3 B 0.73 ambi=2 { CB:26.7 } atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } ::sumAvg: 3.005 atom: 253 25Q-HG2 G 1.77 ambi=2 { CG:35.3 } atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } :: atom: 254 25Q-HG3 G 2.09 ambi=2 { CG:35.3 } atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } :: atom: 253 25Q-HG2 G 1.77 ambi=2 { CG:35.3 } atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } :: atom: 254 25Q-HG3 G 2.09 ambi=2 { CG:35.3 } atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } ::sumAvg: 4.28 atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } atom: 263 26A-H N 7.98 ambi=1 { N:119.8 } :: atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } atom: 263 26A-H N 7.98 ambi=1 { N:119.8 } ::sumAvg: 3.965 atom: 187 19S-QB B 4.04 ambi=2 { CB:62.8 } atom: 194 20K-HA A 4.45 ambi=1 { CA:56 } ::sumAvg: 4.25 atom: 194 20K-HA A 4.45 ambi=1 { CA:56 } atom: 187 19S-QB B 4.04 ambi=2 { CB:62.8 } ::sumAvg: 4.25 atom: 187 19S-QB B 4.04 ambi=2 { CB:62.8 } atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } :: atom: 187 19S-QB B 4.04 ambi=2 { CB:62.8 } atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } ::sumAvg: 4.835 atom: 187 19S-QB B 4.04 ambi=2 { CB:62.8 } atom: 197 20K-QG G 1.61 ambi=2 { CG:25.1 } ::sumAvg: 4.75 atom: 211 21G-HA2 A 4.29 ambi=2 { CA:45.5 } atom: 193 20K-H N 7.41 ambi=1 { N:118.7 } :: atom: 212 21G-HA3 A 3.72 ambi=2 { CA:45.5 } atom: 193 20K-H N 7.41 ambi=1 { N:118.7 } ::sumAvg: 4.775 atom: 194 20K-HA A 4.45 ambi=1 { CA:56 } atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } ::sumAvg: 3.97 atom: 201 20K-QE E 2.93 ambi=2 { CE:42.1 } atom: 194 20K-HA A 4.45 ambi=1 { CA:56 } ::sumAvg: 4.6 atom: 194 20K-HA A 4.45 ambi=1 { CA:56 } atom: 212 21G-HA3 A 3.72 ambi=2 { CA:45.5 } ::sumAvg: 4.49 atom: 212 21G-HA3 A 3.72 ambi=2 { CA:45.5 } atom: 194 20K-HA A 4.45 ambi=1 { CA:56 } ::sumAvg: 4.49 atom: 194 20K-HA A 4.45 ambi=1 { CA:56 } atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } ::sumAvg: 4.78 atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } :: atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } :: atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } :: atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } ::sumAvg: 3.585 atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } :: atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } :: atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } :: atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } ::sumAvg: 3.585 atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } ::sumAvg: 2.37 atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } ::sumAvg: 2.37 atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } atom: 201 20K-QE E 2.93 ambi=2 { CE:42.1 } :: atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } atom: 201 20K-QE E 2.93 ambi=2 { CE:42.1 } ::sumAvg: 3.965 atom: 201 20K-QE E 2.93 ambi=2 { CE:42.1 } atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } :: atom: 201 20K-QE E 2.93 ambi=2 { CE:42.1 } atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } ::sumAvg: 3.965 atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } :: atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } ::sumAvg: 2.95 atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } atom: 211 21G-HA2 A 4.29 ambi=2 { CA:45.5 } :: atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } atom: 212 21G-HA3 A 3.72 ambi=2 { CA:45.5 } :: atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } atom: 211 21G-HA2 A 4.29 ambi=2 { CA:45.5 } :: atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } atom: 212 21G-HA3 A 3.72 ambi=2 { CA:45.5 } ::sumAvg: 4.715 atom: 211 21G-HA2 A 4.29 ambi=2 { CA:45.5 } atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } :: atom: 212 21G-HA3 A 3.72 ambi=2 { CA:45.5 } atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } :: atom: 211 21G-HA2 A 4.29 ambi=2 { CA:45.5 } atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } :: atom: 212 21G-HA3 A 3.72 ambi=2 { CA:45.5 } atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } ::sumAvg: 4.715 atom: 195 20K-HB2 B 1.95 ambi=2 { CB:33.1 } atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } :: atom: 196 20K-HB3 B 2.12 ambi=2 { CB:33.1 } atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } ::sumAvg: 2.91 atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } atom: 197 20K-QG G 1.61 ambi=2 { CG:25.1 } :: atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } atom: 197 20K-QG G 1.61 ambi=2 { CG:25.1 } ::sumAvg: 4.46 atom: 197 20K-QG G 1.61 ambi=2 { CG:25.1 } atom: 201 20K-QE E 2.93 ambi=2 { CE:42.1 } ::sumAvg: 2.13 atom: 201 20K-QE E 2.93 ambi=2 { CE:42.1 } atom: 197 20K-QG G 1.61 ambi=2 { CG:25.1 } ::sumAvg: 2.13 atom: 197 20K-QG G 1.61 ambi=2 { CG:25.1 } atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } ::sumAvg: 3.97 atom: 197 20K-QG G 1.61 ambi=2 { CG:25.1 } atom: 211 21G-HA2 A 4.29 ambi=2 { CA:45.5 } :: atom: 197 20K-QG G 1.61 ambi=2 { CG:25.1 } atom: 212 21G-HA3 A 3.72 ambi=2 { CA:45.5 } ::sumAvg: 4.85 atom: 211 21G-HA2 A 4.29 ambi=2 { CA:45.5 } atom: 197 20K-QG G 1.61 ambi=2 { CG:25.1 } :: atom: 212 21G-HA3 A 3.72 ambi=2 { CA:45.5 } atom: 197 20K-QG G 1.61 ambi=2 { CG:25.1 } ::sumAvg: 4.85 atom: 197 20K-QG G 1.61 ambi=2 { CG:25.1 } atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } ::sumAvg: 4.215 atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } :: atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } ::sumAvg: 3.885 atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } :: atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } ::sumAvg: 3.885 atom: 199 20K-QD D 1.7 ambi=2 { CD:29.3 } atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } ::sumAvg: 4.9 atom: 218 22D-HB2 B 3.09 ambi=2 { CB:38.8 } atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } :: atom: 219 22D-HB3 B 2.58 ambi=2 { CB:38.8 } atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } ::sumAvg: 4.42 atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } atom: 210 21G-H N 8.02 ambi=1 { N:107.9 } ::sumAvg: 4.85 atom: 211 21G-HA2 A 4.29 ambi=2 { CA:45.5 } atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } :: atom: 212 21G-HA3 A 3.72 ambi=2 { CA:45.5 } atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } ::sumAvg: 4.475 atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } atom: 211 21G-HA2 A 4.29 ambi=2 { CA:45.5 } :: atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } atom: 212 21G-HA3 A 3.72 ambi=2 { CA:45.5 } ::sumAvg: 4.475 atom: 211 21G-HA2 A 4.29 ambi=2 { CA:45.5 } atom: 224 23L-H N 7.89 ambi=1 { N:121.7 } :: atom: 212 21G-HA3 A 3.72 ambi=2 { CA:45.5 } atom: 224 23L-H N 7.89 ambi=1 { N:121.7 } ::sumAvg: 4.96 atom: 211 21G-HA2 A 4.29 ambi=2 { CA:45.5 } atom: 228 23L-HG G 1.76 ambi=1 { CG:27.3 } :: atom: 212 21G-HA3 A 3.72 ambi=2 { CA:45.5 } atom: 228 23L-HG G 1.76 ambi=1 { CG:27.3 } ::sumAvg: 4.3 atom: 211 21G-HA2 A 4.29 ambi=2 { CA:45.5 } atom: 229 23L-HD1 D1 0.87 ambi=2 { CD1:25.3 } :: atom: 211 21G-HA2 A 4.29 ambi=2 { CA:45.5 } atom: 230 23L-HD2 D2 0.77 ambi=2 { CD2:23.1 } :: atom: 212 21G-HA3 A 3.72 ambi=2 { CA:45.5 } atom: 229 23L-HD1 D1 0.87 ambi=2 { CD1:25.3 } :: atom: 212 21G-HA3 A 3.72 ambi=2 { CA:45.5 } atom: 230 23L-HD2 D2 0.77 ambi=2 { CD2:23.1 } ::sumAvg: 3.97 atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } atom: 216 22D-H N 8.2 ambi=1 { N:121.8 } ::sumAvg: 4.355 atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } atom: 225 23L-HA A 3.89 ambi=1 { CA:58.1 } ::sumAvg: 4.415 atom: 225 23L-HA A 3.89 ambi=1 { CA:58.1 } atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } ::sumAvg: 4.415 atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } :: atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } atom: 227 23L-HB3 B 1.4 ambi=2 { CB:41.6 } ::sumAvg: 4.41 atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } :: atom: 227 23L-HB3 B 1.4 ambi=2 { CB:41.6 } atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } ::sumAvg: 4.41 atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } atom: 228 23L-HG G 1.76 ambi=1 { CG:27.3 } ::sumAvg: 4.035 atom: 228 23L-HG G 1.76 ambi=1 { CG:27.3 } atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } ::sumAvg: 4.035 atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } atom: 229 23L-HD1 D1 0.87 ambi=2 { CD1:25.3 } :: atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } atom: 230 23L-HD2 D2 0.77 ambi=2 { CD2:23.1 } ::sumAvg: 4.585 atom: 229 23L-HD1 D1 0.87 ambi=2 { CD1:25.3 } atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } :: atom: 230 23L-HD2 D2 0.77 ambi=2 { CD2:23.1 } atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } ::sumAvg: 4.585 atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } atom: 238 24V-H N 8.25 ambi=1 { N:119.7 } ::sumAvg: 3.485 atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } atom: 240 24V-HB B 1.99 ambi=1 { CB:31.9 } ::sumAvg: 4.95 atom: 240 24V-HB B 1.99 ambi=1 { CB:31.9 } atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } ::sumAvg: 4.95 atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } atom: 241 24V-HG1 G1 0.86 ambi=2 { CG1:21 } :: atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } atom: 242 24V-HG2 G2 1.05 ambi=2 { CG2:23 } ::sumAvg: 4.685 atom: 241 24V-HG1 G1 0.86 ambi=2 { CG1:21 } atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } :: atom: 242 24V-HG2 G2 1.05 ambi=2 { CG2:23 } atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } ::sumAvg: 4.685 atom: 217 22D-HA A 4.92 ambi=1 { CA:51.6 } atom: 249 25Q-H N 7.42 ambi=1 { N:116.2 } ::sumAvg: 4.51 atom: 264 26A-HA A 3.87 ambi=1 { CA:56.2 } atom: 270 27C-H N 8.35 ambi=1 { N:114.1 } ::sumAvg: 3.55 atom: 264 26A-HA A 3.87 ambi=1 { CA:56.2 } atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } ::sumAvg: 4.535 atom: 264 26A-HA A 3.87 ambi=1 { CA:56.2 } atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } ::sumAvg: 3.55 atom: 264 26A-HA A 3.87 ambi=1 { CA:56.2 } atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 264 26A-HA A 3.87 ambi=1 { CA:56.2 } atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } ::sumAvg: 2.955 atom: 264 26A-HA A 3.87 ambi=1 { CA:56.2 } atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } :: atom: 264 26A-HA A 3.87 ambi=1 { CA:56.2 } atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } ::sumAvg: 4.04 atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } atom: 264 26A-HA A 3.87 ambi=1 { CA:56.2 } :: atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } atom: 264 26A-HA A 3.87 ambi=1 { CA:56.2 } ::sumAvg: 4.04 atom: 264 26A-HA A 3.87 ambi=1 { CA:56.2 } atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 4.86 atom: 264 26A-HA A 3.87 ambi=1 { CA:56.2 } atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } ::sumAvg: 4.24 atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } atom: 271 27C-HA A 4.1 ambi=1 { CA:66.5 } ::sumAvg: 3.815 atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 4.025 atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } ::sumAvg: 4.495 atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } ::sumAvg: 4.605 atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 4.35 atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } ::sumAvg: 4.58 atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 4.58 atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 4.2 atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } ::sumAvg: 4.58 atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } atom: 1215 104V-HB B 2.05 ambi=1 { CB:31.6 } ::sumAvg: 4.695 atom: 1215 104V-HB B 2.05 ambi=1 { CB:31.6 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 4.695 atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } :: atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 2.765 atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } atom: 224 23L-H N 7.89 ambi=1 { N:121.7 } ::sumAvg: 4.4 atom: 240 24V-HB B 1.99 ambi=1 { CB:31.9 } atom: 224 23L-H N 7.89 ambi=1 { N:121.7 } ::sumAvg: 4.65 atom: 225 23L-HA A 3.89 ambi=1 { CA:58.1 } atom: 239 24V-HA A 3.48 ambi=1 { CA:67.2 } ::sumAvg: 4.76 atom: 239 24V-HA A 3.48 ambi=1 { CA:67.2 } atom: 225 23L-HA A 3.89 ambi=1 { CA:58.1 } ::sumAvg: 4.76 atom: 225 23L-HA A 3.89 ambi=1 { CA:58.1 } atom: 249 25Q-H N 7.42 ambi=1 { N:116.2 } ::sumAvg: 4.605 atom: 225 23L-HA A 3.89 ambi=1 { CA:58.1 } atom: 270 27C-H N 8.35 ambi=1 { N:114.1 } ::sumAvg: 3.945 atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } atom: 239 24V-HA A 3.48 ambi=1 { CA:67.2 } :: atom: 227 23L-HB3 B 1.4 ambi=2 { CB:41.6 } atom: 239 24V-HA A 3.48 ambi=1 { CA:67.2 } ::sumAvg: 4.26 atom: 241 24V-HG1 G1 0.86 ambi=2 { CG1:21 } atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } :: atom: 242 24V-HG2 G2 1.05 ambi=2 { CG2:23 } atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } :: atom: 241 24V-HG1 G1 0.86 ambi=2 { CG1:21 } atom: 227 23L-HB3 B 1.4 ambi=2 { CB:41.6 } ::sumAvg: 3.39 atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } atom: 270 27C-H N 8.35 ambi=1 { N:114.1 } :: atom: 227 23L-HB3 B 1.4 ambi=2 { CB:41.6 } atom: 270 27C-H N 8.35 ambi=1 { N:114.1 } ::sumAvg: 4.86 atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } :: atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } :: atom: 227 23L-HB3 B 1.4 ambi=2 { CB:41.6 } atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } :: atom: 227 23L-HB3 B 1.4 ambi=2 { CB:41.6 } atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } ::sumAvg: 4.915 atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } :: atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 227 23L-HB3 B 1.4 ambi=2 { CB:41.6 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 227 23L-HB3 B 1.4 ambi=2 { CB:41.6 } ::sumAvg: 4.915 atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } atom: 1152 99L-HB3 B 1.34 ambi=2 { CB:44 } ::sumAvg: 3.42 atom: 1152 99L-HB3 B 1.34 ambi=2 { CB:44 } atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } ::sumAvg: 3.42 atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } :: atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } :: atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } atom: 227 23L-HB3 B 1.4 ambi=2 { CB:41.6 } :: atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } atom: 227 23L-HB3 B 1.4 ambi=2 { CB:41.6 } ::sumAvg: 4.265 atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } atom: 1175 101E-HA A 3.69 ambi=1 { CA:60.5 } :: atom: 227 23L-HB3 B 1.4 ambi=2 { CB:41.6 } atom: 1175 101E-HA A 3.69 ambi=1 { CA:60.5 } ::sumAvg: 4.83 atom: 227 23L-HB3 B 1.4 ambi=2 { CB:41.6 } atom: 1215 104V-HB B 2.05 ambi=1 { CB:31.6 } ::sumAvg: 4.18 atom: 1215 104V-HB B 2.05 ambi=1 { CB:31.6 } atom: 227 23L-HB3 B 1.4 ambi=2 { CB:41.6 } ::sumAvg: 4.18 atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } :: atom: 226 23L-HB2 B 1.91 ambi=2 { CB:41.6 } atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } :: atom: 227 23L-HB3 B 1.4 ambi=2 { CB:41.6 } atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } :: atom: 227 23L-HB3 B 1.4 ambi=2 { CB:41.6 } atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } ::sumAvg: 2.3 atom: 228 23L-HG G 1.76 ambi=1 { CG:27.3 } atom: 1175 101E-HA A 3.69 ambi=1 { CA:60.5 } ::sumAvg: 4.975 atom: 1175 101E-HA A 3.69 ambi=1 { CA:60.5 } atom: 228 23L-HG G 1.76 ambi=1 { CG:27.3 } ::sumAvg: 4.975 atom: 229 23L-HD1 D1 0.87 ambi=2 { CD1:25.3 } atom: 263 26A-H N 7.98 ambi=1 { N:119.8 } :: atom: 230 23L-HD2 D2 0.77 ambi=2 { CD2:23.1 } atom: 263 26A-H N 7.98 ambi=1 { N:119.8 } ::sumAvg: 4.82 atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } atom: 229 23L-HD1 D1 0.87 ambi=2 { CD1:25.3 } :: atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } atom: 230 23L-HD2 D2 0.77 ambi=2 { CD2:23.1 } ::sumAvg: 3.22 atom: 229 23L-HD1 D1 0.87 ambi=2 { CD1:25.3 } atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } :: atom: 229 23L-HD1 D1 0.87 ambi=2 { CD1:25.3 } atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } :: atom: 230 23L-HD2 D2 0.77 ambi=2 { CD2:23.1 } atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } :: atom: 230 23L-HD2 D2 0.77 ambi=2 { CD2:23.1 } atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } ::sumAvg: 4.58 atom: 229 23L-HD1 D1 0.87 ambi=2 { CD1:25.3 } atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } :: atom: 230 23L-HD2 D2 0.77 ambi=2 { CD2:23.1 } atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } ::sumAvg: 4.855 atom: 229 23L-HD1 D1 0.87 ambi=2 { CD1:25.3 } atom: 1224 105K-H N 8.33 ambi=1 { N:116.9 } :: atom: 230 23L-HD2 D2 0.77 ambi=2 { CD2:23.1 } atom: 1224 105K-H N 8.33 ambi=1 { N:116.9 } ::sumAvg: 4.675 atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } atom: 238 24V-H N 8.25 ambi=1 { N:119.7 } ::sumAvg: 4.305 atom: 253 25Q-HG2 G 1.77 ambi=2 { CG:35.3 } atom: 238 24V-H N 8.25 ambi=1 { N:119.7 } :: atom: 254 25Q-HG3 G 2.09 ambi=2 { CG:35.3 } atom: 238 24V-H N 8.25 ambi=1 { N:119.7 } ::sumAvg: 4.75 atom: 239 24V-HA A 3.48 ambi=1 { CA:67.2 } atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } ::sumAvg: 4.775 atom: 265 26A-HB B 1.52 ambi=1 { CB:17.7 } atom: 239 24V-HA A 3.48 ambi=1 { CA:67.2 } ::sumAvg: 4.775 atom: 239 24V-HA A 3.48 ambi=1 { CA:67.2 } atom: 249 25Q-H N 7.42 ambi=1 { N:116.2 } ::sumAvg: 3.555 atom: 239 24V-HA A 3.48 ambi=1 { CA:67.2 } atom: 263 26A-H N 7.98 ambi=1 { N:119.8 } ::sumAvg: 4.405 atom: 239 24V-HA A 3.48 ambi=1 { CA:67.2 } atom: 270 27C-H N 8.35 ambi=1 { N:114.1 } ::sumAvg: 3.67 atom: 239 24V-HA A 3.48 ambi=1 { CA:67.2 } atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } ::sumAvg: 2.965 atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 239 24V-HA A 3.48 ambi=1 { CA:67.2 } ::sumAvg: 2.965 atom: 239 24V-HA A 3.48 ambi=1 { CA:67.2 } atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } ::sumAvg: 4.37 atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } atom: 239 24V-HA A 3.48 ambi=1 { CA:67.2 } :: atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } atom: 239 24V-HA A 3.48 ambi=1 { CA:67.2 } ::sumAvg: 4.695 atom: 240 24V-HB B 1.99 ambi=1 { CB:31.9 } atom: 250 25Q-HA A 3.76 ambi=1 { CA:58.8 } ::sumAvg: 4.44 atom: 250 25Q-HA A 3.76 ambi=1 { CA:58.8 } atom: 240 24V-HB B 1.99 ambi=1 { CB:31.9 } ::sumAvg: 4.44 atom: 251 25Q-HB2 B 0.53 ambi=2 { CB:26.7 } atom: 240 24V-HB B 1.99 ambi=1 { CB:31.9 } :: atom: 252 25Q-HB3 B 0.73 ambi=2 { CB:26.7 } atom: 240 24V-HB B 1.99 ambi=1 { CB:31.9 } ::sumAvg: 4.605 atom: 240 24V-HB B 1.99 ambi=1 { CB:31.9 } atom: 255 25Q-HE21 E2 7.67 ambi=2 { NE2:113.7 } :: atom: 240 24V-HB B 1.99 ambi=1 { CB:31.9 } atom: 256 25Q-HE22 E2 6.72 ambi=2 { NE2:113.7 } ::sumAvg: 4.715 atom: 242 24V-HG2 G2 1.05 ambi=2 { CG2:23 } atom: 251 25Q-HB2 B 0.53 ambi=2 { CB:26.7 } ::sumAvg: 4.75 atom: 241 24V-HG1 G1 0.86 ambi=2 { CG1:21 } atom: 255 25Q-HE21 E2 7.67 ambi=2 { NE2:113.7 } :: atom: 241 24V-HG1 G1 0.86 ambi=2 { CG1:21 } atom: 256 25Q-HE22 E2 6.72 ambi=2 { NE2:113.7 } :: atom: 242 24V-HG2 G2 1.05 ambi=2 { CG2:23 } atom: 255 25Q-HE21 E2 7.67 ambi=2 { NE2:113.7 } :: atom: 242 24V-HG2 G2 1.05 ambi=2 { CG2:23 } atom: 256 25Q-HE22 E2 6.72 ambi=2 { NE2:113.7 } ::sumAvg: 4.11 atom: 241 24V-HG1 G1 0.86 ambi=2 { CG1:21 } atom: 270 27C-H N 8.35 ambi=1 { N:114.1 } :: atom: 242 24V-HG2 G2 1.05 ambi=2 { CG2:23 } atom: 270 27C-H N 8.35 ambi=1 { N:114.1 } ::sumAvg: 4.845 atom: 241 24V-HG1 G1 0.86 ambi=2 { CG1:21 } atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } :: atom: 241 24V-HG1 G1 0.86 ambi=2 { CG1:21 } atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } :: atom: 242 24V-HG2 G2 1.05 ambi=2 { CG2:23 } atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } :: atom: 242 24V-HG2 G2 1.05 ambi=2 { CG2:23 } atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } ::sumAvg: 4.135 atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 241 24V-HG1 G1 0.86 ambi=2 { CG1:21 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 241 24V-HG1 G1 0.86 ambi=2 { CG1:21 } :: atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 242 24V-HG2 G2 1.05 ambi=2 { CG2:23 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 242 24V-HG2 G2 1.05 ambi=2 { CG2:23 } ::sumAvg: 4.135 atom: 241 24V-HG1 G1 0.86 ambi=2 { CG1:21 } atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } :: atom: 242 24V-HG2 G2 1.05 ambi=2 { CG2:23 } atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } ::sumAvg: 4.305 atom: 241 24V-HG1 G1 0.86 ambi=2 { CG1:21 } atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } :: atom: 242 24V-HG2 G2 1.05 ambi=2 { CG2:23 } atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } ::sumAvg: 3.835 atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } atom: 241 24V-HG1 G1 0.86 ambi=2 { CG1:21 } :: atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } atom: 242 24V-HG2 G2 1.05 ambi=2 { CG2:23 } ::sumAvg: 3.835 atom: 282 28E-HG2 G 2.28 ambi=2 { CG:34.2 } atom: 241 24V-HG1 G1 0.86 ambi=2 { CG1:21 } :: atom: 283 28E-HG3 G 2.02 ambi=2 { CG:34.2 } atom: 241 24V-HG1 G1 0.86 ambi=2 { CG1:21 } :: atom: 282 28E-HG2 G 2.28 ambi=2 { CG:34.2 } atom: 242 24V-HG2 G2 1.05 ambi=2 { CG2:23 } :: atom: 283 28E-HG3 G 2.02 ambi=2 { CG:34.2 } atom: 242 24V-HG2 G2 1.05 ambi=2 { CG2:23 } ::sumAvg: 4.42 atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } atom: 249 25Q-H N 7.42 ambi=1 { N:116.2 } ::sumAvg: 4.825 atom: 250 25Q-HA A 3.76 ambi=1 { CA:58.8 } atom: 255 25Q-HE21 E2 7.67 ambi=2 { NE2:113.7 } :: atom: 250 25Q-HA A 3.76 ambi=1 { CA:58.8 } atom: 256 25Q-HE22 E2 6.72 ambi=2 { NE2:113.7 } ::sumAvg: 4.255 atom: 250 25Q-HA A 3.76 ambi=1 { CA:58.8 } atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } :: atom: 250 25Q-HA A 3.76 ambi=1 { CA:58.8 } atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } ::sumAvg: 4.96 atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 250 25Q-HA A 3.76 ambi=1 { CA:58.8 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 250 25Q-HA A 3.76 ambi=1 { CA:58.8 } ::sumAvg: 4.96 atom: 250 25Q-HA A 3.76 ambi=1 { CA:58.8 } atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } ::sumAvg: 3.245 atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } atom: 250 25Q-HA A 3.76 ambi=1 { CA:58.8 } ::sumAvg: 2.415 atom: 282 28E-HG2 G 2.28 ambi=2 { CG:34.2 } atom: 250 25Q-HA A 3.76 ambi=1 { CA:58.8 } :: atom: 283 28E-HG3 G 2.02 ambi=2 { CG:34.2 } atom: 250 25Q-HA A 3.76 ambi=1 { CA:58.8 } ::sumAvg: 4.085 atom: 250 25Q-HA A 3.76 ambi=1 { CA:58.8 } atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } ::sumAvg: 4.14 atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } atom: 250 25Q-HA A 3.76 ambi=1 { CA:58.8 } :: atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } atom: 250 25Q-HA A 3.76 ambi=1 { CA:58.8 } ::sumAvg: 4.87 atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 250 25Q-HA A 3.76 ambi=1 { CA:58.8 } ::sumAvg: 4.84 atom: 264 26A-HA A 3.87 ambi=1 { CA:56.2 } atom: 251 25Q-HB2 B 0.53 ambi=2 { CB:26.7 } :: atom: 264 26A-HA A 3.87 ambi=1 { CA:56.2 } atom: 252 25Q-HB3 B 0.73 ambi=2 { CB:26.7 } ::sumAvg: 4.405 atom: 251 25Q-HB2 B 0.53 ambi=2 { CB:26.7 } atom: 255 25Q-HE21 E2 7.67 ambi=2 { NE2:113.7 } :: atom: 251 25Q-HB2 B 0.53 ambi=2 { CB:26.7 } atom: 256 25Q-HE22 E2 6.72 ambi=2 { NE2:113.7 } :: atom: 252 25Q-HB3 B 0.73 ambi=2 { CB:26.7 } atom: 255 25Q-HE21 E2 7.67 ambi=2 { NE2:113.7 } :: atom: 252 25Q-HB3 B 0.73 ambi=2 { CB:26.7 } atom: 256 25Q-HE22 E2 6.72 ambi=2 { NE2:113.7 } ::sumAvg: 3.71 atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } atom: 251 25Q-HB2 B 0.53 ambi=2 { CB:26.7 } :: atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } atom: 252 25Q-HB3 B 0.73 ambi=2 { CB:26.7 } ::sumAvg: 4 atom: 251 25Q-HB2 B 0.53 ambi=2 { CB:26.7 } atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } :: atom: 252 25Q-HB3 B 0.73 ambi=2 { CB:26.7 } atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } ::sumAvg: 4.895 atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 251 25Q-HB2 B 0.53 ambi=2 { CB:26.7 } :: atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 252 25Q-HB3 B 0.73 ambi=2 { CB:26.7 } ::sumAvg: 4.41 atom: 251 25Q-HB2 B 0.53 ambi=2 { CB:26.7 } atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } :: atom: 252 25Q-HB3 B 0.73 ambi=2 { CB:26.7 } atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.1 atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } atom: 251 25Q-HB2 B 0.53 ambi=2 { CB:26.7 } :: atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } atom: 252 25Q-HB3 B 0.73 ambi=2 { CB:26.7 } ::sumAvg: 4.1 atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 263 26A-H N 7.98 ambi=1 { N:119.8 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 263 26A-H N 7.98 ambi=1 { N:119.8 } ::sumAvg: 4.56 atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } atom: 263 26A-H N 7.98 ambi=1 { N:119.8 } ::sumAvg: 4.82 atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } atom: 504 46N-HD21 D2 7.62 ambi=2 { ND2:112 } :: atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } atom: 505 46N-HD22 D2 6.82 ambi=2 { ND2:112 } ::sumAvg: 4.39 atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } :: atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } ::sumAvg: 4.92 atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } :: atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } ::sumAvg: 4.92 atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } :: atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } ::sumAvg: 4.79 atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } :: atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } ::sumAvg: 4.79 atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } atom: 525 48K-H N 8.04 ambi=1 { N:126.3 } ::sumAvg: 4.615 atom: 502 46N-HB2 B 2.63 ambi=2 { CB:37.4 } atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } :: atom: 503 46N-HB3 B 3.17 ambi=2 { CB:37.4 } atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } ::sumAvg: 4.515 atom: 502 46N-HB2 B 2.63 ambi=2 { CB:37.4 } atom: 511 47L-H N 7.8 ambi=1 { N:118.1 } :: atom: 503 46N-HB3 B 3.17 ambi=2 { CB:37.4 } atom: 511 47L-H N 7.8 ambi=1 { N:118.1 } ::sumAvg: 3.99 atom: 502 46N-HB2 B 2.63 ambi=2 { CB:37.4 } atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } :: atom: 502 46N-HB2 B 2.63 ambi=2 { CB:37.4 } atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } :: atom: 503 46N-HB3 B 3.17 ambi=2 { CB:37.4 } atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } :: atom: 503 46N-HB3 B 3.17 ambi=2 { CB:37.4 } atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } ::sumAvg: 4.115 atom: 502 46N-HB2 B 2.63 ambi=2 { CB:37.4 } atom: 525 48K-H N 8.04 ambi=1 { N:126.3 } :: atom: 503 46N-HB3 B 3.17 ambi=2 { CB:37.4 } atom: 525 48K-H N 8.04 ambi=1 { N:126.3 } ::sumAvg: 4.43 atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } atom: 270 27C-H N 8.35 ambi=1 { N:114.1 } ::sumAvg: 4.48 atom: 271 27C-HA A 4.1 ambi=1 { CA:66.5 } atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } ::sumAvg: 3.525 atom: 271 27C-HA A 4.1 ambi=1 { CA:66.5 } atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } ::sumAvg: 4.25 atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 271 27C-HA A 4.1 ambi=1 { CA:66.5 } ::sumAvg: 3.445 atom: 271 27C-HA A 4.1 ambi=1 { CA:66.5 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 2.845 atom: 271 27C-HA A 4.1 ambi=1 { CA:66.5 } atom: 320 31Y-H N 8.23 ambi=1 { N:118.8 } ::sumAvg: 3.925 atom: 271 27C-HA A 4.1 ambi=1 { CA:66.5 } atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } :: atom: 271 27C-HA A 4.1 ambi=1 { CA:66.5 } atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } ::sumAvg: 3.745 atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } ::sumAvg: 2.52 atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 279 28E-HA A 4.48 ambi=1 { CA:57.9 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 279 28E-HA A 4.48 ambi=1 { CA:57.9 } ::sumAvg: 4.325 atom: 279 28E-HA A 4.48 ambi=1 { CA:57.9 } atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } :: atom: 279 28E-HA A 4.48 ambi=1 { CA:57.9 } atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } ::sumAvg: 4.325 atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } ::sumAvg: 4.3 atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } :: atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } ::sumAvg: 4.3 atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } ::sumAvg: 4.93 atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 4.945 atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } :: atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } ::sumAvg: 4.33 atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } :: atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } :: atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } :: atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } ::sumAvg: 4.33 atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } ::sumAvg: 4.13 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } :: atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } ::sumAvg: 4.13 atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } :: atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } ::sumAvg: 4.255 atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } :: atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } :: atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } :: atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } ::sumAvg: 4.255 atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } :: atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } ::sumAvg: 4 atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } :: atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } :: atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } ::sumAvg: 4.795 atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } :: atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } atom: 272 27C-HB2 B 3.18 ambi=2 { CB:26.8 } :: atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } :: atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } atom: 273 27C-HB3 B 2.94 ambi=2 { CB:26.8 } ::sumAvg: 4.795 atom: 279 28E-HA A 4.48 ambi=1 { CA:57.9 } atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } ::sumAvg: 2.79 atom: 282 28E-HG2 G 2.28 ambi=2 { CG:34.2 } atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } :: atom: 283 28E-HG3 G 2.02 ambi=2 { CG:34.2 } atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } ::sumAvg: 3.38 atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } :: atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } atom: 278 28E-H N 7.17 ambi=1 { N:116.6 } ::sumAvg: 4.745 atom: 279 28E-HA A 4.48 ambi=1 { CA:57.9 } atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } ::sumAvg: 4.725 atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } atom: 279 28E-HA A 4.48 ambi=1 { CA:57.9 } ::sumAvg: 4.725 atom: 279 28E-HA A 4.48 ambi=1 { CA:57.9 } atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } ::sumAvg: 4.695 atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } atom: 279 28E-HA A 4.48 ambi=1 { CA:57.9 } :: atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } atom: 279 28E-HA A 4.48 ambi=1 { CA:57.9 } ::sumAvg: 2.735 atom: 279 28E-HA A 4.48 ambi=1 { CA:57.9 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } ::sumAvg: 3.98 atom: 279 28E-HA A 4.48 ambi=1 { CA:57.9 } atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } ::sumAvg: 4.31 atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } ::sumAvg: 2.64 atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } ::sumAvg: 4.105 atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.655 atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } ::sumAvg: 4.655 atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } ::sumAvg: 4.84 atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } :: atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } ::sumAvg: 4.535 atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } :: atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } atom: 280 28E-QB B 1.82 ambi=2 { CB:28.8 } ::sumAvg: 4.535 atom: 282 28E-HG2 G 2.28 ambi=2 { CG:34.2 } atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } :: atom: 283 28E-HG3 G 2.02 ambi=2 { CG:34.2 } atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } ::sumAvg: 4.09 atom: 282 28E-HG2 G 2.28 ambi=2 { CG:34.2 } atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } :: atom: 283 28E-HG3 G 2.02 ambi=2 { CG:34.2 } atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } ::sumAvg: 4.92 atom: 282 28E-HG2 G 2.28 ambi=2 { CG:34.2 } atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } :: atom: 282 28E-HG2 G 2.28 ambi=2 { CG:34.2 } atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } :: atom: 283 28E-HG3 G 2.02 ambi=2 { CG:34.2 } atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } :: atom: 283 28E-HG3 G 2.02 ambi=2 { CG:34.2 } atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } ::sumAvg: 4.94 atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } atom: 282 28E-HG2 G 2.28 ambi=2 { CG:34.2 } :: atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } atom: 282 28E-HG2 G 2.28 ambi=2 { CG:34.2 } :: atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } atom: 283 28E-HG3 G 2.02 ambi=2 { CG:34.2 } :: atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } atom: 283 28E-HG3 G 2.02 ambi=2 { CG:34.2 } ::sumAvg: 4.94 atom: 282 28E-HG2 G 2.28 ambi=2 { CG:34.2 } atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } :: atom: 282 28E-HG2 G 2.28 ambi=2 { CG:34.2 } atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } :: atom: 283 28E-HG3 G 2.02 ambi=2 { CG:34.2 } atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } :: atom: 283 28E-HG3 G 2.02 ambi=2 { CG:34.2 } atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } ::sumAvg: 4.59 atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } atom: 282 28E-HG2 G 2.28 ambi=2 { CG:34.2 } :: atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } atom: 282 28E-HG2 G 2.28 ambi=2 { CG:34.2 } :: atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } atom: 283 28E-HG3 G 2.02 ambi=2 { CG:34.2 } :: atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } atom: 283 28E-HG3 G 2.02 ambi=2 { CG:34.2 } ::sumAvg: 4.59 atom: 282 28E-HG2 G 2.28 ambi=2 { CG:34.2 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } :: atom: 283 28E-HG3 G 2.02 ambi=2 { CG:34.2 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } ::sumAvg: 4.75 atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } ::sumAvg: 3.345 atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } ::sumAvg: 4.745 atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } :: atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } atom: 289 29K-H N 7.81 ambi=1 { N:118.9 } ::sumAvg: 4.85 atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 2.95 atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } ::sumAvg: 2.95 atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.23 atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } ::sumAvg: 4.23 atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } ::sumAvg: 3.545 atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } :: atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } ::sumAvg: 4.84 atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } :: atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } ::sumAvg: 3.105 atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } atom: 338 32K-HG2 G 1.3 ambi=2 { CG:25 } :: atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } atom: 339 32K-HG3 G 1.2 ambi=2 { CG:25 } ::sumAvg: 4.755 atom: 338 32K-HG2 G 1.3 ambi=2 { CG:25 } atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } :: atom: 339 32K-HG3 G 1.2 ambi=2 { CG:25 } atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } ::sumAvg: 4.755 atom: 340 32K-HD2 D 1.26 ambi=2 { CD:28.4 } atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } :: atom: 341 32K-HD3 D 1.4 ambi=2 { CD:28.4 } atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } ::sumAvg: 4.18 atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } atom: 351 33A-H N 8.37 ambi=1 { N:121.2 } ::sumAvg: 4.395 atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } atom: 290 29K-HA A 4.05 ambi=1 { CA:58 } ::sumAvg: 4.995 atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } :: atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } :: atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } :: atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } ::sumAvg: 2.41 atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } :: atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 3.995 atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } ::sumAvg: 3.995 atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } :: atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } ::sumAvg: 2.74 atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } :: atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } ::sumAvg: 4.16 atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } ::sumAvg: 4.16 atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } :: atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } ::sumAvg: 4.355 atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } ::sumAvg: 4.355 atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } :: atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } :: atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } :: atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } ::sumAvg: 4.75 atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 291 29K-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } :: atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 292 29K-HB3 B 1.87 ambi=2 { CB:31.6 } ::sumAvg: 4.75 atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } :: atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 2.37 atom: 293 29K-HG2 G 1.46 ambi=2 { CG:26.4 } atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } :: atom: 294 29K-HG3 G 1.37 ambi=2 { CG:26.4 } atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } ::sumAvg: 4.765 atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 2.06 atom: 297 29K-QE E 2.93 ambi=2 { CE:41.8 } atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 2.06 atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } ::sumAvg: 4.845 atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 4.225 atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 339 32K-HG3 G 1.2 ambi=2 { CG:25 } ::sumAvg: 4.87 atom: 339 32K-HG3 G 1.2 ambi=2 { CG:25 } atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 4.87 atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } atom: 342 32K-QE E 2.76 ambi=2 { CE:41.9 } ::sumAvg: 4.85 atom: 342 32K-QE E 2.76 ambi=2 { CE:41.9 } atom: 295 29K-QD D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 4.85 atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } ::sumAvg: 2.44 atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } :: atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } ::sumAvg: 4.7 atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } atom: 306 30Y-H N 9.08 ambi=1 { N:120.5 } ::sumAvg: 4.52 atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } ::sumAvg: 2.3 atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 2.915 atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } atom: 320 31Y-H N 8.23 ambi=1 { N:118.8 } ::sumAvg: 3.44 atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } ::sumAvg: 4.225 atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } :: atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } ::sumAvg: 4.92 atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } ::sumAvg: 4 atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } ::sumAvg: 4.885 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 307 30Y-HA A 4.29 ambi=1 { CA:62 } ::sumAvg: 4.885 atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 321 31Y-HA A 4.07 ambi=1 { CA:62.3 } ::sumAvg: 4.33 atom: 321 31Y-HA A 4.07 ambi=1 { CA:62.3 } atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } ::sumAvg: 4.33 atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } ::sumAvg: 4.825 atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } ::sumAvg: 4.71 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } ::sumAvg: 4.71 atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } ::sumAvg: 4.39 atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } ::sumAvg: 4.39 atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } ::sumAvg: 4.47 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } ::sumAvg: 4.47 atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } ::sumAvg: 3.945 atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } ::sumAvg: 3.945 atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } :: atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } ::sumAvg: 4.84 atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } :: atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } ::sumAvg: 4.84 atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } ::sumAvg: 4.895 atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } ::sumAvg: 4.895 atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } ::sumAvg: 4.16 atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } ::sumAvg: 4.16 atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 1311 111V-HG1 G1 0.93 ambi=2 { CG1:23 } :: atom: 308 30Y-QB B 3.05 ambi=2 { CB:38.8 } atom: 1312 111V-HG2 G2 1.37 ambi=2 { CG2:22.5 } ::sumAvg: 3.525 atom: 321 31Y-HA A 4.07 ambi=1 { CA:62.3 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 4.39 atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 3.67 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 4.31 atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 4.45 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 4.41 atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } :: atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 3.635 atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } :: atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 4.7 atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 3.68 atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } :: atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 4.005 atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } atom: 310 30Y-QD D 7.02 ambi=3 { CD1:132.2 } ::sumAvg: 4.36 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } ::sumAvg: 4.565 atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } ::sumAvg: 4.57 atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } :: atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } ::sumAvg: 3.66 atom: 1260 107L-HB2 B 1.84 ambi=2 { CB:42.2 } atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } :: atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } ::sumAvg: 4.335 atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } :: atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } ::sumAvg: 4.695 atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } ::sumAvg: 3.375 atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } :: atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } ::sumAvg: 3.175 atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } ::sumAvg: 3.6 atom: 1278 108K-HD2 D 1.84 ambi=2 { CD:28.8 } atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } :: atom: 1279 108K-HD3 D 1.28 ambi=2 { CD:28.8 } atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } ::sumAvg: 4.89 atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } atom: 312 30Y-QE E 6.78 ambi=3 { CE1:117.5 } ::sumAvg: 3.765 atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } atom: 320 31Y-H N 8.23 ambi=1 { N:118.8 } :: atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 320 31Y-H N 8.23 ambi=1 { N:118.8 } ::sumAvg: 4.735 atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } atom: 320 31Y-H N 8.23 ambi=1 { N:118.8 } ::sumAvg: 4.54 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 320 31Y-H N 8.23 ambi=1 { N:118.8 } ::sumAvg: 4.79 atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } atom: 320 31Y-H N 8.23 ambi=1 { N:118.8 } ::sumAvg: 4.705 atom: 321 31Y-HA A 4.07 ambi=1 { CA:62.3 } atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } ::sumAvg: 4.66 atom: 321 31Y-HA A 4.07 ambi=1 { CA:62.3 } atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } ::sumAvg: 3.54 atom: 321 31Y-HA A 4.07 ambi=1 { CA:62.3 } atom: 351 33A-H N 8.37 ambi=1 { N:121.2 } ::sumAvg: 4.305 atom: 321 31Y-HA A 4.07 ambi=1 { CA:62.3 } atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } ::sumAvg: 4.73 atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } atom: 321 31Y-HA A 4.07 ambi=1 { CA:62.3 } ::sumAvg: 4.73 atom: 321 31Y-HA A 4.07 ambi=1 { CA:62.3 } atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } ::sumAvg: 4.245 atom: 321 31Y-HA A 4.07 ambi=1 { CA:62.3 } atom: 1311 111V-HG1 G1 0.93 ambi=2 { CG1:23 } :: atom: 321 31Y-HA A 4.07 ambi=1 { CA:62.3 } atom: 1312 111V-HG2 G2 1.37 ambi=2 { CG2:22.5 } ::sumAvg: 3.92 atom: 1311 111V-HG1 G1 0.93 ambi=2 { CG1:23 } atom: 321 31Y-HA A 4.07 ambi=1 { CA:62.3 } :: atom: 1312 111V-HG2 G2 1.37 ambi=2 { CG2:22.5 } atom: 321 31Y-HA A 4.07 ambi=1 { CA:62.3 } ::sumAvg: 3.92 atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } :: atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } ::sumAvg: 4.415 atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } :: atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } ::sumAvg: 2.48 atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } :: atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } ::sumAvg: 4.375 atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } :: atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } ::sumAvg: 4.375 atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } :: atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } :: atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } :: atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } ::sumAvg: 4.55 atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } :: atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } :: atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } :: atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } ::sumAvg: 4.55 atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } atom: 338 32K-HG2 G 1.3 ambi=2 { CG:25 } :: atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } atom: 339 32K-HG3 G 1.2 ambi=2 { CG:25 } :: atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } atom: 338 32K-HG2 G 1.3 ambi=2 { CG:25 } :: atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } atom: 339 32K-HG3 G 1.2 ambi=2 { CG:25 } ::sumAvg: 4.765 atom: 338 32K-HG2 G 1.3 ambi=2 { CG:25 } atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } :: atom: 339 32K-HG3 G 1.2 ambi=2 { CG:25 } atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } :: atom: 338 32K-HG2 G 1.3 ambi=2 { CG:25 } atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } :: atom: 339 32K-HG3 G 1.2 ambi=2 { CG:25 } atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } ::sumAvg: 4.765 atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } atom: 351 33A-H N 8.37 ambi=1 { N:121.2 } :: atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } atom: 351 33A-H N 8.37 ambi=1 { N:121.2 } ::sumAvg: 4.825 atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } :: atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } ::sumAvg: 4.835 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } :: atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } ::sumAvg: 4.835 atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } :: atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } ::sumAvg: 4.9 atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } :: atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } ::sumAvg: 4.9 atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } :: atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } ::sumAvg: 3.835 atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } :: atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } ::sumAvg: 3.835 atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } :: atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } ::sumAvg: 4.83 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } :: atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } ::sumAvg: 4.83 atom: 1060 90H-HB2 B 2.59 ambi=2 { CB:27.8 } atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } :: atom: 1061 90H-HB3 B 2.06 ambi=2 { CB:27.8 } atom: 322 31Y-HB2 B 3.14 ambi=2 { CB:37.3 } :: atom: 1061 90H-HB3 B 2.06 ambi=2 { CB:27.8 } atom: 323 31Y-HB3 B 2.98 ambi=2 { CB:37.3 } ::sumAvg: 4.12 atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } ::sumAvg: 3.485 atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } :: atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } ::sumAvg: 4.55 atom: 338 32K-HG2 G 1.3 ambi=2 { CG:25 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } :: atom: 339 32K-HG3 G 1.2 ambi=2 { CG:25 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } ::sumAvg: 3.76 atom: 340 32K-HD2 D 1.26 ambi=2 { CD:28.4 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } :: atom: 341 32K-HD3 D 1.4 ambi=2 { CD:28.4 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } ::sumAvg: 4.465 atom: 342 32K-QE E 2.76 ambi=2 { CE:41.9 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } ::sumAvg: 4.85 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } ::sumAvg: 4.095 atom: 367 35E-HB2 B 1.86 ambi=2 { CB:29.6 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } :: atom: 368 35E-HB3 B 1.88 ambi=2 { CB:29.6 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } ::sumAvg: 4.525 atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } ::sumAvg: 4.17 atom: 1016 87W-HA A 4.03 ambi=1 { CA:59.6 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } ::sumAvg: 4.025 atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } :: atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } ::sumAvg: 4.665 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } ::sumAvg: 4.73 atom: 1060 90H-HB2 B 2.59 ambi=2 { CB:27.8 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } :: atom: 1061 90H-HB3 B 2.06 ambi=2 { CB:27.8 } atom: 324 31Y-QD D 6.75 ambi=3 { CD1:132.3 } ::sumAvg: 3.895 atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } ::sumAvg: 4.605 atom: 367 35E-HB2 B 1.86 ambi=2 { CB:29.6 } atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } :: atom: 368 35E-HB3 B 1.88 ambi=2 { CB:29.6 } atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } ::sumAvg: 4.61 atom: 369 35E-HG2 G 2.06 ambi=2 { CG:36 } atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } :: atom: 370 35E-HG3 G 1.81 ambi=2 { CG:36 } atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } ::sumAvg: 4.795 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } ::sumAvg: 4.61 atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } ::sumAvg: 4.155 atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } ::sumAvg: 4.58 atom: 1060 90H-HB2 B 2.59 ambi=2 { CB:27.8 } atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } :: atom: 1061 90H-HB3 B 2.06 ambi=2 { CB:27.8 } atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } ::sumAvg: 3.375 atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } :: atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } atom: 326 31Y-QE E 6.52 ambi=3 { CE1:118 } ::sumAvg: 4.705 atom: 340 32K-HD2 D 1.26 ambi=2 { CD:28.4 } atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } :: atom: 341 32K-HD3 D 1.4 ambi=2 { CD:28.4 } atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } ::sumAvg: 4.25 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 334 32K-H N 8.11 ambi=1 { N:118.9 } ::sumAvg: 4.855 atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } atom: 342 32K-QE E 2.76 ambi=2 { CE:41.9 } ::sumAvg: 3.945 atom: 342 32K-QE E 2.76 ambi=2 { CE:41.9 } atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } ::sumAvg: 3.945 atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } atom: 352 33A-HA A 4.17 ambi=1 { CA:56 } ::sumAvg: 4.8 atom: 352 33A-HA A 4.17 ambi=1 { CA:56 } atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } ::sumAvg: 4.8 atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } ::sumAvg: 4.98 atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } ::sumAvg: 4.33 atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } ::sumAvg: 4.74 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } ::sumAvg: 4.74 atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } ::sumAvg: 3.205 atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } atom: 367 35E-HB2 B 1.86 ambi=2 { CB:29.6 } :: atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } atom: 368 35E-HB3 B 1.88 ambi=2 { CB:29.6 } ::sumAvg: 3.23 atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } atom: 369 35E-HG2 G 2.06 ambi=2 { CG:36 } :: atom: 335 32K-HA A 3.71 ambi=1 { CA:58.6 } atom: 370 35E-HG3 G 1.81 ambi=2 { CG:36 } ::sumAvg: 3.42 atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } atom: 342 32K-QE E 2.76 ambi=2 { CE:41.9 } :: atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 342 32K-QE E 2.76 ambi=2 { CE:41.9 } ::sumAvg: 2.985 atom: 342 32K-QE E 2.76 ambi=2 { CE:41.9 } atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } :: atom: 342 32K-QE E 2.76 ambi=2 { CE:41.9 } atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } ::sumAvg: 2.985 atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } atom: 352 33A-HA A 4.17 ambi=1 { CA:56 } :: atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 352 33A-HA A 4.17 ambi=1 { CA:56 } ::sumAvg: 4.42 atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } :: atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } ::sumAvg: 4.245 atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } :: atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } :: atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } :: atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } ::sumAvg: 4.955 atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } :: atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } :: atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } :: atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } ::sumAvg: 4.955 atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } :: atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } :: atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } :: atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } ::sumAvg: 4.71 atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } :: atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } atom: 336 32K-HB2 B 1.41 ambi=2 { CB:31 } :: atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } :: atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } atom: 337 32K-HB3 B 1.03 ambi=2 { CB:31 } ::sumAvg: 4.71 atom: 342 32K-QE E 2.76 ambi=2 { CE:41.9 } atom: 338 32K-HG2 G 1.3 ambi=2 { CG:25 } :: atom: 342 32K-QE E 2.76 ambi=2 { CE:41.9 } atom: 339 32K-HG3 G 1.2 ambi=2 { CG:25 } ::sumAvg: 2.335 atom: 338 32K-HG2 G 1.3 ambi=2 { CG:25 } atom: 351 33A-H N 8.37 ambi=1 { N:121.2 } :: atom: 339 32K-HG3 G 1.2 ambi=2 { CG:25 } atom: 351 33A-H N 8.37 ambi=1 { N:121.2 } ::sumAvg: 4.255 atom: 342 32K-QE E 2.76 ambi=2 { CE:41.9 } atom: 340 32K-HD2 D 1.26 ambi=2 { CD:28.4 } :: atom: 342 32K-QE E 2.76 ambi=2 { CE:41.9 } atom: 341 32K-HD3 D 1.4 ambi=2 { CD:28.4 } ::sumAvg: 2.265 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 351 33A-H N 8.37 ambi=1 { N:121.2 } ::sumAvg: 4.32 atom: 352 33A-HA A 4.17 ambi=1 { CA:56 } atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } ::sumAvg: 4.445 atom: 352 33A-HA A 4.17 ambi=1 { CA:56 } atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } :: atom: 352 33A-HA A 4.17 ambi=1 { CA:56 } atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } ::sumAvg: 3.775 atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } atom: 352 33A-HA A 4.17 ambi=1 { CA:56 } :: atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } atom: 352 33A-HA A 4.17 ambi=1 { CA:56 } ::sumAvg: 3.775 atom: 352 33A-HA A 4.17 ambi=1 { CA:56 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } ::sumAvg: 4.27 atom: 352 33A-HA A 4.17 ambi=1 { CA:56 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 4.75 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 352 33A-HA A 4.17 ambi=1 { CA:56 } ::sumAvg: 4.75 atom: 352 33A-HA A 4.17 ambi=1 { CA:56 } atom: 1367 115V-HG1 G1 0.92 ambi=2 { CG1:23.4 } :: atom: 352 33A-HA A 4.17 ambi=1 { CA:56 } atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } ::sumAvg: 4.19 atom: 1367 115V-HG1 G1 0.92 ambi=2 { CG1:23.4 } atom: 352 33A-HA A 4.17 ambi=1 { CA:56 } :: atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } atom: 352 33A-HA A 4.17 ambi=1 { CA:56 } ::sumAvg: 4.19 atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } ::sumAvg: 3.83 atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } ::sumAvg: 3.83 atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } ::sumAvg: 4.49 atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } ::sumAvg: 4.735 atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } ::sumAvg: 4.485 atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } atom: 353 33A-HB B 1.81 ambi=1 { CB:18.2 } ::sumAvg: 4.485 atom: 367 35E-HB2 B 1.86 ambi=2 { CB:29.6 } atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } :: atom: 368 35E-HB3 B 1.88 ambi=2 { CB:29.6 } atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } ::sumAvg: 4.9 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } ::sumAvg: 4.61 atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } ::sumAvg: 4.345 atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } :: atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } ::sumAvg: 4.835 atom: 1367 115V-HG1 G1 0.92 ambi=2 { CG1:23.4 } atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } :: atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } atom: 358 34A-H N 7.97 ambi=1 { N:119.3 } ::sumAvg: 4.8 atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } ::sumAvg: 3.54 atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } atom: 376 36E-H N 8.37 ambi=1 { N:115.9 } ::sumAvg: 4.455 atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } ::sumAvg: 3.435 atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } ::sumAvg: 4.135 atom: 397 38I-HG12 G1 0.87 ambi=2 { CG1:27.4 } atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } :: atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } ::sumAvg: 4.14 atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } ::sumAvg: 4.8 atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } ::sumAvg: 4.8 atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } ::sumAvg: 4.815 atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } ::sumAvg: 4.815 atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } ::sumAvg: 4.825 atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } ::sumAvg: 4.825 atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } atom: 1311 111V-HG1 G1 0.93 ambi=2 { CG1:23 } :: atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } atom: 1312 111V-HG2 G2 1.37 ambi=2 { CG2:22.5 } ::sumAvg: 2.84 atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } atom: 1352 114L-HB2 B 2 ambi=2 { CB:42.3 } :: atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } atom: 1353 114L-HB3 B 1.86 ambi=2 { CB:42.3 } ::sumAvg: 3.65 atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } atom: 1354 114L-HG G 1.77 ambi=1 { CG:27.1 } ::sumAvg: 4.725 atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } atom: 1367 115V-HG1 G1 0.92 ambi=2 { CG1:23.4 } :: atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } ::sumAvg: 4.055 atom: 1367 115V-HG1 G1 0.92 ambi=2 { CG1:23.4 } atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } :: atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } atom: 359 34A-HA A 3.99 ambi=1 { CA:54.9 } ::sumAvg: 4.055 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } ::sumAvg: 3.84 atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } ::sumAvg: 3.84 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 376 36E-H N 8.37 ambi=1 { N:115.9 } ::sumAvg: 4.525 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } ::sumAvg: 4.525 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } ::sumAvg: 4.67 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 397 38I-HG12 G1 0.87 ambi=2 { CG1:27.4 } ::sumAvg: 3.95 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } ::sumAvg: 3.865 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } ::sumAvg: 4.785 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } ::sumAvg: 3.44 atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } ::sumAvg: 3.44 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } ::sumAvg: 3.825 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } ::sumAvg: 3.825 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } ::sumAvg: 4.695 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 1008 86A-H N 7.43 ambi=1 { N:123.6 } ::sumAvg: 4.5 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } ::sumAvg: 4.71 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } ::sumAvg: 3.89 atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } ::sumAvg: 3.89 atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } ::sumAvg: 4.68 atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } atom: 360 34A-HB B 1.67 ambi=1 { CB:20.3 } ::sumAvg: 4.68 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } ::sumAvg: 4.745 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } ::sumAvg: 4.665 atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } atom: 365 35E-H N 8.92 ambi=1 { N:119.1 } ::sumAvg: 4.895 atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } atom: 376 36E-H N 8.37 ambi=1 { N:115.9 } ::sumAvg: 3.51 atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } ::sumAvg: 4.385 atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 4.91 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } ::sumAvg: 4.91 atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } ::sumAvg: 3.565 atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } atom: 396 38I-HB B 1.92 ambi=1 { CB:34.4 } ::sumAvg: 2.915 atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } atom: 397 38I-HG12 G1 0.87 ambi=2 { CG1:27.4 } :: atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } ::sumAvg: 3.775 atom: 397 38I-HG12 G1 0.87 ambi=2 { CG1:27.4 } atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } :: atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } ::sumAvg: 3.775 atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } ::sumAvg: 4.25 atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } ::sumAvg: 4.25 atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } ::sumAvg: 3.87 atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } ::sumAvg: 4.11 atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } :: atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } ::sumAvg: 4.435 atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 2.725 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 366 35E-HA A 3.67 ambi=1 { CA:59.9 } ::sumAvg: 2.725 atom: 367 35E-HB2 B 1.86 ambi=2 { CB:29.6 } atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } :: atom: 368 35E-HB3 B 1.88 ambi=2 { CB:29.6 } atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } ::sumAvg: 4.485 atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } atom: 367 35E-HB2 B 1.86 ambi=2 { CB:29.6 } :: atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } atom: 367 35E-HB2 B 1.86 ambi=2 { CB:29.6 } :: atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } atom: 368 35E-HB3 B 1.88 ambi=2 { CB:29.6 } ::sumAvg: 4.985 atom: 367 35E-HB2 B 1.86 ambi=2 { CB:29.6 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 367 35E-HB2 B 1.86 ambi=2 { CB:29.6 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } :: atom: 368 35E-HB3 B 1.88 ambi=2 { CB:29.6 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 368 35E-HB3 B 1.88 ambi=2 { CB:29.6 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 3.005 atom: 369 35E-HG2 G 2.06 ambi=2 { CG:36 } atom: 376 36E-H N 8.37 ambi=1 { N:115.9 } :: atom: 370 35E-HG3 G 1.81 ambi=2 { CG:36 } atom: 376 36E-H N 8.37 ambi=1 { N:115.9 } ::sumAvg: 3.49 atom: 369 35E-HG2 G 2.06 ambi=2 { CG:36 } atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } :: atom: 370 35E-HG3 G 1.81 ambi=2 { CG:36 } atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } ::sumAvg: 4.905 atom: 369 35E-HG2 G 2.06 ambi=2 { CG:36 } atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } :: atom: 370 35E-HG3 G 1.81 ambi=2 { CG:36 } atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } ::sumAvg: 4.66 atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } atom: 369 35E-HG2 G 2.06 ambi=2 { CG:36 } :: atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } atom: 370 35E-HG3 G 1.81 ambi=2 { CG:36 } ::sumAvg: 4.66 atom: 369 35E-HG2 G 2.06 ambi=2 { CG:36 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 369 35E-HG2 G 2.06 ambi=2 { CG:36 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } :: atom: 370 35E-HG3 G 1.81 ambi=2 { CG:36 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 370 35E-HG3 G 1.81 ambi=2 { CG:36 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } ::sumAvg: 4.86 atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 369 35E-HG2 G 2.06 ambi=2 { CG:36 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 369 35E-HG2 G 2.06 ambi=2 { CG:36 } :: atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 370 35E-HG3 G 1.81 ambi=2 { CG:36 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 370 35E-HG3 G 1.81 ambi=2 { CG:36 } ::sumAvg: 4.86 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 376 36E-H N 8.37 ambi=1 { N:115.9 } ::sumAvg: 4.265 atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } :: atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } ::sumAvg: 3.015 atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } ::sumAvg: 3.51 atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } ::sumAvg: 4.355 atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } ::sumAvg: 3.445 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } ::sumAvg: 3.14 atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } :: atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } ::sumAvg: 3.495 atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } :: atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } ::sumAvg: 3.495 atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } atom: 414 39K-HD2 D 1.64 ambi=2 { CD:28.8 } :: atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } atom: 415 39K-HD3 D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 3.485 atom: 414 39K-HD2 D 1.64 ambi=2 { CD:28.8 } atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } :: atom: 415 39K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } ::sumAvg: 3.485 atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } ::sumAvg: 3.865 atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } ::sumAvg: 3.865 atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } atom: 425 40L-H N 7.89 ambi=1 { N:118 } ::sumAvg: 4.175 atom: 429 40L-HG G 1.78 ambi=1 { CG:26.7 } atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } ::sumAvg: 4.25 atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } :: atom: 377 36E-HA A 3.79 ambi=1 { CA:58.1 } atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } ::sumAvg: 4.625 atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } :: atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } ::sumAvg: 2.345 atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } :: atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } ::sumAvg: 2.71 atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } atom: 388 37A-HA A 3.87 ambi=1 { CA:55.4 } :: atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } atom: 388 37A-HA A 3.87 ambi=1 { CA:55.4 } ::sumAvg: 4.315 atom: 388 37A-HA A 3.87 ambi=1 { CA:55.4 } atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } :: atom: 388 37A-HA A 3.87 ambi=1 { CA:55.4 } atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } ::sumAvg: 4.315 atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } :: atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 4.1 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } :: atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } ::sumAvg: 4.1 atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } :: atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } ::sumAvg: 4.93 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } :: atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } ::sumAvg: 4.93 atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } :: atom: 378 36E-HB2 B 2.17 ambi=2 { CB:28.6 } atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } :: atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } :: atom: 379 36E-HB3 B 2.05 ambi=2 { CB:28.6 } atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } ::sumAvg: 3.65 atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } :: atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } ::sumAvg: 4.36 atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } :: atom: 380 36E-HG2 G 2.66 ambi=2 { CG:36.8 } atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } :: atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } :: atom: 381 36E-HG3 G 2.27 ambi=2 { CG:36.8 } atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } ::sumAvg: 4.25 atom: 396 38I-HB B 1.92 ambi=1 { CB:34.4 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } ::sumAvg: 4.84 atom: 397 38I-HG12 G1 0.87 ambi=2 { CG1:27.4 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } :: atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } ::sumAvg: 4.43 atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } :: atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } ::sumAvg: 4.51 atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } :: atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } atom: 387 37A-H N 8.44 ambi=1 { N:123.7 } ::sumAvg: 4.87 atom: 388 37A-HA A 3.87 ambi=1 { CA:55.4 } atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } ::sumAvg: 3.55 atom: 388 37A-HA A 3.87 ambi=1 { CA:55.4 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } ::sumAvg: 4.61 atom: 388 37A-HA A 3.87 ambi=1 { CA:55.4 } atom: 429 40L-HG G 1.78 ambi=1 { CG:26.7 } ::sumAvg: 3.79 atom: 429 40L-HG G 1.78 ambi=1 { CG:26.7 } atom: 388 37A-HA A 3.87 ambi=1 { CA:55.4 } ::sumAvg: 3.79 atom: 388 37A-HA A 3.87 ambi=1 { CA:55.4 } atom: 439 41L-H N 8.13 ambi=1 { N:119.5 } ::sumAvg: 4.45 atom: 443 41L-HG G 1.83 ambi=1 { CG:27.7 } atom: 388 37A-HA A 3.87 ambi=1 { CA:55.4 } ::sumAvg: 4.525 atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 388 37A-HA A 3.87 ambi=1 { CA:55.4 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 388 37A-HA A 3.87 ambi=1 { CA:55.4 } ::sumAvg: 4.695 atom: 388 37A-HA A 3.87 ambi=1 { CA:55.4 } atom: 1365 115V-HA A 3.33 ambi=1 { CA:67.4 } ::sumAvg: 4.2 atom: 1365 115V-HA A 3.33 ambi=1 { CA:67.4 } atom: 388 37A-HA A 3.87 ambi=1 { CA:55.4 } ::sumAvg: 4.2 atom: 1367 115V-HG1 G1 0.92 ambi=2 { CG1:23.4 } atom: 388 37A-HA A 3.87 ambi=1 { CA:55.4 } :: atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } atom: 388 37A-HA A 3.87 ambi=1 { CA:55.4 } ::sumAvg: 4.81 atom: 388 37A-HA A 3.87 ambi=1 { CA:55.4 } atom: 1403 118A-H N 8.37 ambi=1 { N:122.9 } ::sumAvg: 4.685 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } ::sumAvg: 3.84 atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 3.84 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 396 38I-HB B 1.92 ambi=1 { CB:34.4 } ::sumAvg: 4.54 atom: 396 38I-HB B 1.92 ambi=1 { CB:34.4 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 4.54 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 397 38I-HG12 G1 0.87 ambi=2 { CG1:27.4 } ::sumAvg: 3.195 atom: 397 38I-HG12 G1 0.87 ambi=2 { CG1:27.4 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 3.195 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } ::sumAvg: 4.965 atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 4.965 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } ::sumAvg: 3.86 atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 3.86 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } ::sumAvg: 4.585 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 425 40L-H N 7.89 ambi=1 { N:118 } ::sumAvg: 4.66 atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } :: atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 3.825 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 439 41L-H N 8.13 ambi=1 { N:119.5 } ::sumAvg: 4.795 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } ::sumAvg: 4.89 atom: 1351 114L-HA A 3.99 ambi=1 { CA:58.1 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 3.96 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 1352 114L-HB2 B 2 ambi=2 { CB:42.3 } ::sumAvg: 2.955 atom: 1352 114L-HB2 B 2 ambi=2 { CB:42.3 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 2.955 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 1366 115V-HB B 2.04 ambi=1 { CB:31.5 } ::sumAvg: 4.745 atom: 1366 115V-HB B 2.04 ambi=1 { CB:31.5 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 4.745 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 1389 117F-H N 8.13 ambi=1 { N:119.6 } ::sumAvg: 4.765 atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } :: atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 3.835 atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } atom: 1403 118A-H N 8.37 ambi=1 { N:122.9 } ::sumAvg: 3.685 atom: 1404 118A-HA A 4 ambi=1 { CA:55.4 } atom: 389 37A-HB B 1.52 ambi=1 { CB:18.7 } ::sumAvg: 4.595 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } ::sumAvg: 4.61 atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } ::sumAvg: 4.235 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } ::sumAvg: 4.245 atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } :: atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } ::sumAvg: 4.26 atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } atom: 394 38I-H N 8.21 ambi=1 { N:117.3 } ::sumAvg: 4.9 atom: 397 38I-HG12 G1 0.87 ambi=2 { CG1:27.4 } atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } :: atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } ::sumAvg: 2.78 atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } ::sumAvg: 3.54 atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } atom: 425 40L-H N 7.89 ambi=1 { N:118 } ::sumAvg: 4.265 atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } :: atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } ::sumAvg: 2.53 atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } atom: 443 41L-HG G 1.83 ambi=1 { CG:27.7 } ::sumAvg: 3.59 atom: 443 41L-HG G 1.83 ambi=1 { CG:27.7 } atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } ::sumAvg: 3.59 atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } ::sumAvg: 4.11 atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 3.955 atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 4.81 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } ::sumAvg: 4.81 atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 4.915 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 395 38I-HA A 3.6 ambi=1 { CA:62.2 } ::sumAvg: 4.915 atom: 396 38I-HB B 1.92 ambi=1 { CB:34.4 } atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } ::sumAvg: 4.385 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 396 38I-HB B 1.92 ambi=1 { CB:34.4 } ::sumAvg: 4.385 atom: 396 38I-HB B 1.92 ambi=1 { CB:34.4 } atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } ::sumAvg: 4.415 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 396 38I-HB B 1.92 ambi=1 { CB:34.4 } ::sumAvg: 4.415 atom: 396 38I-HB B 1.92 ambi=1 { CB:34.4 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 396 38I-HB B 1.92 ambi=1 { CB:34.4 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 4.47 atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } atom: 396 38I-HB B 1.92 ambi=1 { CB:34.4 } :: atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } atom: 396 38I-HB B 1.92 ambi=1 { CB:34.4 } ::sumAvg: 4.47 atom: 396 38I-HB B 1.92 ambi=1 { CB:34.4 } atom: 742 65L-HA A 3.77 ambi=1 { CA:57.8 } ::sumAvg: 4.705 atom: 396 38I-HB B 1.92 ambi=1 { CB:34.4 } atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } ::sumAvg: 4.03 atom: 396 38I-HB B 1.92 ambi=1 { CB:34.4 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 4.58 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 396 38I-HB B 1.92 ambi=1 { CB:34.4 } ::sumAvg: 4.58 atom: 397 38I-HG12 G1 0.87 ambi=2 { CG1:27.4 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } :: atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } ::sumAvg: 4.32 atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 3.995 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } ::sumAvg: 3.995 atom: 397 38I-HG12 G1 0.87 ambi=2 { CG1:27.4 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 4.66 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 397 38I-HG12 G1 0.87 ambi=2 { CG1:27.4 } ::sumAvg: 4.66 atom: 397 38I-HG12 G1 0.87 ambi=2 { CG1:27.4 } atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } :: atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } ::sumAvg: 4.67 atom: 397 38I-HG12 G1 0.87 ambi=2 { CG1:27.4 } atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } :: atom: 397 38I-HG12 G1 0.87 ambi=2 { CG1:27.4 } atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } :: atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } :: atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } ::sumAvg: 3.835 atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } ::sumAvg: 4.05 atom: 397 38I-HG12 G1 0.87 ambi=2 { CG1:27.4 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } :: atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } ::sumAvg: 3.405 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 397 38I-HG12 G1 0.87 ambi=2 { CG1:27.4 } :: atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } ::sumAvg: 3.405 atom: 397 38I-HG12 G1 0.87 ambi=2 { CG1:27.4 } atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } :: atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } ::sumAvg: 4.56 atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 398 38I-HG13 G1 1.71 ambi=2 { CG1:27.4 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } ::sumAvg: 2.925 atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } ::sumAvg: 3.2 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } ::sumAvg: 3.2 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } ::sumAvg: 4.24 atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } :: atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } ::sumAvg: 4.605 atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } atom: 425 40L-H N 7.89 ambi=1 { N:118 } ::sumAvg: 4.775 atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } atom: 439 41L-H N 8.13 ambi=1 { N:119.5 } ::sumAvg: 4.44 atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } :: atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } ::sumAvg: 3.475 atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } ::sumAvg: 3.8 atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } ::sumAvg: 4.87 atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } ::sumAvg: 4.065 atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } ::sumAvg: 4.065 atom: 742 65L-HA A 3.77 ambi=1 { CA:57.8 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } ::sumAvg: 3.02 atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } ::sumAvg: 3.215 atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 2.5 atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } ::sumAvg: 2.5 atom: 756 66F-HA A 3.76 ambi=1 { CA:62.4 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } ::sumAvg: 4.985 atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } ::sumAvg: 4.375 atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } ::sumAvg: 4.645 atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } atom: 793 69S-H N 7.93 ambi=1 { N:112.7 } ::sumAvg: 3.59 atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } ::sumAvg: 3.78 atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } :: atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } ::sumAvg: 4.015 atom: 837 72L-HD1 D1 0.86 ambi=2 { CD1:24.2 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } ::sumAvg: 3.585 atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } ::sumAvg: 4.475 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 399 38I-HG2 G2 0.43 ambi=1 { CG2:18.2 } ::sumAvg: 4.475 atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } ::sumAvg: 4.575 atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } :: atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } ::sumAvg: 4.665 atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } atom: 742 65L-HA A 3.77 ambi=1 { CA:57.8 } ::sumAvg: 4.605 atom: 742 65L-HA A 3.77 ambi=1 { CA:57.8 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } ::sumAvg: 4.605 atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } ::sumAvg: 3.98 atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } ::sumAvg: 3.37 atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } atom: 793 69S-H N 7.93 ambi=1 { N:112.7 } ::sumAvg: 4.38 atom: 837 72L-HD1 D1 0.86 ambi=2 { CD1:24.2 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } ::sumAvg: 4.405 atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } ::sumAvg: 4.8 atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } ::sumAvg: 4.8 atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } ::sumAvg: 4.41 atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } ::sumAvg: 3.86 atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } ::sumAvg: 3.86 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } ::sumAvg: 2.27 atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } ::sumAvg: 4.61 atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } ::sumAvg: 4.11 atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } atom: 1352 114L-HB2 B 2 ambi=2 { CB:42.3 } :: atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } atom: 1353 114L-HB3 B 1.86 ambi=2 { CB:42.3 } ::sumAvg: 4.715 atom: 1352 114L-HB2 B 2 ambi=2 { CB:42.3 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } :: atom: 1353 114L-HB3 B 1.86 ambi=2 { CB:42.3 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } ::sumAvg: 4.715 atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } atom: 1354 114L-HG G 1.77 ambi=1 { CG:27.1 } ::sumAvg: 4.84 atom: 1354 114L-HG G 1.77 ambi=1 { CG:27.1 } atom: 400 38I-HD1 D1 0.4 ambi=1 { CD1:9 } ::sumAvg: 4.84 atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } :: atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } ::sumAvg: 3.35 atom: 414 39K-HD2 D 1.64 ambi=2 { CD:28.8 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } :: atom: 415 39K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } ::sumAvg: 4.32 atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } ::sumAvg: 4.705 atom: 427 40L-HB2 B 1.87 ambi=2 { CB:42.2 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } :: atom: 428 40L-HB3 B 1.65 ambi=2 { CB:42.2 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } ::sumAvg: 4.69 atom: 429 40L-HG G 1.78 ambi=1 { CG:26.7 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } ::sumAvg: 4.66 atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } :: atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } ::sumAvg: 4.99 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 408 39K-H N 7.84 ambi=1 { N:118.7 } ::sumAvg: 3.49 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } ::sumAvg: 2.28 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } ::sumAvg: 2.28 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } :: atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } ::sumAvg: 3.09 atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } :: atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } ::sumAvg: 3.09 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 414 39K-HD2 D 1.64 ambi=2 { CD:28.8 } :: atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 415 39K-HD3 D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 4.5 atom: 414 39K-HD2 D 1.64 ambi=2 { CD:28.8 } atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } :: atom: 415 39K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } ::sumAvg: 4.5 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } ::sumAvg: 4.415 atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } ::sumAvg: 4.415 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 425 40L-H N 7.89 ambi=1 { N:118 } ::sumAvg: 3.52 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 426 40L-HA A 4.07 ambi=1 { CA:57.9 } ::sumAvg: 4.75 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 439 41L-H N 8.13 ambi=1 { N:119.5 } ::sumAvg: 4.385 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } ::sumAvg: 3.4 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } ::sumAvg: 2.65 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 3.03 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 464 43I-H N 7.89 ambi=1 { N:120.1 } ::sumAvg: 4.205 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 467 43I-HG12 G1 1.35 ambi=2 { CG1:29.1 } :: atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 468 43I-HG13 G1 1.81 ambi=2 { CG1:29.1 } ::sumAvg: 4.14 atom: 467 43I-HG12 G1 1.35 ambi=2 { CG1:29.1 } atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } :: atom: 468 43I-HG13 G1 1.81 ambi=2 { CG1:29.1 } atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } ::sumAvg: 4.14 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 470 43I-HD1 D1 0.95 ambi=1 { CD1:13 } ::sumAvg: 4.25 atom: 470 43I-HD1 D1 0.95 ambi=1 { CD1:13 } atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } ::sumAvg: 4.25 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } ::sumAvg: 4.08 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 682 60W-HZ3 Z3 6.58 ambi=1 { CZ3:119.9 } ::sumAvg: 4.38 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } ::sumAvg: 4.295 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 3.5 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } ::sumAvg: 3.5 atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 4.765 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 409 39K-HA A 3.34 ambi=1 { CA:60.5 } ::sumAvg: 4.765 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } ::sumAvg: 2.695 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 426 40L-HA A 4.07 ambi=1 { CA:57.9 } ::sumAvg: 4.19 atom: 426 40L-HA A 4.07 ambi=1 { CA:57.9 } atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } ::sumAvg: 4.19 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 427 40L-HB2 B 1.87 ambi=2 { CB:42.2 } ::sumAvg: 4.88 atom: 427 40L-HB2 B 1.87 ambi=2 { CB:42.2 } atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } ::sumAvg: 4.88 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 429 40L-HG G 1.78 ambi=1 { CG:26.7 } ::sumAvg: 3.95 atom: 429 40L-HG G 1.78 ambi=1 { CG:26.7 } atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } ::sumAvg: 3.95 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } :: atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } ::sumAvg: 4.345 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 439 41L-H N 8.13 ambi=1 { N:119.5 } ::sumAvg: 4.925 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } ::sumAvg: 4.875 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } ::sumAvg: 4.28 atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } ::sumAvg: 4.28 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 468 43I-HG13 G1 1.81 ambi=2 { CG1:29.1 } ::sumAvg: 4.55 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 470 43I-HD1 D1 0.95 ambi=1 { CD1:13 } ::sumAvg: 3.48 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } ::sumAvg: 4.87 atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } ::sumAvg: 4.87 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } ::sumAvg: 4.595 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } ::sumAvg: 4.555 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } ::sumAvg: 4.115 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 682 60W-HZ3 Z3 6.58 ambi=1 { CZ3:119.9 } ::sumAvg: 4.66 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } ::sumAvg: 4.63 atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } ::sumAvg: 3.385 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 410 39K-QB B 1.37 ambi=2 { CB:32.1 } ::sumAvg: 3.385 atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } atom: 425 40L-H N 7.89 ambi=1 { N:118 } :: atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } atom: 425 40L-H N 7.89 ambi=1 { N:118 } ::sumAvg: 3.54 atom: 426 40L-HA A 4.07 ambi=1 { CA:57.9 } atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } :: atom: 426 40L-HA A 4.07 ambi=1 { CA:57.9 } atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } ::sumAvg: 4.925 atom: 429 40L-HG G 1.78 ambi=1 { CG:26.7 } atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } ::sumAvg: 4.26 atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } :: atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } :: atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } :: atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } ::sumAvg: 4.845 atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } :: atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } ::sumAvg: 4.59 atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } :: atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } ::sumAvg: 4.59 atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } atom: 470 43I-HD1 D1 0.95 ambi=1 { CD1:13 } :: atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } atom: 470 43I-HD1 D1 0.95 ambi=1 { CD1:13 } ::sumAvg: 3.665 atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } :: atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } ::sumAvg: 4.06 atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } :: atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } ::sumAvg: 4.885 atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } :: atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } ::sumAvg: 3.755 atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } :: atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } ::sumAvg: 4.795 atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } ::sumAvg: 3.795 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 412 39K-HG2 G 1.38 ambi=2 { CG:24.9 } :: atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 413 39K-HG3 G 1.44 ambi=2 { CG:24.9 } ::sumAvg: 3.795 atom: 414 39K-HD2 D 1.64 ambi=2 { CD:28.8 } atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } :: atom: 415 39K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } ::sumAvg: 2.285 atom: 414 39K-HD2 D 1.64 ambi=2 { CD:28.8 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 414 39K-HD2 D 1.64 ambi=2 { CD:28.8 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } :: atom: 415 39K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 415 39K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } ::sumAvg: 4.46 atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 414 39K-HD2 D 1.64 ambi=2 { CD:28.8 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 414 39K-HD2 D 1.64 ambi=2 { CD:28.8 } :: atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 415 39K-HD3 D 1.61 ambi=2 { CD:28.8 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 415 39K-HD3 D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 4.46 atom: 414 39K-HD2 D 1.64 ambi=2 { CD:28.8 } atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } :: atom: 415 39K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } ::sumAvg: 4.625 atom: 414 39K-HD2 D 1.64 ambi=2 { CD:28.8 } atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } :: atom: 415 39K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } ::sumAvg: 4.12 atom: 414 39K-HD2 D 1.64 ambi=2 { CD:28.8 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 414 39K-HD2 D 1.64 ambi=2 { CD:28.8 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } :: atom: 415 39K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 415 39K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 4.6 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 414 39K-HD2 D 1.64 ambi=2 { CD:28.8 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 414 39K-HD2 D 1.64 ambi=2 { CD:28.8 } :: atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 415 39K-HD3 D 1.61 ambi=2 { CD:28.8 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 415 39K-HD3 D 1.61 ambi=2 { CD:28.8 } ::sumAvg: 4.6 atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } atom: 425 40L-H N 7.89 ambi=1 { N:118 } ::sumAvg: 4.915 atom: 470 43I-HD1 D1 0.95 ambi=1 { CD1:13 } atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } ::sumAvg: 4.225 atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } ::sumAvg: 4.215 atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } ::sumAvg: 3.755 atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } ::sumAvg: 4.635 atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 4.385 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 416 39K-QE E 2.93 ambi=2 { CE:42.1 } ::sumAvg: 4.385 atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } atom: 425 40L-H N 7.89 ambi=1 { N:118 } :: atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } atom: 425 40L-H N 7.89 ambi=1 { N:118 } ::sumAvg: 4.505 atom: 443 41L-HG G 1.83 ambi=1 { CG:27.7 } atom: 425 40L-H N 7.89 ambi=1 { N:118 } ::sumAvg: 4.62 atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } atom: 425 40L-H N 7.89 ambi=1 { N:118 } ::sumAvg: 4.32 atom: 426 40L-HA A 4.07 ambi=1 { CA:57.9 } atom: 429 40L-HG G 1.78 ambi=1 { CG:26.7 } ::sumAvg: 2.89 atom: 426 40L-HA A 4.07 ambi=1 { CA:57.9 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } ::sumAvg: 4.2 atom: 427 40L-HB2 B 1.87 ambi=2 { CB:42.2 } atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } :: atom: 428 40L-HB3 B 1.65 ambi=2 { CB:42.2 } atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } ::sumAvg: 4.65 atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } atom: 427 40L-HB2 B 1.87 ambi=2 { CB:42.2 } :: atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } atom: 428 40L-HB3 B 1.65 ambi=2 { CB:42.2 } ::sumAvg: 4.65 atom: 427 40L-HB2 B 1.87 ambi=2 { CB:42.2 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } :: atom: 428 40L-HB3 B 1.65 ambi=2 { CB:42.2 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } ::sumAvg: 4.875 atom: 428 40L-HB3 B 1.65 ambi=2 { CB:42.2 } atom: 466 43I-HB B 2.06 ambi=1 { CB:38.1 } ::sumAvg: 4.95 atom: 466 43I-HB B 2.06 ambi=1 { CB:38.1 } atom: 428 40L-HB3 B 1.65 ambi=2 { CB:42.2 } ::sumAvg: 4.95 atom: 427 40L-HB2 B 1.87 ambi=2 { CB:42.2 } atom: 478 44E-H N 8.88 ambi=1 { N:119.8 } :: atom: 428 40L-HB3 B 1.65 ambi=2 { CB:42.2 } atom: 478 44E-H N 8.88 ambi=1 { N:119.8 } ::sumAvg: 4.835 atom: 428 40L-HB3 B 1.65 ambi=2 { CB:42.2 } atom: 481 44E-HB3 B 2.06 ambi=2 { CB:29 } ::sumAvg: 4.655 atom: 481 44E-HB3 B 2.06 ambi=2 { CB:29 } atom: 428 40L-HB3 B 1.65 ambi=2 { CB:42.2 } ::sumAvg: 4.655 atom: 429 40L-HG G 1.78 ambi=1 { CG:26.7 } atom: 439 41L-H N 8.13 ambi=1 { N:119.5 } ::sumAvg: 4.47 atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } atom: 478 44E-H N 8.88 ambi=1 { N:119.8 } :: atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } atom: 478 44E-H N 8.88 ambi=1 { N:119.8 } ::sumAvg: 4.735 atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } :: atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } atom: 483 44E-HG3 G 2.36 ambi=2 { CG:33.8 } :: atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } :: atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } atom: 483 44E-HG3 G 2.36 ambi=2 { CG:33.8 } ::sumAvg: 4.995 atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } atom: 1365 115V-HA A 3.33 ambi=1 { CA:67.4 } :: atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } atom: 1365 115V-HA A 3.33 ambi=1 { CA:67.4 } ::sumAvg: 4.855 atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } atom: 1404 118A-HA A 4 ambi=1 { CA:55.4 } :: atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } atom: 1404 118A-HA A 4 ambi=1 { CA:55.4 } ::sumAvg: 3.575 atom: 430 40L-HD1 D1 0.96 ambi=2 { CD1:24.7 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } :: atom: 431 40L-HD2 D2 0.92 ambi=2 { CD2:24.3 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } ::sumAvg: 4.75 atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 439 41L-H N 8.13 ambi=1 { N:119.5 } ::sumAvg: 4.785 atom: 1404 118A-HA A 4 ambi=1 { CA:55.4 } atom: 439 41L-H N 8.13 ambi=1 { N:119.5 } ::sumAvg: 4.63 atom: 440 41L-HA A 4 ambi=1 { CA:58 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } ::sumAvg: 3.505 atom: 440 41L-HA A 4 ambi=1 { CA:58 } atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } ::sumAvg: 4.69 atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } atom: 440 41L-HA A 4 ambi=1 { CA:58 } ::sumAvg: 4.69 atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } atom: 440 41L-HA A 4 ambi=1 { CA:58 } :: atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } atom: 440 41L-HA A 4 ambi=1 { CA:58 } ::sumAvg: 4.96 atom: 440 41L-HA A 4 ambi=1 { CA:58 } atom: 464 43I-H N 7.89 ambi=1 { N:120.1 } ::sumAvg: 4.545 atom: 440 41L-HA A 4 ambi=1 { CA:58 } atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } :: atom: 440 41L-HA A 4 ambi=1 { CA:58 } atom: 483 44E-HG3 G 2.36 ambi=2 { CG:33.8 } ::sumAvg: 4.655 atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } atom: 440 41L-HA A 4 ambi=1 { CA:58 } :: atom: 483 44E-HG3 G 2.36 ambi=2 { CG:33.8 } atom: 440 41L-HA A 4 ambi=1 { CA:58 } ::sumAvg: 4.655 atom: 440 41L-HA A 4 ambi=1 { CA:58 } atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } :: atom: 440 41L-HA A 4 ambi=1 { CA:58 } atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } ::sumAvg: 4.67 atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } atom: 440 41L-HA A 4 ambi=1 { CA:58 } :: atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } atom: 440 41L-HA A 4 ambi=1 { CA:58 } ::sumAvg: 4.67 atom: 837 72L-HD1 D1 0.86 ambi=2 { CD1:24.2 } atom: 440 41L-HA A 4 ambi=1 { CA:58 } :: atom: 838 72L-HD2 D2 0.78 ambi=2 { CD2:27.3 } atom: 440 41L-HA A 4 ambi=1 { CA:58 } ::sumAvg: 4.07 atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } atom: 443 41L-HG G 1.83 ambi=1 { CG:27.7 } ::sumAvg: 2.48 atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } :: atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } ::sumAvg: 2.7 atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } :: atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } ::sumAvg: 4.33 atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } :: atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } ::sumAvg: 4.88 atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } :: atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } ::sumAvg: 4.88 atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 3.42 atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } :: atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } :: atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } :: atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } ::sumAvg: 4.51 atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } :: atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } :: atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } :: atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } ::sumAvg: 4.51 atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } atom: 493 45N-HD21 D2 7.36 ambi=2 { ND2:113.3 } :: atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } atom: 494 45N-HD22 D2 7.65 ambi=2 { ND2:113.3 } :: atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } atom: 493 45N-HD21 D2 7.36 ambi=2 { ND2:113.3 } :: atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } atom: 494 45N-HD22 D2 7.65 ambi=2 { ND2:113.3 } ::sumAvg: 4.595 atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } atom: 834 72L-HB2 B 1.64 ambi=2 { CB:42.5 } :: atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } atom: 835 72L-HB3 B 1.87 ambi=2 { CB:42.5 } ::sumAvg: 4.27 atom: 834 72L-HB2 B 1.64 ambi=2 { CB:42.5 } atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } :: atom: 835 72L-HB3 B 1.87 ambi=2 { CB:42.5 } atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } ::sumAvg: 4.27 atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } ::sumAvg: 4.435 atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } ::sumAvg: 4.435 atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 441 41L-HB2 B 2.17 ambi=2 { CB:43.5 } :: atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 442 41L-HB3 B 1.37 ambi=2 { CB:43.5 } ::sumAvg: 4.38 atom: 443 41L-HG G 1.83 ambi=1 { CG:27.7 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } ::sumAvg: 4.54 atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } atom: 443 41L-HG G 1.83 ambi=1 { CG:27.7 } :: atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } atom: 443 41L-HG G 1.83 ambi=1 { CG:27.7 } ::sumAvg: 4.41 atom: 443 41L-HG G 1.83 ambi=1 { CG:27.7 } atom: 1403 118A-H N 8.37 ambi=1 { N:122.9 } ::sumAvg: 4.545 atom: 443 41L-HG G 1.83 ambi=1 { CG:27.7 } atom: 1434 121S-HB2 B 3.87 ambi=2 { CB:62.9 } :: atom: 443 41L-HG G 1.83 ambi=1 { CG:27.7 } atom: 1435 121S-HB3 B 3.77 ambi=2 { CB:62.9 } ::sumAvg: 4.645 atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } ::sumAvg: 4.63 atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 480 44E-HB2 B 1.97 ambi=2 { CB:29 } :: atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 481 44E-HB3 B 2.06 ambi=2 { CB:29 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 480 44E-HB2 B 1.97 ambi=2 { CB:29 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 481 44E-HB3 B 2.06 ambi=2 { CB:29 } ::sumAvg: 4.095 atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } :: atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 483 44E-HG3 G 2.36 ambi=2 { CG:33.8 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 483 44E-HG3 G 2.36 ambi=2 { CG:33.8 } ::sumAvg: 4.985 atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } :: atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } ::sumAvg: 4.84 atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 870 75N-HB2 B 2.84 ambi=2 { CB:39.8 } :: atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 871 75N-HB3 B 2.73 ambi=2 { CB:39.8 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 870 75N-HB2 B 2.84 ambi=2 { CB:39.8 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 871 75N-HB3 B 2.73 ambi=2 { CB:39.8 } ::sumAvg: 4.45 atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } ::sumAvg: 4.945 atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } ::sumAvg: 4.145 atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } :: atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } ::sumAvg: 2.64 atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } :: atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } :: atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } :: atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } ::sumAvg: 2.64 atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } :: atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } ::sumAvg: 4.855 atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } :: atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } :: atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } :: atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } ::sumAvg: 4.855 atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 1432 121S-H N 7.75 ambi=1 { N:115.9 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 1432 121S-H N 7.75 ambi=1 { N:115.9 } ::sumAvg: 4.01 atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 1433 121S-HA A 4.13 ambi=1 { CA:61.2 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 1433 121S-HA A 4.13 ambi=1 { CA:61.2 } ::sumAvg: 4.58 atom: 1433 121S-HA A 4.13 ambi=1 { CA:61.2 } atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } :: atom: 1433 121S-HA A 4.13 ambi=1 { CA:61.2 } atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } ::sumAvg: 4.58 atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 1434 121S-HB2 B 3.87 ambi=2 { CB:62.9 } :: atom: 444 41L-HD1 D1 0.97 ambi=2 { CD1:26.1 } atom: 1435 121S-HB3 B 3.77 ambi=2 { CB:62.9 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 1434 121S-HB2 B 3.87 ambi=2 { CB:62.9 } :: atom: 445 41L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 1435 121S-HB3 B 3.77 ambi=2 { CB:62.9 } ::sumAvg: 2.815 atom: 466 43I-HB B 2.06 ambi=1 { CB:38.1 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } ::sumAvg: 4.685 atom: 467 43I-HG12 G1 1.35 ambi=2 { CG1:29.1 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } :: atom: 468 43I-HG13 G1 1.81 ambi=2 { CG1:29.1 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } ::sumAvg: 4.44 atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } :: atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } ::sumAvg: 4.12 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } ::sumAvg: 4.655 atom: 837 72L-HD1 D1 0.86 ambi=2 { CD1:24.2 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } :: atom: 838 72L-HD2 D2 0.78 ambi=2 { CD2:27.3 } atom: 453 42V-H N 8.73 ambi=1 { N:121.9 } ::sumAvg: 3.94 atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } atom: 478 44E-H N 8.88 ambi=1 { N:119.8 } ::sumAvg: 4.75 atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } ::sumAvg: 3.935 atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } :: atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } ::sumAvg: 3.545 atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } atom: 493 45N-HD21 D2 7.36 ambi=2 { ND2:113.3 } :: atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } atom: 494 45N-HD22 D2 7.65 ambi=2 { ND2:113.3 } ::sumAvg: 4.19 atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } :: atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } ::sumAvg: 2.92 atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } ::sumAvg: 3.52 atom: 555 50I-HB B 2.19 ambi=1 { CB:36.3 } atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } ::sumAvg: 4.905 atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } ::sumAvg: 4.965 atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } ::sumAvg: 4.865 atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } ::sumAvg: 4.865 atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 4.64 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } ::sumAvg: 4.64 atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } ::sumAvg: 4.865 atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } atom: 454 42V-HA A 3.59 ambi=1 { CA:67 } ::sumAvg: 4.865 atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 465 43I-HA A 3.86 ambi=1 { CA:64.4 } ::sumAvg: 4.38 atom: 465 43I-HA A 3.86 ambi=1 { CA:64.4 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } ::sumAvg: 4.38 atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 466 43I-HB B 2.06 ambi=1 { CB:38.1 } ::sumAvg: 4.76 atom: 466 43I-HB B 2.06 ambi=1 { CB:38.1 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } ::sumAvg: 4.76 atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 467 43I-HG12 G1 1.35 ambi=2 { CG1:29.1 } :: atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 468 43I-HG13 G1 1.81 ambi=2 { CG1:29.1 } ::sumAvg: 3.265 atom: 467 43I-HG12 G1 1.35 ambi=2 { CG1:29.1 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } :: atom: 468 43I-HG13 G1 1.81 ambi=2 { CG1:29.1 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } ::sumAvg: 3.265 atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 470 43I-HD1 D1 0.95 ambi=1 { CD1:13 } ::sumAvg: 4.515 atom: 470 43I-HD1 D1 0.95 ambi=1 { CD1:13 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } ::sumAvg: 4.515 atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } :: atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } ::sumAvg: 4.61 atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } :: atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } ::sumAvg: 4.61 atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } :: atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } ::sumAvg: 4.375 atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } ::sumAvg: 4.285 atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } ::sumAvg: 4.285 atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } ::sumAvg: 3.925 atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } ::sumAvg: 4.285 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } ::sumAvg: 4.915 atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 4.305 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 455 42V-HB B 2.6 ambi=1 { CB:31.5 } ::sumAvg: 4.305 atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 4.94 atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } atom: 466 43I-HB B 2.06 ambi=1 { CB:38.1 } :: atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } atom: 466 43I-HB B 2.06 ambi=1 { CB:38.1 } ::sumAvg: 4.76 atom: 466 43I-HB B 2.06 ambi=1 { CB:38.1 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 466 43I-HB B 2.06 ambi=1 { CB:38.1 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 4.76 atom: 468 43I-HG13 G1 1.81 ambi=2 { CG1:29.1 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 468 43I-HG13 G1 1.81 ambi=2 { CG1:29.1 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 3.25 atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } :: atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 4.935 atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } :: atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } ::sumAvg: 4.275 atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 4.275 atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } :: atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } ::sumAvg: 3.73 atom: 526 48K-HA A 4.15 ambi=1 { CA:58.1 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 526 48K-HA A 4.15 ambi=1 { CA:58.1 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 4.775 atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } :: atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } ::sumAvg: 4.785 atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 4.785 atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 3.005 atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } :: atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 3.725 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 3.725 atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } :: atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } ::sumAvg: 4.61 atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } :: atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } ::sumAvg: 3.51 atom: 742 65L-HA A 3.77 ambi=1 { CA:57.8 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 742 65L-HA A 3.77 ambi=1 { CA:57.8 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 4.38 atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } ::sumAvg: 3.575 atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } :: atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 3.46 atom: 456 42V-HG1 G1 1.12 ambi=2 { CG1:22.3 } atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } :: atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } ::sumAvg: 4.42 atom: 838 72L-HD2 D2 0.78 ambi=2 { CD2:27.3 } atom: 457 42V-HG2 G2 1.18 ambi=2 { CG2:25.3 } ::sumAvg: 3.31 atom: 465 43I-HA A 3.86 ambi=1 { CA:64.4 } atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } ::sumAvg: 4.17 atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } atom: 465 43I-HA A 3.86 ambi=1 { CA:64.4 } ::sumAvg: 4.17 atom: 465 43I-HA A 3.86 ambi=1 { CA:64.4 } atom: 478 44E-H N 8.88 ambi=1 { N:119.8 } ::sumAvg: 3.555 atom: 465 43I-HA A 3.86 ambi=1 { CA:64.4 } atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } ::sumAvg: 4.325 atom: 465 43I-HA A 3.86 ambi=1 { CA:64.4 } atom: 511 47L-H N 7.8 ambi=1 { N:118.1 } ::sumAvg: 4.105 atom: 467 43I-HG12 G1 1.35 ambi=2 { CG1:29.1 } atom: 466 43I-HB B 2.06 ambi=1 { CB:38.1 } ::sumAvg: 2.49 atom: 466 43I-HB B 2.06 ambi=1 { CB:38.1 } atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } ::sumAvg: 4.915 atom: 467 43I-HG12 G1 1.35 ambi=2 { CG1:29.1 } atom: 478 44E-H N 8.88 ambi=1 { N:119.8 } :: atom: 468 43I-HG13 G1 1.81 ambi=2 { CG1:29.1 } atom: 478 44E-H N 8.88 ambi=1 { N:119.8 } ::sumAvg: 4.37 atom: 468 43I-HG13 G1 1.81 ambi=2 { CG1:29.1 } atom: 570 51T-HG2 G2 1.09 ambi=1 { CG2:22.5 } ::sumAvg: 4.72 atom: 467 43I-HG12 G1 1.35 ambi=2 { CG1:29.1 } atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } :: atom: 468 43I-HG13 G1 1.81 ambi=2 { CG1:29.1 } atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } ::sumAvg: 4.295 atom: 467 43I-HG12 G1 1.35 ambi=2 { CG1:29.1 } atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } :: atom: 468 43I-HG13 G1 1.81 ambi=2 { CG1:29.1 } atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } ::sumAvg: 3.735 atom: 469 43I-HG2 G2 0.97 ambi=1 { CG2:17.2 } atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } :: atom: 469 43I-HG2 G2 0.97 ambi=1 { CG2:17.2 } atom: 483 44E-HG3 G 2.36 ambi=2 { CG:33.8 } ::sumAvg: 4.435 atom: 469 43I-HG2 G2 0.97 ambi=1 { CG2:17.2 } atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } ::sumAvg: 4.725 atom: 470 43I-HD1 D1 0.95 ambi=1 { CD1:13 } atom: 478 44E-H N 8.88 ambi=1 { N:119.8 } ::sumAvg: 4.525 atom: 470 43I-HD1 D1 0.95 ambi=1 { CD1:13 } atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } ::sumAvg: 4.375 atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } atom: 478 44E-H N 8.88 ambi=1 { N:119.8 } :: atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } atom: 478 44E-H N 8.88 ambi=1 { N:119.8 } ::sumAvg: 4.93 atom: 479 44E-HA A 4.06 ambi=1 { CA:58.1 } atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } ::sumAvg: 3.415 atom: 479 44E-HA A 4.06 ambi=1 { CA:58.1 } atom: 490 45N-HA A 4.71 ambi=1 { CA:54.1 } ::sumAvg: 4.615 atom: 490 45N-HA A 4.71 ambi=1 { CA:54.1 } atom: 479 44E-HA A 4.06 ambi=1 { CA:58.1 } ::sumAvg: 4.615 atom: 480 44E-HB2 B 1.97 ambi=2 { CB:29 } atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } :: atom: 481 44E-HB3 B 2.06 ambi=2 { CB:29 } atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } ::sumAvg: 2.375 atom: 480 44E-HB2 B 1.97 ambi=2 { CB:29 } atom: 490 45N-HA A 4.71 ambi=1 { CA:54.1 } :: atom: 481 44E-HB3 B 2.06 ambi=2 { CB:29 } atom: 490 45N-HA A 4.71 ambi=1 { CA:54.1 } ::sumAvg: 4.36 atom: 490 45N-HA A 4.71 ambi=1 { CA:54.1 } atom: 480 44E-HB2 B 1.97 ambi=2 { CB:29 } :: atom: 490 45N-HA A 4.71 ambi=1 { CA:54.1 } atom: 481 44E-HB3 B 2.06 ambi=2 { CB:29 } ::sumAvg: 4.36 atom: 480 44E-HB2 B 1.97 ambi=2 { CB:29 } atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } :: atom: 480 44E-HB2 B 1.97 ambi=2 { CB:29 } atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } :: atom: 481 44E-HB3 B 2.06 ambi=2 { CB:29 } atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } :: atom: 481 44E-HB3 B 2.06 ambi=2 { CB:29 } atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } ::sumAvg: 4.75 atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } atom: 480 44E-HB2 B 1.97 ambi=2 { CB:29 } :: atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } atom: 480 44E-HB2 B 1.97 ambi=2 { CB:29 } :: atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } atom: 481 44E-HB3 B 2.06 ambi=2 { CB:29 } :: atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } atom: 481 44E-HB3 B 2.06 ambi=2 { CB:29 } ::sumAvg: 4.75 atom: 1433 121S-HA A 4.13 ambi=1 { CA:61.2 } atom: 480 44E-HB2 B 1.97 ambi=2 { CB:29 } :: atom: 1433 121S-HA A 4.13 ambi=1 { CA:61.2 } atom: 481 44E-HB3 B 2.06 ambi=2 { CB:29 } ::sumAvg: 4.815 atom: 480 44E-HB2 B 1.97 ambi=2 { CB:29 } atom: 1434 121S-HB2 B 3.87 ambi=2 { CB:62.9 } :: atom: 480 44E-HB2 B 1.97 ambi=2 { CB:29 } atom: 1435 121S-HB3 B 3.77 ambi=2 { CB:62.9 } :: atom: 481 44E-HB3 B 2.06 ambi=2 { CB:29 } atom: 1434 121S-HB2 B 3.87 ambi=2 { CB:62.9 } :: atom: 481 44E-HB3 B 2.06 ambi=2 { CB:29 } atom: 1435 121S-HB3 B 3.77 ambi=2 { CB:62.9 } ::sumAvg: 3.135 atom: 1434 121S-HB2 B 3.87 ambi=2 { CB:62.9 } atom: 480 44E-HB2 B 1.97 ambi=2 { CB:29 } :: atom: 1435 121S-HB3 B 3.77 ambi=2 { CB:62.9 } atom: 480 44E-HB2 B 1.97 ambi=2 { CB:29 } :: atom: 1434 121S-HB2 B 3.87 ambi=2 { CB:62.9 } atom: 481 44E-HB3 B 2.06 ambi=2 { CB:29 } :: atom: 1435 121S-HB3 B 3.77 ambi=2 { CB:62.9 } atom: 481 44E-HB3 B 2.06 ambi=2 { CB:29 } ::sumAvg: 3.135 atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } :: atom: 483 44E-HG3 G 2.36 ambi=2 { CG:33.8 } atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } ::sumAvg: 4.23 atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } atom: 1433 121S-HA A 4.13 ambi=1 { CA:61.2 } :: atom: 483 44E-HG3 G 2.36 ambi=2 { CG:33.8 } atom: 1433 121S-HA A 4.13 ambi=1 { CA:61.2 } ::sumAvg: 3.965 atom: 1433 121S-HA A 4.13 ambi=1 { CA:61.2 } atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } :: atom: 1433 121S-HA A 4.13 ambi=1 { CA:61.2 } atom: 483 44E-HG3 G 2.36 ambi=2 { CG:33.8 } ::sumAvg: 3.965 atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } atom: 1434 121S-HB2 B 3.87 ambi=2 { CB:62.9 } :: atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } atom: 1435 121S-HB3 B 3.77 ambi=2 { CB:62.9 } :: atom: 483 44E-HG3 G 2.36 ambi=2 { CG:33.8 } atom: 1434 121S-HB2 B 3.87 ambi=2 { CB:62.9 } :: atom: 483 44E-HG3 G 2.36 ambi=2 { CG:33.8 } atom: 1435 121S-HB3 B 3.77 ambi=2 { CB:62.9 } ::sumAvg: 3.45 atom: 1434 121S-HB2 B 3.87 ambi=2 { CB:62.9 } atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } :: atom: 1435 121S-HB3 B 3.77 ambi=2 { CB:62.9 } atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } :: atom: 1434 121S-HB2 B 3.87 ambi=2 { CB:62.9 } atom: 483 44E-HG3 G 2.36 ambi=2 { CG:33.8 } :: atom: 1435 121S-HB3 B 3.77 ambi=2 { CB:62.9 } atom: 483 44E-HG3 G 2.36 ambi=2 { CG:33.8 } ::sumAvg: 3.45 atom: 1445 122L-HD1 D1 0.94 ambi=2 { CD1:25 } atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } :: atom: 1446 122L-HD2 D2 0.89 ambi=2 { CD2:24.4 } atom: 482 44E-HG2 G 2.47 ambi=2 { CG:33.8 } :: atom: 1445 122L-HD1 D1 0.94 ambi=2 { CD1:25 } atom: 483 44E-HG3 G 2.36 ambi=2 { CG:33.8 } :: atom: 1446 122L-HD2 D2 0.89 ambi=2 { CD2:24.4 } atom: 483 44E-HG3 G 2.36 ambi=2 { CG:33.8 } ::sumAvg: 4.845 atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } ::sumAvg: 4.66 atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } :: atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } ::sumAvg: 4.44 atom: 837 72L-HD1 D1 0.86 ambi=2 { CD1:24.2 } atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } :: atom: 838 72L-HD2 D2 0.78 ambi=2 { CD2:27.3 } atom: 489 45N-H N 7.56 ambi=1 { N:112.7 } ::sumAvg: 4.63 atom: 490 45N-HA A 4.71 ambi=1 { CA:54.1 } atom: 502 46N-HB2 B 2.63 ambi=2 { CB:37.4 } :: atom: 490 45N-HA A 4.71 ambi=1 { CA:54.1 } atom: 503 46N-HB3 B 3.17 ambi=2 { CB:37.4 } ::sumAvg: 4.415 atom: 502 46N-HB2 B 2.63 ambi=2 { CB:37.4 } atom: 490 45N-HA A 4.71 ambi=1 { CA:54.1 } :: atom: 503 46N-HB3 B 3.17 ambi=2 { CB:37.4 } atom: 490 45N-HA A 4.71 ambi=1 { CA:54.1 } ::sumAvg: 4.415 atom: 490 45N-HA A 4.71 ambi=1 { CA:54.1 } atom: 493 45N-HD21 D2 7.36 ambi=2 { ND2:113.3 } :: atom: 490 45N-HA A 4.71 ambi=1 { CA:54.1 } atom: 494 45N-HD22 D2 7.65 ambi=2 { ND2:113.3 } ::sumAvg: 4.23 atom: 490 45N-HA A 4.71 ambi=1 { CA:54.1 } atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } ::sumAvg: 3.32 atom: 490 45N-HA A 4.71 ambi=1 { CA:54.1 } atom: 872 75N-HD21 D2 7.39 ambi=2 { ND2:109.3 } :: atom: 490 45N-HA A 4.71 ambi=1 { CA:54.1 } atom: 873 75N-HD22 D2 6.77 ambi=2 { ND2:109.3 } ::sumAvg: 4.44 atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } :: atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } ::sumAvg: 4.965 atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } :: atom: 501 46N-HA A 4.42 ambi=1 { CA:53.9 } atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } ::sumAvg: 4.965 atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } atom: 503 46N-HB3 B 3.17 ambi=2 { CB:37.4 } ::sumAvg: 4.675 atom: 503 46N-HB3 B 3.17 ambi=2 { CB:37.4 } atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } ::sumAvg: 4.675 atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } :: atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } ::sumAvg: 2.905 atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } :: atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } :: atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } :: atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } ::sumAvg: 4.465 atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } :: atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } :: atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } :: atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } ::sumAvg: 4.465 atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } :: atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } ::sumAvg: 3.87 atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } :: atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } ::sumAvg: 3.87 atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } :: atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } :: atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } :: atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } ::sumAvg: 2.91 atom: 837 72L-HD1 D1 0.86 ambi=2 { CD1:24.2 } atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } :: atom: 838 72L-HD2 D2 0.78 ambi=2 { CD2:27.3 } atom: 491 45N-HB2 B 2.84 ambi=2 { CB:39.3 } :: atom: 837 72L-HD1 D1 0.86 ambi=2 { CD1:24.2 } atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } :: atom: 838 72L-HD2 D2 0.78 ambi=2 { CD2:27.3 } atom: 492 45N-HB3 B 2.58 ambi=2 { CB:39.3 } ::sumAvg: 3.065 atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } atom: 493 45N-HD21 D2 7.36 ambi=2 { ND2:113.3 } :: atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } atom: 494 45N-HD22 D2 7.65 ambi=2 { ND2:113.3 } ::sumAvg: 4.25 atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } atom: 493 45N-HD21 D2 7.36 ambi=2 { ND2:113.3 } :: atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } atom: 493 45N-HD21 D2 7.36 ambi=2 { ND2:113.3 } :: atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } atom: 494 45N-HD22 D2 7.65 ambi=2 { ND2:113.3 } :: atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } atom: 494 45N-HD22 D2 7.65 ambi=2 { ND2:113.3 } ::sumAvg: 3.17 atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } atom: 493 45N-HD21 D2 7.36 ambi=2 { ND2:113.3 } :: atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } atom: 494 45N-HD22 D2 7.65 ambi=2 { ND2:113.3 } ::sumAvg: 4.815 atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } ::sumAvg: 4.73 atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } :: atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } ::sumAvg: 4.2 atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } ::sumAvg: 4.555 atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } :: atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } atom: 500 46N-H N 7.93 ambi=1 { N:117.7 } ::sumAvg: 3.895 atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } ::sumAvg: 2.79 atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } ::sumAvg: 2.79 atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } atom: 525 48K-H N 8.04 ambi=1 { N:126.3 } ::sumAvg: 2.27 atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } atom: 526 48K-HA A 4.15 ambi=1 { CA:58.1 } ::sumAvg: 4.495 atom: 526 48K-HA A 4.15 ambi=1 { CA:58.1 } atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } ::sumAvg: 4.495 atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } atom: 527 48K-HB2 B 1.75 ambi=2 { CB:32.3 } :: atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } atom: 528 48K-HB3 B 1.77 ambi=2 { CB:32.3 } ::sumAvg: 4.565 atom: 527 48K-HB2 B 1.75 ambi=2 { CB:32.3 } atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } :: atom: 528 48K-HB3 B 1.77 ambi=2 { CB:32.3 } atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } ::sumAvg: 4.565 atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } ::sumAvg: 3.425 atom: 544 49E-HB2 B 2.02 ambi=2 { CB:29.2 } atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } :: atom: 545 49E-HB3 B 1.85 ambi=2 { CB:29.2 } atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } ::sumAvg: 4.52 atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } atom: 555 50I-HB B 2.19 ambi=1 { CB:36.3 } ::sumAvg: 4.86 atom: 555 50I-HB B 2.19 ambi=1 { CB:36.3 } atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } ::sumAvg: 4.86 atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } atom: 556 50I-HG12 G1 1.26 ambi=2 { CG1:27.4 } :: atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } atom: 557 50I-HG13 G1 1.45 ambi=2 { CG1:27.4 } ::sumAvg: 4.785 atom: 556 50I-HG12 G1 1.26 ambi=2 { CG1:27.4 } atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } :: atom: 557 50I-HG13 G1 1.45 ambi=2 { CG1:27.4 } atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } ::sumAvg: 4.785 atom: 823 71L-HD1 D1 0.88 ambi=2 { CD1:25.7 } atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } :: atom: 824 71L-HD2 D2 0.91 ambi=2 { CD2:22.7 } atom: 512 47L-HA A 4.65 ambi=1 { CA:53.9 } ::sumAvg: 4.785 atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } atom: 525 48K-H N 8.04 ambi=1 { N:126.3 } :: atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } atom: 525 48K-H N 8.04 ambi=1 { N:126.3 } ::sumAvg: 4.035 atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } :: atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } ::sumAvg: 4.215 atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } atom: 544 49E-HB2 B 2.02 ambi=2 { CB:29.2 } ::sumAvg: 4.455 atom: 544 49E-HB2 B 2.02 ambi=2 { CB:29.2 } atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } ::sumAvg: 4.455 atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } atom: 553 50I-H N 7.57 ambi=1 { N:116.1 } :: atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } atom: 553 50I-H N 7.57 ambi=1 { N:116.1 } ::sumAvg: 3.075 atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } atom: 555 50I-HB B 2.19 ambi=1 { CB:36.3 } ::sumAvg: 2.675 atom: 555 50I-HB B 2.19 ambi=1 { CB:36.3 } atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } ::sumAvg: 2.675 atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } atom: 556 50I-HG12 G1 1.26 ambi=2 { CG1:27.4 } :: atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } atom: 557 50I-HG13 G1 1.45 ambi=2 { CG1:27.4 } ::sumAvg: 2.94 atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } :: atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } ::sumAvg: 4.01 atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } :: atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } ::sumAvg: 4.01 atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } :: atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } ::sumAvg: 3.305 atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } atom: 837 72L-HD1 D1 0.86 ambi=2 { CD1:24.2 } :: atom: 513 47L-HB2 B 1.85 ambi=2 { CB:40.3 } atom: 838 72L-HD2 D2 0.78 ambi=2 { CD2:27.3 } :: atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } atom: 837 72L-HD1 D1 0.86 ambi=2 { CD1:24.2 } :: atom: 514 47L-HB3 B 1.51 ambi=2 { CB:40.3 } atom: 838 72L-HD2 D2 0.78 ambi=2 { CD2:27.3 } ::sumAvg: 4.59 atom: 588 53N-HA A 4.64 ambi=1 { CA:54.2 } atom: 599 54V-HA A 3.77 ambi=1 { CA:63.3 } ::sumAvg: 4.68 atom: 599 54V-HA A 3.77 ambi=1 { CA:63.3 } atom: 588 53N-HA A 4.64 ambi=1 { CA:54.2 } ::sumAvg: 4.68 atom: 588 53N-HA A 4.64 ambi=1 { CA:54.2 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 588 53N-HA A 4.64 ambi=1 { CA:54.2 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 4.83 atom: 611 55K-HB2 B 1.85 ambi=2 { CB:32.4 } atom: 588 53N-HA A 4.64 ambi=1 { CA:54.2 } :: atom: 612 55K-HB3 B 1.78 ambi=2 { CB:32.4 } atom: 588 53N-HA A 4.64 ambi=1 { CA:54.2 } ::sumAvg: 4.95 atom: 589 53N-HB2 B 2.81 ambi=2 { CB:39.5 } atom: 599 54V-HA A 3.77 ambi=1 { CA:63.3 } :: atom: 590 53N-HB3 B 2.68 ambi=2 { CB:39.5 } atom: 599 54V-HA A 3.77 ambi=1 { CA:63.3 } ::sumAvg: 4.3 atom: 599 54V-HA A 3.77 ambi=1 { CA:63.3 } atom: 589 53N-HB2 B 2.81 ambi=2 { CB:39.5 } :: atom: 599 54V-HA A 3.77 ambi=1 { CA:63.3 } atom: 590 53N-HB3 B 2.68 ambi=2 { CB:39.5 } ::sumAvg: 4.3 atom: 589 53N-HB2 B 2.81 ambi=2 { CB:39.5 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 589 53N-HB2 B 2.81 ambi=2 { CB:39.5 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } :: atom: 590 53N-HB3 B 2.68 ambi=2 { CB:39.5 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 590 53N-HB3 B 2.68 ambi=2 { CB:39.5 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 3.285 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 589 53N-HB2 B 2.81 ambi=2 { CB:39.5 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 589 53N-HB2 B 2.81 ambi=2 { CB:39.5 } :: atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 590 53N-HB3 B 2.68 ambi=2 { CB:39.5 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 590 53N-HB3 B 2.68 ambi=2 { CB:39.5 } ::sumAvg: 3.285 atom: 589 53N-HB2 B 2.81 ambi=2 { CB:39.5 } atom: 775 67K-HD2 D 1.54 ambi=2 { CD:29.3 } :: atom: 589 53N-HB2 B 2.81 ambi=2 { CB:39.5 } atom: 776 67K-HD3 D 1.69 ambi=2 { CD:29.3 } :: atom: 590 53N-HB3 B 2.68 ambi=2 { CB:39.5 } atom: 775 67K-HD2 D 1.54 ambi=2 { CD:29.3 } :: atom: 590 53N-HB3 B 2.68 ambi=2 { CB:39.5 } atom: 776 67K-HD3 D 1.69 ambi=2 { CD:29.3 } ::sumAvg: 4.75 atom: 775 67K-HD2 D 1.54 ambi=2 { CD:29.3 } atom: 589 53N-HB2 B 2.81 ambi=2 { CB:39.5 } :: atom: 776 67K-HD3 D 1.69 ambi=2 { CD:29.3 } atom: 589 53N-HB2 B 2.81 ambi=2 { CB:39.5 } :: atom: 775 67K-HD2 D 1.54 ambi=2 { CD:29.3 } atom: 590 53N-HB3 B 2.68 ambi=2 { CB:39.5 } :: atom: 776 67K-HD3 D 1.69 ambi=2 { CD:29.3 } atom: 590 53N-HB3 B 2.68 ambi=2 { CB:39.5 } ::sumAvg: 4.75 atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } atom: 525 48K-H N 8.04 ambi=1 { N:126.3 } ::sumAvg: 4.945 atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } atom: 555 50I-HB B 2.19 ambi=1 { CB:36.3 } ::sumAvg: 4.805 atom: 555 50I-HB B 2.19 ambi=1 { CB:36.3 } atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } ::sumAvg: 4.805 atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } ::sumAvg: 4.405 atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } ::sumAvg: 4.405 atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } atom: 837 72L-HD1 D1 0.86 ambi=2 { CD1:24.2 } :: atom: 515 47L-HG G 1.62 ambi=1 { CG:26.8 } atom: 838 72L-HD2 D2 0.78 ambi=2 { CD2:27.3 } ::sumAvg: 3.87 atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } atom: 525 48K-H N 8.04 ambi=1 { N:126.3 } :: atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } atom: 525 48K-H N 8.04 ambi=1 { N:126.3 } ::sumAvg: 4.02 atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } :: atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } ::sumAvg: 4.73 atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } atom: 553 50I-H N 7.57 ambi=1 { N:116.1 } :: atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } atom: 553 50I-H N 7.57 ambi=1 { N:116.1 } ::sumAvg: 4.545 atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } :: atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } ::sumAvg: 3.585 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } :: atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } ::sumAvg: 3.68 atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } atom: 819 71L-HA A 4.15 ambi=1 { CA:57.5 } :: atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } atom: 819 71L-HA A 4.15 ambi=1 { CA:57.5 } ::sumAvg: 4.825 atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } :: atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } ::sumAvg: 2.555 atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } atom: 872 75N-HD21 D2 7.39 ambi=2 { ND2:109.3 } :: atom: 516 47L-HD1 D1 0.92 ambi=2 { CD1:26.3 } atom: 873 75N-HD22 D2 6.77 ambi=2 { ND2:109.3 } :: atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } atom: 872 75N-HD21 D2 7.39 ambi=2 { ND2:109.3 } :: atom: 517 47L-HD2 D2 0.91 ambi=2 { CD2:23.6 } atom: 873 75N-HD22 D2 6.77 ambi=2 { ND2:109.3 } ::sumAvg: 4.96 atom: 531 48K-QD D 1.67 ambi=2 { CD:29 } atom: 525 48K-H N 8.04 ambi=1 { N:126.3 } ::sumAvg: 4.075 atom: 544 49E-HB2 B 2.02 ambi=2 { CB:29.2 } atom: 525 48K-H N 8.04 ambi=1 { N:126.3 } :: atom: 545 49E-HB3 B 1.85 ambi=2 { CB:29.2 } atom: 525 48K-H N 8.04 ambi=1 { N:126.3 } ::sumAvg: 4.785 atom: 526 48K-HA A 4.15 ambi=1 { CA:58.1 } atom: 533 48K-QE E 3 ambi=2 { CE:42.1 } ::sumAvg: 4.59 atom: 533 48K-QE E 3 ambi=2 { CE:42.1 } atom: 526 48K-HA A 4.15 ambi=1 { CA:58.1 } ::sumAvg: 4.59 atom: 526 48K-HA A 4.15 ambi=1 { CA:58.1 } atom: 553 50I-H N 7.57 ambi=1 { N:116.1 } ::sumAvg: 4.085 atom: 526 48K-HA A 4.15 ambi=1 { CA:58.1 } atom: 570 51T-HG2 G2 1.09 ambi=1 { CG2:22.5 } ::sumAvg: 3.415 atom: 527 48K-HB2 B 1.75 ambi=2 { CB:32.3 } atom: 533 48K-QE E 3 ambi=2 { CE:42.1 } :: atom: 528 48K-HB3 B 1.77 ambi=2 { CB:32.3 } atom: 533 48K-QE E 3 ambi=2 { CE:42.1 } ::sumAvg: 3.965 atom: 533 48K-QE E 3 ambi=2 { CE:42.1 } atom: 527 48K-HB2 B 1.75 ambi=2 { CB:32.3 } :: atom: 533 48K-QE E 3 ambi=2 { CE:42.1 } atom: 528 48K-HB3 B 1.77 ambi=2 { CB:32.3 } ::sumAvg: 3.965 atom: 527 48K-HB2 B 1.75 ambi=2 { CB:32.3 } atom: 543 49E-HA A 4.04 ambi=1 { CA:58.8 } :: atom: 528 48K-HB3 B 1.77 ambi=2 { CB:32.3 } atom: 543 49E-HA A 4.04 ambi=1 { CA:58.8 } ::sumAvg: 4.34 atom: 543 49E-HA A 4.04 ambi=1 { CA:58.8 } atom: 527 48K-HB2 B 1.75 ambi=2 { CB:32.3 } :: atom: 543 49E-HA A 4.04 ambi=1 { CA:58.8 } atom: 528 48K-HB3 B 1.77 ambi=2 { CB:32.3 } ::sumAvg: 4.34 atom: 527 48K-HB2 B 1.75 ambi=2 { CB:32.3 } atom: 580 52N-HD21 D2 7.52 ambi=2 { ND2:111.5 } :: atom: 527 48K-HB2 B 1.75 ambi=2 { CB:32.3 } atom: 581 52N-HD22 D2 6.84 ambi=2 { ND2:111.5 } :: atom: 528 48K-HB3 B 1.77 ambi=2 { CB:32.3 } atom: 580 52N-HD21 D2 7.52 ambi=2 { ND2:111.5 } :: atom: 528 48K-HB3 B 1.77 ambi=2 { CB:32.3 } atom: 581 52N-HD22 D2 6.84 ambi=2 { ND2:111.5 } ::sumAvg: 4.005 atom: 529 48K-HG2 G 1.38 ambi=2 { CG:24.9 } atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } :: atom: 530 48K-HG3 G 1.45 ambi=2 { CG:24.9 } atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } ::sumAvg: 4.16 atom: 569 51T-HB B 4.16 ambi=1 { CB:68.2 } atom: 529 48K-HG2 G 1.38 ambi=2 { CG:24.9 } :: atom: 569 51T-HB B 4.16 ambi=1 { CB:68.2 } atom: 530 48K-HG3 G 1.45 ambi=2 { CG:24.9 } ::sumAvg: 4.905 atom: 529 48K-HG2 G 1.38 ambi=2 { CG:24.9 } atom: 580 52N-HD21 D2 7.52 ambi=2 { ND2:111.5 } :: atom: 529 48K-HG2 G 1.38 ambi=2 { CG:24.9 } atom: 581 52N-HD22 D2 6.84 ambi=2 { ND2:111.5 } :: atom: 530 48K-HG3 G 1.45 ambi=2 { CG:24.9 } atom: 580 52N-HD21 D2 7.52 ambi=2 { ND2:111.5 } :: atom: 530 48K-HG3 G 1.45 ambi=2 { CG:24.9 } atom: 581 52N-HD22 D2 6.84 ambi=2 { ND2:111.5 } ::sumAvg: 4.415 atom: 531 48K-QD D 1.67 ambi=2 { CD:29 } atom: 533 48K-QE E 3 ambi=2 { CE:42.1 } ::sumAvg: 2.09 atom: 533 48K-QE E 3 ambi=2 { CE:42.1 } atom: 531 48K-QD D 1.67 ambi=2 { CD:29 } ::sumAvg: 2.09 atom: 531 48K-QD D 1.67 ambi=2 { CD:29 } atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } ::sumAvg: 4.775 atom: 531 48K-QD D 1.67 ambi=2 { CD:29 } atom: 580 52N-HD21 D2 7.52 ambi=2 { ND2:111.5 } :: atom: 531 48K-QD D 1.67 ambi=2 { CD:29 } atom: 581 52N-HD22 D2 6.84 ambi=2 { ND2:111.5 } ::sumAvg: 4.63 atom: 533 48K-QE E 3 ambi=2 { CE:42.1 } atom: 580 52N-HD21 D2 7.52 ambi=2 { ND2:111.5 } :: atom: 533 48K-QE E 3 ambi=2 { CE:42.1 } atom: 581 52N-HD22 D2 6.84 ambi=2 { ND2:111.5 } ::sumAvg: 4.735 atom: 556 50I-HG12 G1 1.26 ambi=2 { CG1:27.4 } atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } :: atom: 557 50I-HG13 G1 1.45 ambi=2 { CG1:27.4 } atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } ::sumAvg: 4.475 atom: 823 71L-HD1 D1 0.88 ambi=2 { CD1:25.7 } atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } :: atom: 824 71L-HD2 D2 0.91 ambi=2 { CD2:22.7 } atom: 542 49E-H N 9.18 ambi=1 { N:118.1 } ::sumAvg: 4.445 atom: 543 49E-HA A 4.04 ambi=1 { CA:58.8 } atom: 567 51T-H N 7.81 ambi=1 { N:112.2 } ::sumAvg: 4.68 atom: 543 49E-HA A 4.04 ambi=1 { CA:58.8 } atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } ::sumAvg: 3.875 atom: 543 49E-HA A 4.04 ambi=1 { CA:58.8 } atom: 578 52N-QB B 2.75 ambi=2 { CB:38 } ::sumAvg: 3.405 atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } atom: 544 49E-HB2 B 2.02 ambi=2 { CB:29.2 } :: atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } atom: 545 49E-HB3 B 1.85 ambi=2 { CB:29.2 } ::sumAvg: 4.335 atom: 544 49E-HB2 B 2.02 ambi=2 { CB:29.2 } atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } :: atom: 545 49E-HB3 B 1.85 ambi=2 { CB:29.2 } atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } ::sumAvg: 3.97 atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } atom: 589 53N-HB2 B 2.81 ambi=2 { CB:39.5 } :: atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } atom: 590 53N-HB3 B 2.68 ambi=2 { CB:39.5 } ::sumAvg: 3.19 atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } atom: 556 50I-HG12 G1 1.26 ambi=2 { CG1:27.4 } :: atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } atom: 557 50I-HG13 G1 1.45 ambi=2 { CG1:27.4 } ::sumAvg: 2.83 atom: 556 50I-HG12 G1 1.26 ambi=2 { CG1:27.4 } atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } :: atom: 557 50I-HG13 G1 1.45 ambi=2 { CG1:27.4 } atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } ::sumAvg: 2.83 atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } ::sumAvg: 4.205 atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 4.095 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } ::sumAvg: 4.095 atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } atom: 823 71L-HD1 D1 0.88 ambi=2 { CD1:25.7 } :: atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } atom: 824 71L-HD2 D2 0.91 ambi=2 { CD2:22.7 } ::sumAvg: 4.26 atom: 823 71L-HD1 D1 0.88 ambi=2 { CD1:25.7 } atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } :: atom: 824 71L-HD2 D2 0.91 ambi=2 { CD2:22.7 } atom: 554 50I-HA A 4.07 ambi=1 { CA:60.5 } ::sumAvg: 4.26 atom: 555 50I-HB B 2.19 ambi=1 { CB:36.3 } atom: 568 51T-HA A 3.71 ambi=1 { CA:64.7 } ::sumAvg: 4.25 atom: 568 51T-HA A 3.71 ambi=1 { CA:64.7 } atom: 555 50I-HB B 2.19 ambi=1 { CB:36.3 } ::sumAvg: 4.25 atom: 555 50I-HB B 2.19 ambi=1 { CB:36.3 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 555 50I-HB B 2.19 ambi=1 { CB:36.3 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 4.415 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 555 50I-HB B 2.19 ambi=1 { CB:36.3 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 555 50I-HB B 2.19 ambi=1 { CB:36.3 } ::sumAvg: 4.415 atom: 555 50I-HB B 2.19 ambi=1 { CB:36.3 } atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } ::sumAvg: 4.605 atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } atom: 555 50I-HB B 2.19 ambi=1 { CB:36.3 } ::sumAvg: 4.605 atom: 555 50I-HB B 2.19 ambi=1 { CB:36.3 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 4.245 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 555 50I-HB B 2.19 ambi=1 { CB:36.3 } ::sumAvg: 4.245 atom: 556 50I-HG12 G1 1.26 ambi=2 { CG1:27.4 } atom: 567 51T-H N 7.81 ambi=1 { N:112.2 } :: atom: 557 50I-HG13 G1 1.45 ambi=2 { CG1:27.4 } atom: 567 51T-H N 7.81 ambi=1 { N:112.2 } ::sumAvg: 4.19 atom: 556 50I-HG12 G1 1.26 ambi=2 { CG1:27.4 } atom: 771 67K-HB2 B 1.87 ambi=2 { CB:32.2 } :: atom: 556 50I-HG12 G1 1.26 ambi=2 { CG1:27.4 } atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } :: atom: 557 50I-HG13 G1 1.45 ambi=2 { CG1:27.4 } atom: 771 67K-HB2 B 1.87 ambi=2 { CB:32.2 } :: atom: 557 50I-HG13 G1 1.45 ambi=2 { CG1:27.4 } atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } ::sumAvg: 4.625 atom: 556 50I-HG12 G1 1.26 ambi=2 { CG1:27.4 } atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } :: atom: 557 50I-HG13 G1 1.45 ambi=2 { CG1:27.4 } atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } ::sumAvg: 4.375 atom: 556 50I-HG12 G1 1.26 ambi=2 { CG1:27.4 } atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } :: atom: 557 50I-HG13 G1 1.45 ambi=2 { CG1:27.4 } atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } ::sumAvg: 3.26 atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } atom: 556 50I-HG12 G1 1.26 ambi=2 { CG1:27.4 } :: atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } atom: 557 50I-HG13 G1 1.45 ambi=2 { CG1:27.4 } ::sumAvg: 3.26 atom: 556 50I-HG12 G1 1.26 ambi=2 { CG1:27.4 } atom: 821 71L-HB3 B 1.87 ambi=2 { CB:42.4 } :: atom: 557 50I-HG13 G1 1.45 ambi=2 { CG1:27.4 } atom: 821 71L-HB3 B 1.87 ambi=2 { CB:42.4 } ::sumAvg: 4.295 atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 589 53N-HB2 B 2.81 ambi=2 { CB:39.5 } :: atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 590 53N-HB3 B 2.68 ambi=2 { CB:39.5 } ::sumAvg: 3.65 atom: 589 53N-HB2 B 2.81 ambi=2 { CB:39.5 } atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } :: atom: 590 53N-HB3 B 2.68 ambi=2 { CB:39.5 } atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } ::sumAvg: 3.65 atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 568 51T-HA A 3.71 ambi=1 { CA:64.7 } ::sumAvg: 3.325 atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } ::sumAvg: 4.83 atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 600 54V-HB B 1.7 ambi=1 { CB:31.8 } ::sumAvg: 4.435 atom: 600 54V-HB B 1.7 ambi=1 { CB:31.8 } atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } ::sumAvg: 4.435 atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 2.485 atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } ::sumAvg: 4.96 atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } ::sumAvg: 4.82 atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } ::sumAvg: 4.255 atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 682 60W-HZ3 Z3 6.58 ambi=1 { CZ3:119.9 } ::sumAvg: 4.52 atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } ::sumAvg: 4.105 atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 742 65L-HA A 3.77 ambi=1 { CA:57.8 } ::sumAvg: 4.305 atom: 742 65L-HA A 3.77 ambi=1 { CA:57.8 } atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } ::sumAvg: 4.305 atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } ::sumAvg: 3.895 atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } ::sumAvg: 3.895 atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } ::sumAvg: 3.525 atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } ::sumAvg: 3.525 atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 771 67K-HB2 B 1.87 ambi=2 { CB:32.2 } :: atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } ::sumAvg: 4.055 atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } ::sumAvg: 3.915 atom: 558 50I-HG2 G2 0.76 ambi=1 { CG2:18.4 } atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } ::sumAvg: 2.96 atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } atom: 589 53N-HB2 B 2.81 ambi=2 { CB:39.5 } :: atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } atom: 590 53N-HB3 B 2.68 ambi=2 { CB:39.5 } ::sumAvg: 4.675 atom: 589 53N-HB2 B 2.81 ambi=2 { CB:39.5 } atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } :: atom: 590 53N-HB3 B 2.68 ambi=2 { CB:39.5 } atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } ::sumAvg: 4.675 atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } atom: 567 51T-H N 7.81 ambi=1 { N:112.2 } ::sumAvg: 4.56 atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 4.535 atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } ::sumAvg: 4.95 atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } ::sumAvg: 4.85 atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } ::sumAvg: 4.85 atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } ::sumAvg: 4.985 atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } ::sumAvg: 4.985 atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } atom: 793 69S-H N 7.93 ambi=1 { N:112.7 } ::sumAvg: 4.865 atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } ::sumAvg: 4.74 atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } atom: 818 71L-H N 8.15 ambi=1 { N:121.7 } ::sumAvg: 3.815 atom: 820 71L-HB2 B 1.55 ambi=2 { CB:42.4 } atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } :: atom: 821 71L-HB3 B 1.87 ambi=2 { CB:42.4 } atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } ::sumAvg: 3.225 atom: 822 71L-HG G 1.85 ambi=1 { CG:27.2 } atom: 559 50I-HD1 D1 0.74 ambi=1 { CD1:9.8 } ::sumAvg: 3.74 atom: 578 52N-QB B 2.75 ambi=2 { CB:38 } atom: 567 51T-H N 7.81 ambi=1 { N:112.2 } ::sumAvg: 4.91 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 567 51T-H N 7.81 ambi=1 { N:112.2 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 567 51T-H N 7.81 ambi=1 { N:112.2 } ::sumAvg: 4.135 atom: 568 51T-HA A 3.71 ambi=1 { CA:64.7 } atom: 577 52N-HA A 4.49 ambi=1 { CA:54.6 } ::sumAvg: 4.765 atom: 577 52N-HA A 4.49 ambi=1 { CA:54.6 } atom: 568 51T-HA A 3.71 ambi=1 { CA:64.7 } ::sumAvg: 4.765 atom: 568 51T-HA A 3.71 ambi=1 { CA:64.7 } atom: 587 53N-H N 7.56 ambi=1 { N:117.5 } ::sumAvg: 4.155 atom: 568 51T-HA A 3.71 ambi=1 { CA:64.7 } atom: 598 54V-H N 7.52 ambi=1 { N:119.4 } ::sumAvg: 3.19 atom: 568 51T-HA A 3.71 ambi=1 { CA:64.7 } atom: 609 55K-H N 8.08 ambi=1 { N:122.2 } ::sumAvg: 4.41 atom: 568 51T-HA A 3.71 ambi=1 { CA:64.7 } atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } ::sumAvg: 4.725 atom: 568 51T-HA A 3.71 ambi=1 { CA:64.7 } atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } ::sumAvg: 4.635 atom: 569 51T-HB B 4.16 ambi=1 { CB:68.2 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 569 51T-HB B 4.16 ambi=1 { CB:68.2 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 4.635 atom: 570 51T-HG2 G2 1.09 ambi=1 { CG2:22.5 } atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } ::sumAvg: 3.68 atom: 577 52N-HA A 4.49 ambi=1 { CA:54.6 } atom: 570 51T-HG2 G2 1.09 ambi=1 { CG2:22.5 } ::sumAvg: 4.415 atom: 570 51T-HG2 G2 1.09 ambi=1 { CG2:22.5 } atom: 600 54V-HB B 1.7 ambi=1 { CB:31.8 } ::sumAvg: 4.645 atom: 600 54V-HB B 1.7 ambi=1 { CB:31.8 } atom: 570 51T-HG2 G2 1.09 ambi=1 { CG2:22.5 } ::sumAvg: 4.645 atom: 570 51T-HG2 G2 1.09 ambi=1 { CG2:22.5 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 570 51T-HG2 G2 1.09 ambi=1 { CG2:22.5 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 3.73 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 570 51T-HG2 G2 1.09 ambi=1 { CG2:22.5 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 570 51T-HG2 G2 1.09 ambi=1 { CG2:22.5 } ::sumAvg: 3.73 atom: 611 55K-HB2 B 1.85 ambi=2 { CB:32.4 } atom: 570 51T-HG2 G2 1.09 ambi=1 { CG2:22.5 } :: atom: 612 55K-HB3 B 1.78 ambi=2 { CB:32.4 } atom: 570 51T-HG2 G2 1.09 ambi=1 { CG2:22.5 } ::sumAvg: 4.81 atom: 570 51T-HG2 G2 1.09 ambi=1 { CG2:22.5 } atom: 615 55K-QD D 1.69 ambi=2 { CD:29 } ::sumAvg: 4.755 atom: 615 55K-QD D 1.69 ambi=2 { CD:29 } atom: 570 51T-HG2 G2 1.09 ambi=1 { CG2:22.5 } ::sumAvg: 4.755 atom: 570 51T-HG2 G2 1.09 ambi=1 { CG2:22.5 } atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } ::sumAvg: 4.44 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } ::sumAvg: 4.61 atom: 611 55K-HB2 B 1.85 ambi=2 { CB:32.4 } atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } :: atom: 612 55K-HB3 B 1.78 ambi=2 { CB:32.4 } atom: 576 52N-H N 8.64 ambi=1 { N:119.8 } ::sumAvg: 4.94 atom: 577 52N-HA A 4.49 ambi=1 { CA:54.6 } atom: 609 55K-H N 8.08 ambi=1 { N:122.2 } ::sumAvg: 3.465 atom: 577 52N-HA A 4.49 ambi=1 { CA:54.6 } atom: 611 55K-HB2 B 1.85 ambi=2 { CB:32.4 } :: atom: 577 52N-HA A 4.49 ambi=1 { CA:54.6 } atom: 612 55K-HB3 B 1.78 ambi=2 { CB:32.4 } ::sumAvg: 2.59 atom: 611 55K-HB2 B 1.85 ambi=2 { CB:32.4 } atom: 577 52N-HA A 4.49 ambi=1 { CA:54.6 } :: atom: 612 55K-HB3 B 1.78 ambi=2 { CB:32.4 } atom: 577 52N-HA A 4.49 ambi=1 { CA:54.6 } ::sumAvg: 2.59 atom: 613 55K-HG2 G 1.46 ambi=2 { CG:24.9 } atom: 577 52N-HA A 4.49 ambi=1 { CA:54.6 } :: atom: 614 55K-HG3 G 1.37 ambi=2 { CG:24.9 } atom: 577 52N-HA A 4.49 ambi=1 { CA:54.6 } ::sumAvg: 4.375 atom: 577 52N-HA A 4.49 ambi=1 { CA:54.6 } atom: 615 55K-QD D 1.69 ambi=2 { CD:29 } ::sumAvg: 3.045 atom: 577 52N-HA A 4.49 ambi=1 { CA:54.6 } atom: 617 55K-QE E 3 ambi=2 { CE:42 } ::sumAvg: 4.895 atom: 617 55K-QE E 3 ambi=2 { CE:42 } atom: 577 52N-HA A 4.49 ambi=1 { CA:54.6 } ::sumAvg: 4.895 atom: 577 52N-HA A 4.49 ambi=1 { CA:54.6 } atom: 626 56N-H N 8.1 ambi=1 { N:117.6 } ::sumAvg: 4.985 atom: 578 52N-QB B 2.75 ambi=2 { CB:38 } atom: 588 53N-HA A 4.64 ambi=1 { CA:54.2 } ::sumAvg: 3.89 atom: 588 53N-HA A 4.64 ambi=1 { CA:54.2 } atom: 578 52N-QB B 2.75 ambi=2 { CB:38 } ::sumAvg: 3.89 atom: 578 52N-QB B 2.75 ambi=2 { CB:38 } atom: 609 55K-H N 8.08 ambi=1 { N:122.2 } ::sumAvg: 4.66 atom: 578 52N-QB B 2.75 ambi=2 { CB:38 } atom: 611 55K-HB2 B 1.85 ambi=2 { CB:32.4 } :: atom: 578 52N-QB B 2.75 ambi=2 { CB:38 } atom: 612 55K-HB3 B 1.78 ambi=2 { CB:32.4 } ::sumAvg: 4.155 atom: 611 55K-HB2 B 1.85 ambi=2 { CB:32.4 } atom: 578 52N-QB B 2.75 ambi=2 { CB:38 } :: atom: 612 55K-HB3 B 1.78 ambi=2 { CB:32.4 } atom: 578 52N-QB B 2.75 ambi=2 { CB:38 } ::sumAvg: 4.155 atom: 578 52N-QB B 2.75 ambi=2 { CB:38 } atom: 615 55K-QD D 1.69 ambi=2 { CD:29 } ::sumAvg: 3.97 atom: 615 55K-QD D 1.69 ambi=2 { CD:29 } atom: 578 52N-QB B 2.75 ambi=2 { CB:38 } ::sumAvg: 3.97 atom: 611 55K-HB2 B 1.85 ambi=2 { CB:32.4 } atom: 587 53N-H N 7.56 ambi=1 { N:117.5 } :: atom: 612 55K-HB3 B 1.78 ambi=2 { CB:32.4 } atom: 587 53N-H N 7.56 ambi=1 { N:117.5 } ::sumAvg: 4.98 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 591 53N-HD21 D2 7.58 ambi=2 { ND2:113 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 591 53N-HD21 D2 7.58 ambi=2 { ND2:113 } :: atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 592 53N-HD22 D2 6.95 ambi=2 { ND2:113 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 592 53N-HD22 D2 6.95 ambi=2 { ND2:113 } ::sumAvg: 4.97 atom: 771 67K-HB2 B 1.87 ambi=2 { CB:32.2 } atom: 591 53N-HD21 D2 7.58 ambi=2 { ND2:113 } :: atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } atom: 591 53N-HD21 D2 7.58 ambi=2 { ND2:113 } :: atom: 771 67K-HB2 B 1.87 ambi=2 { CB:32.2 } atom: 592 53N-HD22 D2 6.95 ambi=2 { ND2:113 } :: atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } atom: 592 53N-HD22 D2 6.95 ambi=2 { ND2:113 } ::sumAvg: 4.735 atom: 775 67K-HD2 D 1.54 ambi=2 { CD:29.3 } atom: 591 53N-HD21 D2 7.58 ambi=2 { ND2:113 } :: atom: 776 67K-HD3 D 1.69 ambi=2 { CD:29.3 } atom: 591 53N-HD21 D2 7.58 ambi=2 { ND2:113 } :: atom: 775 67K-HD2 D 1.54 ambi=2 { CD:29.3 } atom: 592 53N-HD22 D2 6.95 ambi=2 { ND2:113 } :: atom: 776 67K-HD3 D 1.69 ambi=2 { CD:29.3 } atom: 592 53N-HD22 D2 6.95 ambi=2 { ND2:113 } ::sumAvg: 4.55 atom: 599 54V-HA A 3.77 ambi=1 { CA:63.3 } atom: 639 57K-HB2 B 1.95 ambi=2 { CB:32.3 } :: atom: 599 54V-HA A 3.77 ambi=1 { CA:63.3 } atom: 640 57K-HB3 B 1.87 ambi=2 { CB:32.3 } ::sumAvg: 4.175 atom: 599 54V-HA A 3.77 ambi=1 { CA:63.3 } atom: 637 57K-H N 8.29 ambi=1 { N:119.1 } ::sumAvg: 3.96 atom: 643 57K-QD D 1.69 ambi=2 { CD:28.8 } atom: 599 54V-HA A 3.77 ambi=1 { CA:63.3 } ::sumAvg: 4.995 atom: 599 54V-HA A 3.77 ambi=1 { CA:63.3 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 599 54V-HA A 3.77 ambi=1 { CA:63.3 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } ::sumAvg: 4.945 atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 599 54V-HA A 3.77 ambi=1 { CA:63.3 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 599 54V-HA A 3.77 ambi=1 { CA:63.3 } ::sumAvg: 4.945 atom: 599 54V-HA A 3.77 ambi=1 { CA:63.3 } atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } :: atom: 599 54V-HA A 3.77 ambi=1 { CA:63.3 } atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } ::sumAvg: 3.36 atom: 600 54V-HB B 1.7 ambi=1 { CB:31.8 } atom: 610 55K-HA A 4.15 ambi=1 { CA:57.3 } ::sumAvg: 4.645 atom: 600 54V-HB B 1.7 ambi=1 { CB:31.8 } atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } ::sumAvg: 4.69 atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } atom: 600 54V-HB B 1.7 ambi=1 { CB:31.8 } ::sumAvg: 4.69 atom: 600 54V-HB B 1.7 ambi=1 { CB:31.8 } atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } ::sumAvg: 4.39 atom: 600 54V-HB B 1.7 ambi=1 { CB:31.8 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 600 54V-HB B 1.7 ambi=1 { CB:31.8 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } ::sumAvg: 4.925 atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 600 54V-HB B 1.7 ambi=1 { CB:31.8 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 600 54V-HB B 1.7 ambi=1 { CB:31.8 } ::sumAvg: 4.925 atom: 611 55K-HB2 B 1.85 ambi=2 { CB:32.4 } atom: 598 54V-H N 7.52 ambi=1 { N:119.4 } :: atom: 612 55K-HB3 B 1.78 ambi=2 { CB:32.4 } atom: 598 54V-H N 7.52 ambi=1 { N:119.4 } ::sumAvg: 4.44 atom: 638 57K-HA A 4.27 ambi=1 { CA:56.7 } atom: 645 57K-QE E 3.01 ambi=2 { CE:42.2 } ::sumAvg: 4.405 atom: 645 57K-QE E 3.01 ambi=2 { CE:42.2 } atom: 638 57K-HA A 4.27 ambi=1 { CA:56.7 } ::sumAvg: 4.405 atom: 638 57K-HA A 4.27 ambi=1 { CA:56.7 } atom: 660 59R-H N 7.86 ambi=1 { N:119.1 } ::sumAvg: 4.875 atom: 639 57K-HB2 B 1.95 ambi=2 { CB:32.3 } atom: 645 57K-QE E 3.01 ambi=2 { CE:42.2 } :: atom: 640 57K-HB3 B 1.87 ambi=2 { CB:32.3 } atom: 645 57K-QE E 3.01 ambi=2 { CE:42.2 } ::sumAvg: 3.945 atom: 645 57K-QE E 3.01 ambi=2 { CE:42.2 } atom: 639 57K-HB2 B 1.95 ambi=2 { CB:32.3 } :: atom: 645 57K-QE E 3.01 ambi=2 { CE:42.2 } atom: 640 57K-HB3 B 1.87 ambi=2 { CB:32.3 } ::sumAvg: 3.945 atom: 655 58G-HA2 A 4.02 ambi=2 { CA:45.4 } atom: 639 57K-HB2 B 1.95 ambi=2 { CB:32.3 } :: atom: 656 58G-HA3 A 3.95 ambi=2 { CA:45.4 } atom: 639 57K-HB2 B 1.95 ambi=2 { CB:32.3 } :: atom: 655 58G-HA2 A 4.02 ambi=2 { CA:45.4 } atom: 640 57K-HB3 B 1.87 ambi=2 { CB:32.3 } :: atom: 656 58G-HA3 A 3.95 ambi=2 { CA:45.4 } atom: 640 57K-HB3 B 1.87 ambi=2 { CB:32.3 } ::sumAvg: 4.58 atom: 639 57K-HB2 B 1.95 ambi=2 { CB:32.3 } atom: 660 59R-H N 7.86 ambi=1 { N:119.1 } :: atom: 640 57K-HB3 B 1.87 ambi=2 { CB:32.3 } atom: 660 59R-H N 7.86 ambi=1 { N:119.1 } ::sumAvg: 4.73 atom: 639 57K-HB2 B 1.95 ambi=2 { CB:32.3 } atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } :: atom: 639 57K-HB2 B 1.95 ambi=2 { CB:32.3 } atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } :: atom: 640 57K-HB3 B 1.87 ambi=2 { CB:32.3 } atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } :: atom: 640 57K-HB3 B 1.87 ambi=2 { CB:32.3 } atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } ::sumAvg: 4.02 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 639 57K-HB2 B 1.95 ambi=2 { CB:32.3 } :: atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 640 57K-HB3 B 1.87 ambi=2 { CB:32.3 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 639 57K-HB2 B 1.95 ambi=2 { CB:32.3 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 640 57K-HB3 B 1.87 ambi=2 { CB:32.3 } ::sumAvg: 4.955 atom: 639 57K-HB2 B 1.95 ambi=2 { CB:32.3 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 640 57K-HB3 B 1.87 ambi=2 { CB:32.3 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 639 57K-HB2 B 1.95 ambi=2 { CB:32.3 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } :: atom: 640 57K-HB3 B 1.87 ambi=2 { CB:32.3 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 4.955 atom: 610 55K-HA A 4.15 ambi=1 { CA:57.3 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 610 55K-HA A 4.15 ambi=1 { CA:57.3 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 3.43 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 611 55K-HB2 B 1.85 ambi=2 { CB:32.4 } :: atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 612 55K-HB3 B 1.78 ambi=2 { CB:32.4 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 611 55K-HB2 B 1.85 ambi=2 { CB:32.4 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 612 55K-HB3 B 1.78 ambi=2 { CB:32.4 } ::sumAvg: 4.165 atom: 611 55K-HB2 B 1.85 ambi=2 { CB:32.4 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 612 55K-HB3 B 1.78 ambi=2 { CB:32.4 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 611 55K-HB2 B 1.85 ambi=2 { CB:32.4 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } :: atom: 612 55K-HB3 B 1.78 ambi=2 { CB:32.4 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 4.165 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 613 55K-HG2 G 1.46 ambi=2 { CG:24.9 } :: atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 614 55K-HG3 G 1.37 ambi=2 { CG:24.9 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 613 55K-HG2 G 1.46 ambi=2 { CG:24.9 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 614 55K-HG3 G 1.37 ambi=2 { CG:24.9 } ::sumAvg: 4.615 atom: 613 55K-HG2 G 1.46 ambi=2 { CG:24.9 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 614 55K-HG3 G 1.37 ambi=2 { CG:24.9 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 613 55K-HG2 G 1.46 ambi=2 { CG:24.9 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } :: atom: 614 55K-HG3 G 1.37 ambi=2 { CG:24.9 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 4.615 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 661 59R-HA A 4.48 ambi=1 { CA:55.7 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 661 59R-HA A 4.48 ambi=1 { CA:55.7 } ::sumAvg: 4.57 atom: 661 59R-HA A 4.48 ambi=1 { CA:55.7 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 661 59R-HA A 4.48 ambi=1 { CA:55.7 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 4.57 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 674 60W-H N 8.87 ambi=1 { N:123.4 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 674 60W-H N 8.87 ambi=1 { N:123.4 } ::sumAvg: 4.825 atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 3.62 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } ::sumAvg: 3.865 atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 3.865 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } ::sumAvg: 4.18 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } ::sumAvg: 3.84 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 682 60W-HZ3 Z3 6.58 ambi=1 { CZ3:119.9 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 682 60W-HZ3 Z3 6.58 ambi=1 { CZ3:119.9 } ::sumAvg: 4.24 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 683 60W-HH2 H2 6.91 ambi=1 { CH2:123.1 } ::sumAvg: 3.545 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } ::sumAvg: 3.97 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } ::sumAvg: 4.075 atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 4.075 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } ::sumAvg: 3.015 atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 3.015 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } :: atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } ::sumAvg: 3.16 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 4.38 atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 4.38 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } ::sumAvg: 4.79 atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 4.79 atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } :: atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 4.285 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 601 54V-HG1 G1 0.17 ambi=2 { CG1:19.9 } :: atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 602 54V-HG2 G2 0.31 ambi=2 { CG2:20.3 } ::sumAvg: 4.285 atom: 613 55K-HG2 G 1.46 ambi=2 { CG:24.9 } atom: 609 55K-H N 8.08 ambi=1 { N:122.2 } :: atom: 614 55K-HG3 G 1.37 ambi=2 { CG:24.9 } atom: 609 55K-H N 8.08 ambi=1 { N:122.2 } ::sumAvg: 3.37 atom: 615 55K-QD D 1.69 ambi=2 { CD:29 } atom: 609 55K-H N 8.08 ambi=1 { N:122.2 } ::sumAvg: 4.115 atom: 610 55K-HA A 4.15 ambi=1 { CA:57.3 } atom: 617 55K-QE E 3 ambi=2 { CE:42 } ::sumAvg: 4.965 atom: 617 55K-QE E 3 ambi=2 { CE:42 } atom: 610 55K-HA A 4.15 ambi=1 { CA:57.3 } ::sumAvg: 4.965 atom: 610 55K-HA A 4.15 ambi=1 { CA:57.3 } atom: 627 56N-HA A 4.62 ambi=1 { CA:54 } ::sumAvg: 4.745 atom: 627 56N-HA A 4.62 ambi=1 { CA:54 } atom: 610 55K-HA A 4.15 ambi=1 { CA:57.3 } ::sumAvg: 4.745 atom: 611 55K-HB2 B 1.85 ambi=2 { CB:32.4 } atom: 617 55K-QE E 3 ambi=2 { CE:42 } :: atom: 612 55K-HB3 B 1.78 ambi=2 { CB:32.4 } atom: 617 55K-QE E 3 ambi=2 { CE:42 } ::sumAvg: 3.965 atom: 617 55K-QE E 3 ambi=2 { CE:42 } atom: 611 55K-HB2 B 1.85 ambi=2 { CB:32.4 } :: atom: 617 55K-QE E 3 ambi=2 { CE:42 } atom: 612 55K-HB3 B 1.78 ambi=2 { CB:32.4 } ::sumAvg: 3.965 atom: 611 55K-HB2 B 1.85 ambi=2 { CB:32.4 } atom: 627 56N-HA A 4.62 ambi=1 { CA:54 } :: atom: 612 55K-HB3 B 1.78 ambi=2 { CB:32.4 } atom: 627 56N-HA A 4.62 ambi=1 { CA:54 } ::sumAvg: 4.49 atom: 613 55K-HG2 G 1.46 ambi=2 { CG:24.9 } atom: 626 56N-H N 8.1 ambi=1 { N:117.6 } :: atom: 614 55K-HG3 G 1.37 ambi=2 { CG:24.9 } atom: 626 56N-H N 8.1 ambi=1 { N:117.6 } ::sumAvg: 3.865 atom: 613 55K-HG2 G 1.46 ambi=2 { CG:24.9 } atom: 627 56N-HA A 4.62 ambi=1 { CA:54 } :: atom: 614 55K-HG3 G 1.37 ambi=2 { CG:24.9 } atom: 627 56N-HA A 4.62 ambi=1 { CA:54 } ::sumAvg: 4.905 atom: 615 55K-QD D 1.69 ambi=2 { CD:29 } atom: 617 55K-QE E 3 ambi=2 { CE:42 } ::sumAvg: 2.095 atom: 617 55K-QE E 3 ambi=2 { CE:42 } atom: 615 55K-QD D 1.69 ambi=2 { CD:29 } ::sumAvg: 2.095 atom: 638 57K-HA A 4.27 ambi=1 { CA:56.7 } atom: 626 56N-H N 8.1 ambi=1 { N:117.6 } ::sumAvg: 4.915 atom: 627 56N-HA A 4.62 ambi=1 { CA:54 } atom: 630 56N-HD21 D2 7.63 ambi=2 { ND2:112.8 } :: atom: 627 56N-HA A 4.62 ambi=1 { CA:54 } atom: 631 56N-HD22 D2 6.92 ambi=2 { ND2:112.8 } ::sumAvg: 4.4 atom: 641 57K-HG2 G 1.49 ambi=2 { CG:25 } atom: 627 56N-HA A 4.62 ambi=1 { CA:54 } :: atom: 642 57K-HG3 G 1.47 ambi=2 { CG:25 } atom: 627 56N-HA A 4.62 ambi=1 { CA:54 } ::sumAvg: 4.955 atom: 628 56N-HB2 B 2.89 ambi=2 { CB:38.8 } atom: 638 57K-HA A 4.27 ambi=1 { CA:56.7 } :: atom: 629 56N-HB3 B 2.82 ambi=2 { CB:38.8 } atom: 638 57K-HA A 4.27 ambi=1 { CA:56.7 } ::sumAvg: 4.105 atom: 638 57K-HA A 4.27 ambi=1 { CA:56.7 } atom: 628 56N-HB2 B 2.89 ambi=2 { CB:38.8 } :: atom: 638 57K-HA A 4.27 ambi=1 { CA:56.7 } atom: 629 56N-HB3 B 2.82 ambi=2 { CB:38.8 } ::sumAvg: 4.105 atom: 628 56N-HB2 B 2.89 ambi=2 { CB:38.8 } atom: 639 57K-HB2 B 1.95 ambi=2 { CB:32.3 } :: atom: 628 56N-HB2 B 2.89 ambi=2 { CB:38.8 } atom: 640 57K-HB3 B 1.87 ambi=2 { CB:32.3 } :: atom: 629 56N-HB3 B 2.82 ambi=2 { CB:38.8 } atom: 639 57K-HB2 B 1.95 ambi=2 { CB:32.3 } :: atom: 629 56N-HB3 B 2.82 ambi=2 { CB:38.8 } atom: 640 57K-HB3 B 1.87 ambi=2 { CB:32.3 } ::sumAvg: 4.73 atom: 639 57K-HB2 B 1.95 ambi=2 { CB:32.3 } atom: 628 56N-HB2 B 2.89 ambi=2 { CB:38.8 } :: atom: 640 57K-HB3 B 1.87 ambi=2 { CB:32.3 } atom: 628 56N-HB2 B 2.89 ambi=2 { CB:38.8 } :: atom: 639 57K-HB2 B 1.95 ambi=2 { CB:32.3 } atom: 629 56N-HB3 B 2.82 ambi=2 { CB:38.8 } :: atom: 640 57K-HB3 B 1.87 ambi=2 { CB:32.3 } atom: 629 56N-HB3 B 2.82 ambi=2 { CB:38.8 } ::sumAvg: 4.73 atom: 628 56N-HB2 B 2.89 ambi=2 { CB:38.8 } atom: 641 57K-HG2 G 1.49 ambi=2 { CG:25 } :: atom: 628 56N-HB2 B 2.89 ambi=2 { CB:38.8 } atom: 642 57K-HG3 G 1.47 ambi=2 { CG:25 } :: atom: 629 56N-HB3 B 2.82 ambi=2 { CB:38.8 } atom: 641 57K-HG2 G 1.49 ambi=2 { CG:25 } :: atom: 629 56N-HB3 B 2.82 ambi=2 { CB:38.8 } atom: 642 57K-HG3 G 1.47 ambi=2 { CG:25 } ::sumAvg: 3.125 atom: 628 56N-HB2 B 2.89 ambi=2 { CB:38.8 } atom: 643 57K-QD D 1.69 ambi=2 { CD:28.8 } :: atom: 629 56N-HB3 B 2.82 ambi=2 { CB:38.8 } atom: 643 57K-QD D 1.69 ambi=2 { CD:28.8 } ::sumAvg: 4.635 atom: 643 57K-QD D 1.69 ambi=2 { CD:28.8 } atom: 628 56N-HB2 B 2.89 ambi=2 { CB:38.8 } :: atom: 643 57K-QD D 1.69 ambi=2 { CD:28.8 } atom: 629 56N-HB3 B 2.82 ambi=2 { CB:38.8 } ::sumAvg: 4.635 atom: 641 57K-HG2 G 1.49 ambi=2 { CG:25 } atom: 630 56N-HD21 D2 7.63 ambi=2 { ND2:112.8 } :: atom: 642 57K-HG3 G 1.47 ambi=2 { CG:25 } atom: 630 56N-HD21 D2 7.63 ambi=2 { ND2:112.8 } :: atom: 641 57K-HG2 G 1.49 ambi=2 { CG:25 } atom: 631 56N-HD22 D2 6.92 ambi=2 { ND2:112.8 } :: atom: 642 57K-HG3 G 1.47 ambi=2 { CG:25 } atom: 631 56N-HD22 D2 6.92 ambi=2 { ND2:112.8 } ::sumAvg: 4.44 atom: 645 57K-QE E 3.01 ambi=2 { CE:42.2 } atom: 637 57K-H N 8.29 ambi=1 { N:119.1 } ::sumAvg: 4.85 atom: 643 57K-QD D 1.69 ambi=2 { CD:28.8 } atom: 637 57K-H N 8.29 ambi=1 { N:119.1 } ::sumAvg: 3.895 atom: 643 57K-QD D 1.69 ambi=2 { CD:28.8 } atom: 645 57K-QE E 3.01 ambi=2 { CE:42.2 } ::sumAvg: 2.045 atom: 645 57K-QE E 3.01 ambi=2 { CE:42.2 } atom: 643 57K-QD D 1.69 ambi=2 { CD:28.8 } ::sumAvg: 2.045 atom: 643 57K-QD D 1.69 ambi=2 { CD:28.8 } atom: 654 58G-H N 8.32 ambi=1 { N:108.4 } ::sumAvg: 4.61 atom: 643 57K-QD D 1.69 ambi=2 { CD:28.8 } atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } :: atom: 643 57K-QD D 1.69 ambi=2 { CD:28.8 } atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } ::sumAvg: 4.995 atom: 662 59R-HB2 B 1.87 ambi=2 { CB:31 } atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } :: atom: 663 59R-HB3 B 1.77 ambi=2 { CB:31 } atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } ::sumAvg: 4.925 atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } atom: 662 59R-HB2 B 1.87 ambi=2 { CB:31 } :: atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } atom: 663 59R-HB3 B 1.77 ambi=2 { CB:31 } ::sumAvg: 4.925 atom: 662 59R-HB2 B 1.87 ambi=2 { CB:31 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 662 59R-HB2 B 1.87 ambi=2 { CB:31 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } :: atom: 663 59R-HB3 B 1.77 ambi=2 { CB:31 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 663 59R-HB3 B 1.77 ambi=2 { CB:31 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } ::sumAvg: 4.945 atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 662 59R-HB2 B 1.87 ambi=2 { CB:31 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 662 59R-HB2 B 1.87 ambi=2 { CB:31 } :: atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 663 59R-HB3 B 1.77 ambi=2 { CB:31 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 663 59R-HB3 B 1.77 ambi=2 { CB:31 } ::sumAvg: 4.945 atom: 662 59R-HB2 B 1.87 ambi=2 { CB:31 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } :: atom: 663 59R-HB3 B 1.77 ambi=2 { CB:31 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } ::sumAvg: 4.58 atom: 661 59R-HA A 4.48 ambi=1 { CA:55.7 } atom: 654 58G-H N 8.32 ambi=1 { N:108.4 } ::sumAvg: 4.92 atom: 655 58G-HA2 A 4.02 ambi=2 { CA:45.4 } atom: 662 59R-HB2 B 1.87 ambi=2 { CB:31 } :: atom: 655 58G-HA2 A 4.02 ambi=2 { CA:45.4 } atom: 663 59R-HB3 B 1.77 ambi=2 { CB:31 } :: atom: 656 58G-HA3 A 3.95 ambi=2 { CA:45.4 } atom: 662 59R-HB2 B 1.87 ambi=2 { CB:31 } :: atom: 656 58G-HA3 A 3.95 ambi=2 { CA:45.4 } atom: 663 59R-HB3 B 1.77 ambi=2 { CB:31 } ::sumAvg: 4.56 atom: 655 58G-HA2 A 4.02 ambi=2 { CA:45.4 } atom: 661 59R-HA A 4.48 ambi=1 { CA:55.7 } :: atom: 656 58G-HA3 A 3.95 ambi=2 { CA:45.4 } atom: 661 59R-HA A 4.48 ambi=1 { CA:55.7 } ::sumAvg: 4.49 atom: 661 59R-HA A 4.48 ambi=1 { CA:55.7 } atom: 655 58G-HA2 A 4.02 ambi=2 { CA:45.4 } :: atom: 661 59R-HA A 4.48 ambi=1 { CA:55.7 } atom: 656 58G-HA3 A 3.95 ambi=2 { CA:45.4 } ::sumAvg: 4.49 atom: 655 58G-HA2 A 4.02 ambi=2 { CA:45.4 } atom: 664 59R-QG G 1.48 ambi=2 { CG:26.4 } :: atom: 656 58G-HA3 A 3.95 ambi=2 { CA:45.4 } atom: 664 59R-QG G 1.48 ambi=2 { CG:26.4 } ::sumAvg: 4.58 atom: 661 59R-HA A 4.48 ambi=1 { CA:55.7 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 661 59R-HA A 4.48 ambi=1 { CA:55.7 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } ::sumAvg: 4.73 atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 661 59R-HA A 4.48 ambi=1 { CA:55.7 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 661 59R-HA A 4.48 ambi=1 { CA:55.7 } ::sumAvg: 4.73 atom: 661 59R-HA A 4.48 ambi=1 { CA:55.7 } atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } ::sumAvg: 4.985 atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } atom: 698 61K-HG2 G 1.58 ambi=2 { CG:25.1 } :: atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } atom: 699 61K-HG3 G 1.66 ambi=2 { CG:25.1 } ::sumAvg: 2.79 atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } atom: 702 61K-QE E 2.93 ambi=2 { CE:41.7 } ::sumAvg: 4.33 atom: 702 61K-QE E 2.93 ambi=2 { CE:41.7 } atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } ::sumAvg: 4.33 atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } :: atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } atom: 700 61K-HD2 D 1.66 ambi=2 { CD:28.8 } ::sumAvg: 3.22 atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } :: atom: 700 61K-HD2 D 1.66 ambi=2 { CD:28.8 } atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } ::sumAvg: 3.22 atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } ::sumAvg: 2.86 atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } atom: 712 62S-HA A 4.11 ambi=1 { CA:62.6 } ::sumAvg: 4.475 atom: 712 62S-HA A 4.11 ambi=1 { CA:62.6 } atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } ::sumAvg: 4.475 atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } atom: 713 62S-HB2 B 4.29 ambi=2 { CB:62.6 } ::sumAvg: 4.505 atom: 713 62S-HB2 B 4.29 ambi=2 { CB:62.6 } atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } ::sumAvg: 4.505 atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } atom: 719 63E-H N 9.53 ambi=1 { N:120.9 } ::sumAvg: 4.82 atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 4.24 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } ::sumAvg: 4.24 atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } atom: 698 61K-HG2 G 1.58 ambi=2 { CG:25.1 } :: atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } atom: 699 61K-HG3 G 1.66 ambi=2 { CG:25.1 } ::sumAvg: 2.425 atom: 698 61K-HG2 G 1.58 ambi=2 { CG:25.1 } atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } :: atom: 699 61K-HG3 G 1.66 ambi=2 { CG:25.1 } atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } ::sumAvg: 2.425 atom: 696 61K-HB2 B 1.84 ambi=2 { CB:33.6 } atom: 702 61K-QE E 2.93 ambi=2 { CE:41.7 } :: atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } atom: 702 61K-QE E 2.93 ambi=2 { CE:41.7 } ::sumAvg: 3.935 atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } :: atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } atom: 700 61K-HD2 D 1.66 ambi=2 { CD:28.8 } ::sumAvg: 2.46 atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } :: atom: 700 61K-HD2 D 1.66 ambi=2 { CD:28.8 } atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } ::sumAvg: 2.46 atom: 696 61K-HB2 B 1.84 ambi=2 { CB:33.6 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } :: atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } ::sumAvg: 3.005 atom: 696 61K-HB2 B 1.84 ambi=2 { CB:33.6 } atom: 719 63E-H N 9.53 ambi=1 { N:120.9 } :: atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } atom: 719 63E-H N 9.53 ambi=1 { N:120.9 } ::sumAvg: 3.43 atom: 696 61K-HB2 B 1.84 ambi=2 { CB:33.6 } atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } :: atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } ::sumAvg: 3.405 atom: 696 61K-HB2 B 1.84 ambi=2 { CB:33.6 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 696 61K-HB2 B 1.84 ambi=2 { CB:33.6 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } :: atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } ::sumAvg: 3.795 atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 696 61K-HB2 B 1.84 ambi=2 { CB:33.6 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 696 61K-HB2 B 1.84 ambi=2 { CB:33.6 } :: atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } ::sumAvg: 3.795 atom: 696 61K-HB2 B 1.84 ambi=2 { CB:33.6 } atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } :: atom: 696 61K-HB2 B 1.84 ambi=2 { CB:33.6 } atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } :: atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } :: atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } ::sumAvg: 3.895 atom: 696 61K-HB2 B 1.84 ambi=2 { CB:33.6 } atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } :: atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } ::sumAvg: 4.88 atom: 664 59R-QG G 1.48 ambi=2 { CG:26.4 } atom: 674 60W-H N 8.87 ambi=1 { N:123.4 } ::sumAvg: 3.505 atom: 666 59R-QD D 3.19 ambi=2 { CD:43.4 } atom: 674 60W-H N 8.87 ambi=1 { N:123.4 } ::sumAvg: 4.125 atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } atom: 696 61K-HB2 B 1.84 ambi=2 { CB:33.6 } :: atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } ::sumAvg: 4.605 atom: 696 61K-HB2 B 1.84 ambi=2 { CB:33.6 } atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } :: atom: 697 61K-HB3 B 2.27 ambi=2 { CB:33.6 } atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } ::sumAvg: 4.605 atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } ::sumAvg: 3.225 atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } ::sumAvg: 3.875 atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } ::sumAvg: 3.51 atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } :: atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } ::sumAvg: 3.505 atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 4.775 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } ::sumAvg: 4.775 atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } ::sumAvg: 4.375 atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } atom: 675 60W-HA A 4.65 ambi=1 { CA:56.9 } ::sumAvg: 4.375 atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } ::sumAvg: 4.67 atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 695 61K-HA A 4.71 ambi=1 { CA:47.2 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } ::sumAvg: 4.67 atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } ::sumAvg: 2.925 atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } ::sumAvg: 4.95 atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } ::sumAvg: 2.645 atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 682 60W-HZ3 Z3 6.58 ambi=1 { CZ3:119.9 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 682 60W-HZ3 Z3 6.58 ambi=1 { CZ3:119.9 } ::sumAvg: 4.99 atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } ::sumAvg: 3.46 atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } ::sumAvg: 4.89 atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } ::sumAvg: 3.745 atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } ::sumAvg: 3.745 atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } :: atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } ::sumAvg: 4.675 atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } ::sumAvg: 4.83 atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 3.085 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } ::sumAvg: 3.085 atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } :: atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } ::sumAvg: 3.195 atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } atom: 676 60W-HB2 B 3.08 ambi=2 { CB:29 } :: atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } atom: 677 60W-HB3 B 3.1 ambi=2 { CB:29 } ::sumAvg: 3.195 atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } atom: 678 60W-HD1 D1 7.31 ambi=1 { CD1:125.7 } ::sumAvg: 4.745 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 679 60W-HE1 E1 10.3 ambi=1 { NE1:130.2 } ::sumAvg: 4.21 atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } ::sumAvg: 4.61 atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } atom: 680 60W-HE3 E3 7.16 ambi=1 { CE3:119.7 } ::sumAvg: 4.47 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 681 60W-HZ2 Z2 7.47 ambi=1 { CZ2:114.2 } ::sumAvg: 4.86 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 682 60W-HZ3 Z3 6.58 ambi=1 { CZ3:119.9 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 682 60W-HZ3 Z3 6.58 ambi=1 { CZ3:119.9 } ::sumAvg: 4.67 atom: 698 61K-HG2 G 1.58 ambi=2 { CG:25.1 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } :: atom: 699 61K-HG3 G 1.66 ambi=2 { CG:25.1 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } ::sumAvg: 3.615 atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } :: atom: 700 61K-HD2 D 1.66 ambi=2 { CD:28.8 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } ::sumAvg: 4.325 atom: 712 62S-HA A 4.11 ambi=1 { CA:62.6 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } ::sumAvg: 4.895 atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } ::sumAvg: 3.59 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } ::sumAvg: 4.37 atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } atom: 694 61K-H N 8.58 ambi=1 { N:122 } ::sumAvg: 4.07 atom: 698 61K-HG2 G 1.58 ambi=2 { CG:25.1 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } :: atom: 699 61K-HG3 G 1.66 ambi=2 { CG:25.1 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } ::sumAvg: 3.875 atom: 698 61K-HG2 G 1.58 ambi=2 { CG:25.1 } atom: 713 62S-HB2 B 4.29 ambi=2 { CB:62.6 } :: atom: 698 61K-HG2 G 1.58 ambi=2 { CG:25.1 } atom: 714 62S-HB3 B 4.35 ambi=2 { CB:62.6 } :: atom: 699 61K-HG3 G 1.66 ambi=2 { CG:25.1 } atom: 713 62S-HB2 B 4.29 ambi=2 { CB:62.6 } :: atom: 699 61K-HG3 G 1.66 ambi=2 { CG:25.1 } atom: 714 62S-HB3 B 4.35 ambi=2 { CB:62.6 } ::sumAvg: 4.955 atom: 713 62S-HB2 B 4.29 ambi=2 { CB:62.6 } atom: 698 61K-HG2 G 1.58 ambi=2 { CG:25.1 } :: atom: 714 62S-HB3 B 4.35 ambi=2 { CB:62.6 } atom: 698 61K-HG2 G 1.58 ambi=2 { CG:25.1 } :: atom: 713 62S-HB2 B 4.29 ambi=2 { CB:62.6 } atom: 699 61K-HG3 G 1.66 ambi=2 { CG:25.1 } :: atom: 714 62S-HB3 B 4.35 ambi=2 { CB:62.6 } atom: 699 61K-HG3 G 1.66 ambi=2 { CG:25.1 } ::sumAvg: 4.955 atom: 698 61K-HG2 G 1.58 ambi=2 { CG:25.1 } atom: 719 63E-H N 9.53 ambi=1 { N:120.9 } :: atom: 699 61K-HG3 G 1.66 ambi=2 { CG:25.1 } atom: 719 63E-H N 9.53 ambi=1 { N:120.9 } ::sumAvg: 4.23 atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } atom: 698 61K-HG2 G 1.58 ambi=2 { CG:25.1 } :: atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 698 61K-HG2 G 1.58 ambi=2 { CG:25.1 } :: atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } atom: 699 61K-HG3 G 1.66 ambi=2 { CG:25.1 } ::sumAvg: 4.505 atom: 698 61K-HG2 G 1.58 ambi=2 { CG:25.1 } atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } :: atom: 699 61K-HG3 G 1.66 ambi=2 { CG:25.1 } atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } ::sumAvg: 4.165 atom: 702 61K-QE E 2.93 ambi=2 { CE:41.7 } atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } :: atom: 702 61K-QE E 2.93 ambi=2 { CE:41.7 } atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } ::sumAvg: 4.985 atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } atom: 702 61K-QE E 2.93 ambi=2 { CE:41.7 } :: atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 702 61K-QE E 2.93 ambi=2 { CE:41.7 } ::sumAvg: 4.985 atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 702 61K-QE E 2.93 ambi=2 { CE:41.7 } :: atom: 700 61K-HD2 D 1.66 ambi=2 { CD:28.8 } atom: 702 61K-QE E 2.93 ambi=2 { CE:41.7 } ::sumAvg: 2.33 atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } :: atom: 700 61K-HD2 D 1.66 ambi=2 { CD:28.8 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } ::sumAvg: 4.49 atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 719 63E-H N 9.53 ambi=1 { N:120.9 } :: atom: 700 61K-HD2 D 1.66 ambi=2 { CD:28.8 } atom: 719 63E-H N 9.53 ambi=1 { N:120.9 } ::sumAvg: 4.96 atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } :: atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } :: atom: 700 61K-HD2 D 1.66 ambi=2 { CD:28.8 } atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } ::sumAvg: 4.635 atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } :: atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } :: atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } atom: 700 61K-HD2 D 1.66 ambi=2 { CD:28.8 } ::sumAvg: 4.635 atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } :: atom: 700 61K-HD2 D 1.66 ambi=2 { CD:28.8 } atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } ::sumAvg: 4.78 atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } :: atom: 701 61K-HD3 D 1.61 ambi=2 { CD:28.8 } atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } :: atom: 700 61K-HD2 D 1.66 ambi=2 { CD:28.8 } atom: 734 64N-HD21 D2 7.62 ambi=2 { ND2:112.1 } :: atom: 700 61K-HD2 D 1.66 ambi=2 { CD:28.8 } atom: 735 64N-HD22 D2 7 ambi=2 { ND2:112.1 } ::sumAvg: 4.8 atom: 742 65L-HA A 3.77 ambi=1 { CA:57.8 } atom: 769 67K-H N 7.99 ambi=1 { N:120.8 } ::sumAvg: 4.425 atom: 742 65L-HA A 3.77 ambi=1 { CA:57.8 } atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } ::sumAvg: 3.285 atom: 742 65L-HA A 3.77 ambi=1 { CA:57.8 } atom: 793 69S-H N 7.93 ambi=1 { N:112.7 } ::sumAvg: 4.015 atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } ::sumAvg: 2.48 atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } ::sumAvg: 2.48 atom: 756 66F-HA A 3.76 ambi=1 { CA:62.4 } atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } :: atom: 756 66F-HA A 3.76 ambi=1 { CA:62.4 } atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } ::sumAvg: 4.36 atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } :: atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } :: atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } :: atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } ::sumAvg: 4.57 atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } :: atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } :: atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } :: atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } ::sumAvg: 4.57 atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } :: atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } ::sumAvg: 2.69 atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } :: atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } ::sumAvg: 4.92 atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } :: atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 3.965 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } :: atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } ::sumAvg: 3.965 atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } :: atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } ::sumAvg: 4.91 atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } :: atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } ::sumAvg: 4.63 atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } :: atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } ::sumAvg: 4.945 atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } ::sumAvg: 4.745 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } ::sumAvg: 3.915 atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } atom: 711 62S-H N 9.31 ambi=1 { N:120.1 } ::sumAvg: 4.65 atom: 712 62S-HA A 4.11 ambi=1 { CA:62.6 } atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } :: atom: 712 62S-HA A 4.11 ambi=1 { CA:62.6 } atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } ::sumAvg: 2.835 atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } atom: 712 62S-HA A 4.11 ambi=1 { CA:62.6 } :: atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } atom: 712 62S-HA A 4.11 ambi=1 { CA:62.6 } ::sumAvg: 2.835 atom: 712 62S-HA A 4.11 ambi=1 { CA:62.6 } atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } ::sumAvg: 4.33 atom: 712 62S-HA A 4.11 ambi=1 { CA:62.6 } atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } ::sumAvg: 3.495 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 712 62S-HA A 4.11 ambi=1 { CA:62.6 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 712 62S-HA A 4.11 ambi=1 { CA:62.6 } ::sumAvg: 2.855 atom: 712 62S-HA A 4.11 ambi=1 { CA:62.6 } atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } ::sumAvg: 3.925 atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } atom: 712 62S-HA A 4.11 ambi=1 { CA:62.6 } ::sumAvg: 3.925 atom: 712 62S-HA A 4.11 ambi=1 { CA:62.6 } atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } ::sumAvg: 4.22 atom: 713 62S-HB2 B 4.29 ambi=2 { CB:62.6 } atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } :: atom: 713 62S-HB2 B 4.29 ambi=2 { CB:62.6 } atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } :: atom: 714 62S-HB3 B 4.35 ambi=2 { CB:62.6 } atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } :: atom: 714 62S-HB3 B 4.35 ambi=2 { CB:62.6 } atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } ::sumAvg: 4.83 atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } atom: 713 62S-HB2 B 4.29 ambi=2 { CB:62.6 } :: atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } atom: 713 62S-HB2 B 4.29 ambi=2 { CB:62.6 } :: atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } atom: 714 62S-HB3 B 4.35 ambi=2 { CB:62.6 } :: atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } atom: 714 62S-HB3 B 4.35 ambi=2 { CB:62.6 } ::sumAvg: 4.83 atom: 713 62S-HB2 B 4.29 ambi=2 { CB:62.6 } atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } :: atom: 713 62S-HB2 B 4.29 ambi=2 { CB:62.6 } atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } :: atom: 714 62S-HB3 B 4.35 ambi=2 { CB:62.6 } atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } :: atom: 714 62S-HB3 B 4.35 ambi=2 { CB:62.6 } atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } ::sumAvg: 4.83 atom: 713 62S-HB2 B 4.29 ambi=2 { CB:62.6 } atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } :: atom: 714 62S-HB3 B 4.35 ambi=2 { CB:62.6 } atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } ::sumAvg: 4.875 atom: 720 63E-HA A 4.25 ambi=1 { CA:59.9 } atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } ::sumAvg: 3.505 atom: 720 63E-HA A 4.25 ambi=1 { CA:59.9 } atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } ::sumAvg: 4.74 atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } atom: 720 63E-HA A 4.25 ambi=1 { CA:59.9 } ::sumAvg: 4.74 atom: 720 63E-HA A 4.25 ambi=1 { CA:59.9 } atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } ::sumAvg: 4.32 atom: 720 63E-HA A 4.25 ambi=1 { CA:59.9 } atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } :: atom: 720 63E-HA A 4.25 ambi=1 { CA:59.9 } atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } ::sumAvg: 2.655 atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } atom: 720 63E-HA A 4.25 ambi=1 { CA:59.9 } :: atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } atom: 720 63E-HA A 4.25 ambi=1 { CA:59.9 } ::sumAvg: 2.655 atom: 720 63E-HA A 4.25 ambi=1 { CA:59.9 } atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } ::sumAvg: 3.39 atom: 720 63E-HA A 4.25 ambi=1 { CA:59.9 } atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } ::sumAvg: 3.635 atom: 720 63E-HA A 4.25 ambi=1 { CA:59.9 } atom: 769 67K-H N 7.99 ambi=1 { N:120.8 } ::sumAvg: 3.83 atom: 720 63E-HA A 4.25 ambi=1 { CA:59.9 } atom: 773 67K-HG2 G 1.54 ambi=2 { CG:25.4 } :: atom: 720 63E-HA A 4.25 ambi=1 { CA:59.9 } atom: 774 67K-HG3 G 1.35 ambi=2 { CG:25.4 } ::sumAvg: 3.98 atom: 720 63E-HA A 4.25 ambi=1 { CA:59.9 } atom: 777 67K-HE2 E 2.93 ambi=2 { CE:42.1 } :: atom: 720 63E-HA A 4.25 ambi=1 { CA:59.9 } atom: 778 67K-HE3 E 2.86 ambi=2 { CE:42.1 } ::sumAvg: 4.53 atom: 777 67K-HE2 E 2.93 ambi=2 { CE:42.1 } atom: 720 63E-HA A 4.25 ambi=1 { CA:59.9 } :: atom: 778 67K-HE3 E 2.86 ambi=2 { CE:42.1 } atom: 720 63E-HA A 4.25 ambi=1 { CA:59.9 } ::sumAvg: 4.53 atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } :: atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } ::sumAvg: 4.35 atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } :: atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } ::sumAvg: 4.35 atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } :: atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } :: atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } :: atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } ::sumAvg: 4.665 atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } :: atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } :: atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } :: atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } ::sumAvg: 4.665 atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } atom: 773 67K-HG2 G 1.54 ambi=2 { CG:25.4 } :: atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } atom: 774 67K-HG3 G 1.35 ambi=2 { CG:25.4 } :: atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 773 67K-HG2 G 1.54 ambi=2 { CG:25.4 } :: atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 774 67K-HG3 G 1.35 ambi=2 { CG:25.4 } ::sumAvg: 4.58 atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } atom: 775 67K-HD2 D 1.54 ambi=2 { CD:29.3 } :: atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 775 67K-HD2 D 1.54 ambi=2 { CD:29.3 } ::sumAvg: 4.355 atom: 775 67K-HD2 D 1.54 ambi=2 { CD:29.3 } atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } :: atom: 775 67K-HD2 D 1.54 ambi=2 { CD:29.3 } atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } ::sumAvg: 4.355 atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } atom: 777 67K-HE2 E 2.93 ambi=2 { CE:42.1 } :: atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } atom: 778 67K-HE3 E 2.86 ambi=2 { CE:42.1 } :: atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 777 67K-HE2 E 2.93 ambi=2 { CE:42.1 } :: atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 778 67K-HE3 E 2.86 ambi=2 { CE:42.1 } ::sumAvg: 3.975 atom: 777 67K-HE2 E 2.93 ambi=2 { CE:42.1 } atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } :: atom: 778 67K-HE3 E 2.86 ambi=2 { CE:42.1 } atom: 721 63E-HB2 B 2.07 ambi=2 { CB:28.9 } :: atom: 777 67K-HE2 E 2.93 ambi=2 { CE:42.1 } atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } :: atom: 778 67K-HE3 E 2.86 ambi=2 { CE:42.1 } atom: 722 63E-HB3 B 2.02 ambi=2 { CB:28.9 } ::sumAvg: 3.975 atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } ::sumAvg: 4.6 atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } ::sumAvg: 4.6 atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } :: atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } ::sumAvg: 3.925 atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } :: atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } ::sumAvg: 3.925 atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } ::sumAvg: 4.36 atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } atom: 769 67K-H N 7.99 ambi=1 { N:120.8 } ::sumAvg: 4.925 atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } atom: 773 67K-HG2 G 1.54 ambi=2 { CG:25.4 } :: atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } atom: 774 67K-HG3 G 1.35 ambi=2 { CG:25.4 } ::sumAvg: 4.16 atom: 773 67K-HG2 G 1.54 ambi=2 { CG:25.4 } atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } :: atom: 774 67K-HG3 G 1.35 ambi=2 { CG:25.4 } atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } ::sumAvg: 4.16 atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } atom: 775 67K-HD2 D 1.54 ambi=2 { CD:29.3 } :: atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } atom: 776 67K-HD3 D 1.69 ambi=2 { CD:29.3 } ::sumAvg: 4.15 atom: 775 67K-HD2 D 1.54 ambi=2 { CD:29.3 } atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } :: atom: 776 67K-HD3 D 1.69 ambi=2 { CD:29.3 } atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } ::sumAvg: 4.15 atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } atom: 777 67K-HE2 E 2.93 ambi=2 { CE:42.1 } :: atom: 723 63E-QG G 2.33 ambi=2 { CG:35.8 } atom: 778 67K-HE3 E 2.86 ambi=2 { CE:42.1 } ::sumAvg: 3.56 atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } :: atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } ::sumAvg: 4.455 atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } atom: 730 64N-H N 7.6 ambi=1 { N:117.4 } ::sumAvg: 4.43 atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } atom: 742 65L-HA A 3.77 ambi=1 { CA:57.8 } ::sumAvg: 4.675 atom: 742 65L-HA A 3.77 ambi=1 { CA:57.8 } atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } ::sumAvg: 4.675 atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } ::sumAvg: 3.485 atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } atom: 769 67K-H N 7.99 ambi=1 { N:120.8 } ::sumAvg: 3.65 atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } atom: 771 67K-HB2 B 1.87 ambi=2 { CB:32.2 } :: atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } ::sumAvg: 2.96 atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } atom: 773 67K-HG2 G 1.54 ambi=2 { CG:25.4 } :: atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } atom: 774 67K-HG3 G 1.35 ambi=2 { CG:25.4 } ::sumAvg: 4.205 atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } atom: 775 67K-HD2 D 1.54 ambi=2 { CD:29.3 } :: atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } atom: 776 67K-HD3 D 1.69 ambi=2 { CD:29.3 } ::sumAvg: 3.345 atom: 775 67K-HD2 D 1.54 ambi=2 { CD:29.3 } atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } :: atom: 776 67K-HD3 D 1.69 ambi=2 { CD:29.3 } atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } ::sumAvg: 3.345 atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } ::sumAvg: 3.92 atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 4.47 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 731 64N-HA A 4.72 ambi=1 { CA:55.6 } ::sumAvg: 4.47 atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 742 65L-HA A 3.77 ambi=1 { CA:57.8 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 742 65L-HA A 3.77 ambi=1 { CA:57.8 } ::sumAvg: 4.31 atom: 742 65L-HA A 3.77 ambi=1 { CA:57.8 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 742 65L-HA A 3.77 ambi=1 { CA:57.8 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } ::sumAvg: 4.31 atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } :: atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } ::sumAvg: 4.945 atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 743 65L-HB2 B 1.9 ambi=2 { CB:41.4 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } :: atom: 744 65L-HB3 B 0.64 ambi=2 { CB:41.4 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } ::sumAvg: 4.945 atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } ::sumAvg: 4.38 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } ::sumAvg: 4.38 atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } ::sumAvg: 3.69 atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } ::sumAvg: 3.69 atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 771 67K-HB2 B 1.87 ambi=2 { CB:32.2 } :: atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 771 67K-HB2 B 1.87 ambi=2 { CB:32.2 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } ::sumAvg: 4.74 atom: 771 67K-HB2 B 1.87 ambi=2 { CB:32.2 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 771 67K-HB2 B 1.87 ambi=2 { CB:32.2 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } :: atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } ::sumAvg: 4.74 atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } ::sumAvg: 4.885 atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } :: atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 4.085 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 732 64N-HB2 B 2.94 ambi=2 { CB:39.4 } :: atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 733 64N-HB3 B 2.66 ambi=2 { CB:39.4 } ::sumAvg: 4.085 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } ::sumAvg: 3.585 atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } :: atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } ::sumAvg: 4.69 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 741 65L-H N 7.68 ambi=1 { N:121.6 } ::sumAvg: 4.345 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } ::sumAvg: 4.595 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } :: atom: 747 65L-HD2 D2 1.11 ambi=2 { CD2:26.5 } atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } ::sumAvg: 4.795 atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 3.07 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 746 65L-HD1 D1 0.53 ambi=2 { CD1:23.6 } ::sumAvg: 3.07 atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } ::sumAvg: 4.515 atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 4.545 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 745 65L-HG G 1.76 ambi=1 { CG:27.4 } ::sumAvg: 4.545 atom: 756 66F-HA A 3.76 ambi=1 { CA:62.4 } atom: 761 66F-QE E 6.53 ambi=3 { CE1:131.1 } ::sumAvg: 4.485 atom: 756 66F-HA A 3.76 ambi=1 { CA:62.4 } atom: 769 67K-H N 7.99 ambi=1 { N:120.8 } ::sumAvg: 3.515 atom: 756 66F-HA A 3.76 ambi=1 { CA:62.4 } atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } ::sumAvg: 4.27 atom: 756 66F-HA A 3.76 ambi=1 { CA:62.4 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 4.705 atom: 756 66F-HA A 3.76 ambi=1 { CA:62.4 } atom: 793 69S-H N 7.93 ambi=1 { N:112.7 } ::sumAvg: 3.47 atom: 756 66F-HA A 3.76 ambi=1 { CA:62.4 } atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } ::sumAvg: 4.535 atom: 756 66F-HA A 3.76 ambi=1 { CA:62.4 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } ::sumAvg: 4.83 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 756 66F-HA A 3.76 ambi=1 { CA:62.4 } ::sumAvg: 4.83 atom: 756 66F-HA A 3.76 ambi=1 { CA:62.4 } atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } ::sumAvg: 4.54 atom: 756 66F-HA A 3.76 ambi=1 { CA:62.4 } atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } ::sumAvg: 4.165 atom: 756 66F-HA A 3.76 ambi=1 { CA:62.4 } atom: 970 83W-HZ2 Z2 7.14 ambi=1 { CZ2:114.2 } ::sumAvg: 4.57 atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } atom: 761 66F-QE E 6.53 ambi=3 { CE1:131.1 } :: atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } atom: 761 66F-QE E 6.53 ambi=3 { CE1:131.1 } ::sumAvg: 4.38 atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } atom: 769 67K-H N 7.99 ambi=1 { N:120.8 } :: atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } atom: 769 67K-H N 7.99 ambi=1 { N:120.8 } ::sumAvg: 2.67 atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } :: atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } ::sumAvg: 4.435 atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } :: atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } ::sumAvg: 4.435 atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } atom: 771 67K-HB2 B 1.87 ambi=2 { CB:32.2 } :: atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } :: atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } atom: 771 67K-HB2 B 1.87 ambi=2 { CB:32.2 } :: atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } ::sumAvg: 4.76 atom: 771 67K-HB2 B 1.87 ambi=2 { CB:32.2 } atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } :: atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } :: atom: 771 67K-HB2 B 1.87 ambi=2 { CB:32.2 } atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } :: atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } ::sumAvg: 4.76 atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } atom: 773 67K-HG2 G 1.54 ambi=2 { CG:25.4 } :: atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } atom: 774 67K-HG3 G 1.35 ambi=2 { CG:25.4 } :: atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } atom: 773 67K-HG2 G 1.54 ambi=2 { CG:25.4 } :: atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } atom: 774 67K-HG3 G 1.35 ambi=2 { CG:25.4 } ::sumAvg: 3.505 atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } :: atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } ::sumAvg: 4.835 atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } :: atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } ::sumAvg: 4.485 atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } atom: 970 83W-HZ2 Z2 7.14 ambi=1 { CZ2:114.2 } :: atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } atom: 970 83W-HZ2 Z2 7.14 ambi=1 { CZ2:114.2 } ::sumAvg: 4.125 atom: 757 66F-HB2 B 3.06 ambi=2 { CB:38.9 } atom: 972 83W-HH2 H2 6.82 ambi=1 { CH2:123.8 } :: atom: 758 66F-HB3 B 3.04 ambi=2 { CB:38.9 } atom: 972 83W-HH2 H2 6.82 ambi=1 { CH2:123.8 } ::sumAvg: 4.92 atom: 773 67K-HG2 G 1.54 ambi=2 { CG:25.4 } atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } :: atom: 774 67K-HG3 G 1.35 ambi=2 { CG:25.4 } atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } ::sumAvg: 4.67 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 755 66F-H N 8.38 ambi=1 { N:117.1 } ::sumAvg: 4.39 atom: 880 76N-HA A 4.62 ambi=1 { CA:53.9 } atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } :: atom: 880 76N-HA A 4.62 ambi=1 { CA:53.9 } atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } ::sumAvg: 3.91 atom: 880 76N-HA A 4.62 ambi=1 { CA:53.9 } atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } ::sumAvg: 4.31 atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } atom: 880 76N-HA A 4.62 ambi=1 { CA:53.9 } ::sumAvg: 4.31 atom: 880 76N-HA A 4.62 ambi=1 { CA:53.9 } atom: 893 77T-HG2 G2 1.34 ambi=1 { CG2:22.2 } ::sumAvg: 3.54 atom: 880 76N-HA A 4.62 ambi=1 { CA:53.9 } atom: 899 78E-H N 8.37 ambi=1 { N:117.4 } ::sumAvg: 3.72 atom: 880 76N-HA A 4.62 ambi=1 { CA:53.9 } atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } ::sumAvg: 4.895 atom: 880 76N-HA A 4.62 ambi=1 { CA:53.9 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } ::sumAvg: 4.755 atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } atom: 880 76N-HA A 4.62 ambi=1 { CA:53.9 } ::sumAvg: 4.755 atom: 880 76N-HA A 4.62 ambi=1 { CA:53.9 } atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } ::sumAvg: 4.465 atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } atom: 880 76N-HA A 4.62 ambi=1 { CA:53.9 } ::sumAvg: 4.465 atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } :: atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } :: atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } :: atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } ::sumAvg: 2.21 atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } :: atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } ::sumAvg: 4.65 atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } :: atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } ::sumAvg: 4.65 atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } atom: 890 77T-H N 8.76 ambi=1 { N:119.5 } :: atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } atom: 890 77T-H N 8.76 ambi=1 { N:119.5 } ::sumAvg: 3.68 atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } atom: 899 78E-H N 8.37 ambi=1 { N:117.4 } :: atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } atom: 899 78E-H N 8.37 ambi=1 { N:117.4 } ::sumAvg: 3.31 atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } atom: 901 78E-HB2 B 1.95 ambi=2 { CB:30.1 } ::sumAvg: 3.925 atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } :: atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } ::sumAvg: 3.13 atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } :: atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } ::sumAvg: 4.77 atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } :: atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } ::sumAvg: 4.77 atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } atom: 912 79I-HB B 1.92 ambi=1 { CB:34.4 } ::sumAvg: 3.94 atom: 912 79I-HB B 1.92 ambi=1 { CB:34.4 } atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } ::sumAvg: 3.94 atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } :: atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } ::sumAvg: 2.2 atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } :: atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } ::sumAvg: 2.2 atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } :: atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } ::sumAvg: 4.84 atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } :: atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } :: atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } :: atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } ::sumAvg: 4.895 atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } :: atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.395 atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } :: atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 3.71 atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } ::sumAvg: 4.54 atom: 773 67K-HG2 G 1.54 ambi=2 { CG:25.4 } atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } :: atom: 774 67K-HG3 G 1.35 ambi=2 { CG:25.4 } atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } ::sumAvg: 3.89 atom: 809 70K-QE E 2.93 ambi=2 { CE:41.8 } atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } ::sumAvg: 4.8 atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } ::sumAvg: 4.65 atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 759 66F-QD D 7.35 ambi=3 { CD1:131.2 } ::sumAvg: 4.51 atom: 809 70K-QE E 2.93 ambi=2 { CE:41.8 } atom: 761 66F-QE E 6.53 ambi=3 { CE1:131.1 } ::sumAvg: 4.96 atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } atom: 761 66F-QE E 6.53 ambi=3 { CE1:131.1 } ::sumAvg: 4.545 atom: 987 84K-HG2 G 1.82 ambi=2 { CG:25.5 } atom: 761 66F-QE E 6.53 ambi=3 { CE1:131.1 } :: atom: 988 84K-HG3 G 1.59 ambi=2 { CG:25.5 } atom: 761 66F-QE E 6.53 ambi=3 { CE1:131.1 } ::sumAvg: 4.5 atom: 991 84K-QE E 2.93 ambi=2 { CE:41.8 } atom: 761 66F-QE E 6.53 ambi=3 { CE1:131.1 } ::sumAvg: 4.68 atom: 775 67K-HD2 D 1.54 ambi=2 { CD:29.3 } atom: 769 67K-H N 7.99 ambi=1 { N:120.8 } :: atom: 776 67K-HD3 D 1.69 ambi=2 { CD:29.3 } atom: 769 67K-H N 7.99 ambi=1 { N:120.8 } ::sumAvg: 4.025 atom: 777 67K-HE2 E 2.93 ambi=2 { CE:42.1 } atom: 769 67K-H N 7.99 ambi=1 { N:120.8 } :: atom: 778 67K-HE3 E 2.86 ambi=2 { CE:42.1 } atom: 769 67K-H N 7.99 ambi=1 { N:120.8 } ::sumAvg: 4.855 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 769 67K-H N 7.99 ambi=1 { N:120.8 } ::sumAvg: 4.14 atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } atom: 777 67K-HE2 E 2.93 ambi=2 { CE:42.1 } :: atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } atom: 778 67K-HE3 E 2.86 ambi=2 { CE:42.1 } ::sumAvg: 4.99 atom: 777 67K-HE2 E 2.93 ambi=2 { CE:42.1 } atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } :: atom: 778 67K-HE3 E 2.86 ambi=2 { CE:42.1 } atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } ::sumAvg: 4.99 atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } atom: 786 68A-H N 8.29 ambi=1 { N:120.8 } ::sumAvg: 3.475 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } ::sumAvg: 4.975 atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } atom: 793 69S-H N 7.93 ambi=1 { N:112.7 } ::sumAvg: 4.445 atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } ::sumAvg: 3.385 atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } atom: 803 70K-HB2 B 1.93 ambi=2 { CB:32.5 } :: atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } atom: 804 70K-HB3 B 1.97 ambi=2 { CB:32.5 } ::sumAvg: 2.615 atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } atom: 805 70K-HG2 G 1.42 ambi=2 { CG:25.5 } :: atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } atom: 806 70K-HG3 G 1.61 ambi=2 { CG:25.5 } ::sumAvg: 4.005 atom: 805 70K-HG2 G 1.42 ambi=2 { CG:25.5 } atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } :: atom: 806 70K-HG3 G 1.61 ambi=2 { CG:25.5 } atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } ::sumAvg: 4.005 atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } atom: 809 70K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 3.825 atom: 809 70K-QE E 2.93 ambi=2 { CE:41.8 } atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } ::sumAvg: 3.825 atom: 770 67K-HA A 3.98 ambi=1 { CA:59.8 } atom: 818 71L-H N 8.15 ambi=1 { N:121.7 } ::sumAvg: 4.83 atom: 775 67K-HD2 D 1.54 ambi=2 { CD:29.3 } atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } ::sumAvg: 2.475 atom: 771 67K-HB2 B 1.87 ambi=2 { CB:32.2 } atom: 777 67K-HE2 E 2.93 ambi=2 { CE:42.1 } :: atom: 771 67K-HB2 B 1.87 ambi=2 { CB:32.2 } atom: 778 67K-HE3 E 2.86 ambi=2 { CE:42.1 } :: atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } atom: 777 67K-HE2 E 2.93 ambi=2 { CE:42.1 } :: atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } atom: 778 67K-HE3 E 2.86 ambi=2 { CE:42.1 } ::sumAvg: 4.245 atom: 777 67K-HE2 E 2.93 ambi=2 { CE:42.1 } atom: 771 67K-HB2 B 1.87 ambi=2 { CB:32.2 } :: atom: 778 67K-HE3 E 2.86 ambi=2 { CE:42.1 } atom: 771 67K-HB2 B 1.87 ambi=2 { CB:32.2 } :: atom: 777 67K-HE2 E 2.93 ambi=2 { CE:42.1 } atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } :: atom: 778 67K-HE3 E 2.86 ambi=2 { CE:42.1 } atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } ::sumAvg: 4.245 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 771 67K-HB2 B 1.87 ambi=2 { CB:32.2 } :: atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 772 67K-HB3 B 1.99 ambi=2 { CB:32.2 } ::sumAvg: 4.165 atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } atom: 793 69S-H N 7.93 ambi=1 { N:112.7 } ::sumAvg: 3.54 atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } ::sumAvg: 3.99 atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } atom: 803 70K-HB2 B 1.93 ambi=2 { CB:32.5 } :: atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } atom: 804 70K-HB3 B 1.97 ambi=2 { CB:32.5 } ::sumAvg: 4.845 atom: 803 70K-HB2 B 1.93 ambi=2 { CB:32.5 } atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } :: atom: 804 70K-HB3 B 1.97 ambi=2 { CB:32.5 } atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } ::sumAvg: 4.845 atom: 822 71L-HG G 1.85 ambi=1 { CG:27.2 } atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } ::sumAvg: 4.49 atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } ::sumAvg: 4.855 atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } ::sumAvg: 4.855 atom: 837 72L-HD1 D1 0.86 ambi=2 { CD1:24.2 } atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } :: atom: 838 72L-HD2 D2 0.78 ambi=2 { CD2:27.3 } atom: 787 68A-HA A 3.77 ambi=1 { CA:55.3 } ::sumAvg: 4.74 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } ::sumAvg: 3.845 atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 3.845 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } :: atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } ::sumAvg: 4.055 atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } :: atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 4.055 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } ::sumAvg: 4.215 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 818 71L-H N 8.15 ambi=1 { N:121.7 } ::sumAvg: 4.745 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 821 71L-HB3 B 1.87 ambi=2 { CB:42.4 } ::sumAvg: 4.74 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 823 71L-HD1 D1 0.88 ambi=2 { CD1:25.7 } :: atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 824 71L-HD2 D2 0.91 ambi=2 { CD2:22.7 } ::sumAvg: 4.72 atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } ::sumAvg: 4.54 atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } atom: 788 68A-HB B 1.33 ambi=1 { CB:18.5 } ::sumAvg: 4.54 atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } ::sumAvg: 3.385 atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } atom: 818 71L-H N 8.15 ambi=1 { N:121.7 } ::sumAvg: 4.08 atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } atom: 832 72L-H N 8.16 ambi=1 { N:117.7 } ::sumAvg: 4.825 atom: 834 72L-HB2 B 1.64 ambi=2 { CB:42.5 } atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } :: atom: 835 72L-HB3 B 1.87 ambi=2 { CB:42.5 } atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } ::sumAvg: 3.4 atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } ::sumAvg: 4.245 atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } ::sumAvg: 4.245 atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } atom: 912 79I-HB B 1.92 ambi=1 { CB:34.4 } ::sumAvg: 4.995 atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } ::sumAvg: 4.2 atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } ::sumAvg: 4.2 atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } atom: 924 80P-HB2 B 2.28 ambi=2 { CB:30.9 } :: atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } atom: 925 80P-HB3 B 2.02 ambi=2 { CB:30.9 } ::sumAvg: 4.93 atom: 924 80P-HB2 B 2.28 ambi=2 { CB:30.9 } atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } :: atom: 925 80P-HB3 B 2.02 ambi=2 { CB:30.9 } atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } ::sumAvg: 4.93 atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } ::sumAvg: 4.87 atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } atom: 794 69S-HA A 3.68 ambi=1 { CA:62.2 } ::sumAvg: 4.87 atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } :: atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } ::sumAvg: 3.535 atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } atom: 802 70K-HA A 4.08 ambi=1 { CA:59.2 } :: atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } atom: 802 70K-HA A 4.08 ambi=1 { CA:59.2 } ::sumAvg: 4.685 atom: 802 70K-HA A 4.08 ambi=1 { CA:59.2 } atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } :: atom: 802 70K-HA A 4.08 ambi=1 { CA:59.2 } atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } ::sumAvg: 4.685 atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } :: atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } ::sumAvg: 2.255 atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } atom: 924 80P-HB2 B 2.28 ambi=2 { CB:30.9 } :: atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } atom: 925 80P-HB3 B 2.02 ambi=2 { CB:30.9 } :: atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } atom: 924 80P-HB2 B 2.28 ambi=2 { CB:30.9 } :: atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } atom: 925 80P-HB3 B 2.02 ambi=2 { CB:30.9 } ::sumAvg: 3.465 atom: 924 80P-HB2 B 2.28 ambi=2 { CB:30.9 } atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } :: atom: 925 80P-HB3 B 2.02 ambi=2 { CB:30.9 } atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } :: atom: 924 80P-HB2 B 2.28 ambi=2 { CB:30.9 } atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } :: atom: 925 80P-HB3 B 2.02 ambi=2 { CB:30.9 } atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } ::sumAvg: 3.465 atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } :: atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } ::sumAvg: 4.25 atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } :: atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } ::sumAvg: 4.25 atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } :: atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } ::sumAvg: 4.255 atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } :: atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } ::sumAvg: 4.255 atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } :: atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } ::sumAvg: 4.545 atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } :: atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } ::sumAvg: 3.97 atom: 795 69S-HB2 B 3.54 ambi=2 { CB:62.2 } atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } :: atom: 796 69S-HB3 B 3.42 ambi=2 { CB:62.2 } atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } ::sumAvg: 4.695 atom: 807 70K-QD D 1.7 ambi=2 { CD:29.3 } atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } ::sumAvg: 4.155 atom: 809 70K-QE E 2.93 ambi=2 { CE:41.8 } atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } ::sumAvg: 4.945 atom: 820 71L-HB2 B 1.55 ambi=2 { CB:42.4 } atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } :: atom: 821 71L-HB3 B 1.87 ambi=2 { CB:42.4 } atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } ::sumAvg: 4.61 atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } atom: 801 70K-H N 7.16 ambi=1 { N:119.7 } ::sumAvg: 4.84 atom: 802 70K-HA A 4.08 ambi=1 { CA:59.2 } atom: 809 70K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.62 atom: 809 70K-QE E 2.93 ambi=2 { CE:41.8 } atom: 802 70K-HA A 4.08 ambi=1 { CA:59.2 } ::sumAvg: 4.62 atom: 848 73R-HB2 B 1.85 ambi=2 { CB:30.4 } atom: 802 70K-HA A 4.08 ambi=1 { CA:59.2 } :: atom: 849 73R-HB3 B 1.96 ambi=2 { CB:30.4 } atom: 802 70K-HA A 4.08 ambi=1 { CA:59.2 } ::sumAvg: 4.98 atom: 802 70K-HA A 4.08 ambi=1 { CA:59.2 } atom: 852 73R-QD D 3.31 ambi=2 { CD:43.6 } ::sumAvg: 4.43 atom: 852 73R-QD D 3.31 ambi=2 { CD:43.6 } atom: 802 70K-HA A 4.08 ambi=1 { CA:59.2 } ::sumAvg: 4.43 atom: 924 80P-HB2 B 2.28 ambi=2 { CB:30.9 } atom: 802 70K-HA A 4.08 ambi=1 { CA:59.2 } :: atom: 925 80P-HB3 B 2.02 ambi=2 { CB:30.9 } atom: 802 70K-HA A 4.08 ambi=1 { CA:59.2 } ::sumAvg: 3.59 atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } atom: 802 70K-HA A 4.08 ambi=1 { CA:59.2 } ::sumAvg: 3.6 atom: 805 70K-HG2 G 1.42 ambi=2 { CG:25.5 } atom: 803 70K-HB2 B 1.93 ambi=2 { CB:32.5 } :: atom: 805 70K-HG2 G 1.42 ambi=2 { CG:25.5 } atom: 804 70K-HB3 B 1.97 ambi=2 { CB:32.5 } ::sumAvg: 2.405 atom: 803 70K-HB2 B 1.93 ambi=2 { CB:32.5 } atom: 809 70K-QE E 2.93 ambi=2 { CE:41.8 } :: atom: 804 70K-HB3 B 1.97 ambi=2 { CB:32.5 } atom: 809 70K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 3.12 atom: 809 70K-QE E 2.93 ambi=2 { CE:41.8 } atom: 803 70K-HB2 B 1.93 ambi=2 { CB:32.5 } :: atom: 809 70K-QE E 2.93 ambi=2 { CE:41.8 } atom: 804 70K-HB3 B 1.97 ambi=2 { CB:32.5 } ::sumAvg: 3.12 atom: 803 70K-HB2 B 1.93 ambi=2 { CB:32.5 } atom: 819 71L-HA A 4.15 ambi=1 { CA:57.5 } :: atom: 804 70K-HB3 B 1.97 ambi=2 { CB:32.5 } atom: 819 71L-HA A 4.15 ambi=1 { CA:57.5 } ::sumAvg: 4.38 atom: 820 71L-HB2 B 1.55 ambi=2 { CB:42.4 } atom: 804 70K-HB3 B 1.97 ambi=2 { CB:32.5 } ::sumAvg: 4.505 atom: 803 70K-HB2 B 1.93 ambi=2 { CB:32.5 } atom: 823 71L-HD1 D1 0.88 ambi=2 { CD1:25.7 } :: atom: 803 70K-HB2 B 1.93 ambi=2 { CB:32.5 } atom: 824 71L-HD2 D2 0.91 ambi=2 { CD2:22.7 } :: atom: 804 70K-HB3 B 1.97 ambi=2 { CB:32.5 } atom: 823 71L-HD1 D1 0.88 ambi=2 { CD1:25.7 } :: atom: 804 70K-HB3 B 1.97 ambi=2 { CB:32.5 } atom: 824 71L-HD2 D2 0.91 ambi=2 { CD2:22.7 } ::sumAvg: 4.035 atom: 805 70K-HG2 G 1.42 ambi=2 { CG:25.5 } atom: 809 70K-QE E 2.93 ambi=2 { CE:41.8 } :: atom: 806 70K-HG3 G 1.61 ambi=2 { CG:25.5 } atom: 809 70K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 2.335 atom: 805 70K-HG2 G 1.42 ambi=2 { CG:25.5 } atom: 823 71L-HD1 D1 0.88 ambi=2 { CD1:25.7 } :: atom: 805 70K-HG2 G 1.42 ambi=2 { CG:25.5 } atom: 824 71L-HD2 D2 0.91 ambi=2 { CD2:22.7 } :: atom: 806 70K-HG3 G 1.61 ambi=2 { CG:25.5 } atom: 823 71L-HD1 D1 0.88 ambi=2 { CD1:25.7 } :: atom: 806 70K-HG3 G 1.61 ambi=2 { CG:25.5 } atom: 824 71L-HD2 D2 0.91 ambi=2 { CD2:22.7 } ::sumAvg: 4.97 atom: 805 70K-HG2 G 1.42 ambi=2 { CG:25.5 } atom: 852 73R-QD D 3.31 ambi=2 { CD:43.6 } :: atom: 806 70K-HG3 G 1.61 ambi=2 { CG:25.5 } atom: 852 73R-QD D 3.31 ambi=2 { CD:43.6 } ::sumAvg: 4.805 atom: 852 73R-QD D 3.31 ambi=2 { CD:43.6 } atom: 805 70K-HG2 G 1.42 ambi=2 { CG:25.5 } :: atom: 852 73R-QD D 3.31 ambi=2 { CD:43.6 } atom: 806 70K-HG3 G 1.61 ambi=2 { CG:25.5 } ::sumAvg: 4.805 atom: 807 70K-QD D 1.7 ambi=2 { CD:29.3 } atom: 823 71L-HD1 D1 0.88 ambi=2 { CD1:25.7 } :: atom: 807 70K-QD D 1.7 ambi=2 { CD:29.3 } atom: 824 71L-HD2 D2 0.91 ambi=2 { CD2:22.7 } ::sumAvg: 4.785 atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } atom: 818 71L-H N 8.15 ambi=1 { N:121.7 } ::sumAvg: 4.4 atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } atom: 819 71L-HA A 4.15 ambi=1 { CA:57.5 } ::sumAvg: 4.97 atom: 850 73R-HG2 G 1.83 ambi=2 { CG:27.8 } atom: 819 71L-HA A 4.15 ambi=1 { CA:57.5 } :: atom: 851 73R-HG3 G 1.7 ambi=2 { CG:27.8 } atom: 819 71L-HA A 4.15 ambi=1 { CA:57.5 } ::sumAvg: 4.86 atom: 819 71L-HA A 4.15 ambi=1 { CA:57.5 } atom: 860 74S-H N 7.39 ambi=1 { N:110.2 } ::sumAvg: 4.77 atom: 820 71L-HB2 B 1.55 ambi=2 { CB:42.4 } atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } :: atom: 821 71L-HB3 B 1.87 ambi=2 { CB:42.4 } atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } ::sumAvg: 4.24 atom: 820 71L-HB2 B 1.55 ambi=2 { CB:42.4 } atom: 846 73R-H N 7.49 ambi=1 { N:121.8 } :: atom: 821 71L-HB3 B 1.87 ambi=2 { CB:42.4 } atom: 846 73R-H N 7.49 ambi=1 { N:121.8 } ::sumAvg: 4.28 atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } atom: 832 72L-H N 8.16 ambi=1 { N:117.7 } ::sumAvg: 2.675 atom: 848 73R-HB2 B 1.85 ambi=2 { CB:30.4 } atom: 832 72L-H N 8.16 ambi=1 { N:117.7 } :: atom: 849 73R-HB3 B 1.96 ambi=2 { CB:30.4 } atom: 832 72L-H N 8.16 ambi=1 { N:117.7 } ::sumAvg: 4.68 atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } atom: 832 72L-H N 8.16 ambi=1 { N:117.7 } ::sumAvg: 4.975 atom: 834 72L-HB2 B 1.64 ambi=2 { CB:42.5 } atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } :: atom: 835 72L-HB3 B 1.87 ambi=2 { CB:42.5 } atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } ::sumAvg: 2.58 atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } ::sumAvg: 2.98 atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } atom: 860 74S-H N 7.39 ambi=1 { N:110.2 } ::sumAvg: 3.42 atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } atom: 868 75N-H N 7.75 ambi=1 { N:119.6 } ::sumAvg: 3.45 atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } atom: 870 75N-HB2 B 2.84 ambi=2 { CB:39.8 } :: atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } atom: 871 75N-HB3 B 2.73 ambi=2 { CB:39.8 } ::sumAvg: 3.735 atom: 870 75N-HB2 B 2.84 ambi=2 { CB:39.8 } atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } :: atom: 871 75N-HB3 B 2.73 ambi=2 { CB:39.8 } atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } ::sumAvg: 3.735 atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } atom: 872 75N-HD21 D2 7.39 ambi=2 { ND2:109.3 } :: atom: 833 72L-HA A 4.27 ambi=1 { CA:55.9 } atom: 873 75N-HD22 D2 6.77 ambi=2 { ND2:109.3 } ::sumAvg: 4.67 atom: 834 72L-HB2 B 1.64 ambi=2 { CB:42.5 } atom: 846 73R-H N 7.49 ambi=1 { N:121.8 } :: atom: 835 72L-HB3 B 1.87 ambi=2 { CB:42.5 } atom: 846 73R-H N 7.49 ambi=1 { N:121.8 } ::sumAvg: 3.49 atom: 834 72L-HB2 B 1.64 ambi=2 { CB:42.5 } atom: 868 75N-H N 7.75 ambi=1 { N:119.6 } :: atom: 835 72L-HB3 B 1.87 ambi=2 { CB:42.5 } atom: 868 75N-H N 7.75 ambi=1 { N:119.6 } ::sumAvg: 4.385 atom: 834 72L-HB2 B 1.64 ambi=2 { CB:42.5 } atom: 870 75N-HB2 B 2.84 ambi=2 { CB:39.8 } :: atom: 834 72L-HB2 B 1.64 ambi=2 { CB:42.5 } atom: 871 75N-HB3 B 2.73 ambi=2 { CB:39.8 } :: atom: 835 72L-HB3 B 1.87 ambi=2 { CB:42.5 } atom: 870 75N-HB2 B 2.84 ambi=2 { CB:39.8 } :: atom: 835 72L-HB3 B 1.87 ambi=2 { CB:42.5 } atom: 871 75N-HB3 B 2.73 ambi=2 { CB:39.8 } ::sumAvg: 3.605 atom: 870 75N-HB2 B 2.84 ambi=2 { CB:39.8 } atom: 834 72L-HB2 B 1.64 ambi=2 { CB:42.5 } :: atom: 871 75N-HB3 B 2.73 ambi=2 { CB:39.8 } atom: 834 72L-HB2 B 1.64 ambi=2 { CB:42.5 } :: atom: 870 75N-HB2 B 2.84 ambi=2 { CB:39.8 } atom: 835 72L-HB3 B 1.87 ambi=2 { CB:42.5 } :: atom: 871 75N-HB3 B 2.73 ambi=2 { CB:39.8 } atom: 835 72L-HB3 B 1.87 ambi=2 { CB:42.5 } ::sumAvg: 3.605 atom: 834 72L-HB2 B 1.64 ambi=2 { CB:42.5 } atom: 872 75N-HD21 D2 7.39 ambi=2 { ND2:109.3 } :: atom: 834 72L-HB2 B 1.64 ambi=2 { CB:42.5 } atom: 873 75N-HD22 D2 6.77 ambi=2 { ND2:109.3 } :: atom: 835 72L-HB3 B 1.87 ambi=2 { CB:42.5 } atom: 872 75N-HD21 D2 7.39 ambi=2 { ND2:109.3 } :: atom: 835 72L-HB3 B 1.87 ambi=2 { CB:42.5 } atom: 873 75N-HD22 D2 6.77 ambi=2 { ND2:109.3 } ::sumAvg: 4.725 atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } atom: 834 72L-HB2 B 1.64 ambi=2 { CB:42.5 } :: atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 834 72L-HB2 B 1.64 ambi=2 { CB:42.5 } :: atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } atom: 835 72L-HB3 B 1.87 ambi=2 { CB:42.5 } :: atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 835 72L-HB3 B 1.87 ambi=2 { CB:42.5 } ::sumAvg: 4.26 atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } atom: 846 73R-H N 7.49 ambi=1 { N:121.8 } ::sumAvg: 4.74 atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } ::sumAvg: 4.41 atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } atom: 836 72L-HG G 1.74 ambi=1 { CG:26.8 } ::sumAvg: 4.375 atom: 837 72L-HD1 D1 0.86 ambi=2 { CD1:24.2 } atom: 868 75N-H N 7.75 ambi=1 { N:119.6 } :: atom: 838 72L-HD2 D2 0.78 ambi=2 { CD2:27.3 } atom: 868 75N-H N 7.75 ambi=1 { N:119.6 } ::sumAvg: 4.55 atom: 837 72L-HD1 D1 0.86 ambi=2 { CD1:24.2 } atom: 870 75N-HB2 B 2.84 ambi=2 { CB:39.8 } :: atom: 837 72L-HD1 D1 0.86 ambi=2 { CD1:24.2 } atom: 871 75N-HB3 B 2.73 ambi=2 { CB:39.8 } :: atom: 838 72L-HD2 D2 0.78 ambi=2 { CD2:27.3 } atom: 870 75N-HB2 B 2.84 ambi=2 { CB:39.8 } :: atom: 838 72L-HD2 D2 0.78 ambi=2 { CD2:27.3 } atom: 871 75N-HB3 B 2.73 ambi=2 { CB:39.8 } ::sumAvg: 3.67 atom: 861 74S-HA A 4.15 ambi=1 { CA:60.4 } atom: 846 73R-H N 7.49 ambi=1 { N:121.8 } ::sumAvg: 4.995 atom: 862 74S-QB B 3.92 ambi=2 { CB:62.7 } atom: 846 73R-H N 7.49 ambi=1 { N:121.8 } ::sumAvg: 4.455 atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } atom: 880 76N-HA A 4.62 ambi=1 { CA:53.9 } ::sumAvg: 4.745 atom: 880 76N-HA A 4.62 ambi=1 { CA:53.9 } atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } ::sumAvg: 4.745 atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } :: atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } ::sumAvg: 4.78 atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } :: atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } ::sumAvg: 4.78 atom: 850 73R-HG2 G 1.83 ambi=2 { CG:27.8 } atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } :: atom: 851 73R-HG3 G 1.7 ambi=2 { CG:27.8 } atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } ::sumAvg: 3.07 atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } atom: 852 73R-QD D 3.31 ambi=2 { CD:43.6 } ::sumAvg: 4.2 atom: 852 73R-QD D 3.31 ambi=2 { CD:43.6 } atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } ::sumAvg: 4.2 atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } atom: 860 74S-H N 7.39 ambi=1 { N:110.2 } ::sumAvg: 3.46 atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } atom: 868 75N-H N 7.75 ambi=1 { N:119.6 } ::sumAvg: 3.81 atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } atom: 890 77T-H N 8.76 ambi=1 { N:119.5 } ::sumAvg: 4.25 atom: 893 77T-HG2 G2 1.34 ambi=1 { CG2:22.2 } atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } ::sumAvg: 3.37 atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } ::sumAvg: 4.72 atom: 912 79I-HB B 1.92 ambi=1 { CB:34.4 } atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } ::sumAvg: 4.26 atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } ::sumAvg: 4.95 atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } ::sumAvg: 4.95 atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } ::sumAvg: 3.79 atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } ::sumAvg: 4.18 atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } ::sumAvg: 3.945 atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 847 73R-HA A 4.2 ambi=1 { CA:58 } ::sumAvg: 3.945 atom: 861 74S-HA A 4.15 ambi=1 { CA:60.4 } atom: 848 73R-HB2 B 1.85 ambi=2 { CB:30.4 } :: atom: 861 74S-HA A 4.15 ambi=1 { CA:60.4 } atom: 849 73R-HB3 B 1.96 ambi=2 { CB:30.4 } ::sumAvg: 4.685 atom: 862 74S-QB B 3.92 ambi=2 { CB:62.7 } atom: 848 73R-HB2 B 1.85 ambi=2 { CB:30.4 } :: atom: 862 74S-QB B 3.92 ambi=2 { CB:62.7 } atom: 849 73R-HB3 B 1.96 ambi=2 { CB:30.4 } ::sumAvg: 4.945 atom: 848 73R-HB2 B 1.85 ambi=2 { CB:30.4 } atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } :: atom: 849 73R-HB3 B 1.96 ambi=2 { CB:30.4 } atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } ::sumAvg: 3.16 atom: 892 77T-HB B 4.3 ambi=1 { CB:68.8 } atom: 848 73R-HB2 B 1.85 ambi=2 { CB:30.4 } :: atom: 892 77T-HB B 4.3 ambi=1 { CB:68.8 } atom: 849 73R-HB3 B 1.96 ambi=2 { CB:30.4 } ::sumAvg: 4.55 atom: 848 73R-HB2 B 1.85 ambi=2 { CB:30.4 } atom: 893 77T-HG2 G2 1.34 ambi=1 { CG2:22.2 } :: atom: 849 73R-HB3 B 1.96 ambi=2 { CB:30.4 } atom: 893 77T-HG2 G2 1.34 ambi=1 { CG2:22.2 } ::sumAvg: 3.295 atom: 850 73R-HG2 G 1.83 ambi=2 { CG:27.8 } atom: 860 74S-H N 7.39 ambi=1 { N:110.2 } :: atom: 851 73R-HG3 G 1.7 ambi=2 { CG:27.8 } atom: 860 74S-H N 7.39 ambi=1 { N:110.2 } ::sumAvg: 3.75 atom: 850 73R-HG2 G 1.83 ambi=2 { CG:27.8 } atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } :: atom: 851 73R-HG3 G 1.7 ambi=2 { CG:27.8 } atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } ::sumAvg: 3.31 atom: 850 73R-HG2 G 1.83 ambi=2 { CG:27.8 } atom: 892 77T-HB B 4.3 ambi=1 { CB:68.8 } :: atom: 851 73R-HG3 G 1.7 ambi=2 { CG:27.8 } atom: 892 77T-HB B 4.3 ambi=1 { CB:68.8 } ::sumAvg: 4.37 atom: 892 77T-HB B 4.3 ambi=1 { CB:68.8 } atom: 850 73R-HG2 G 1.83 ambi=2 { CG:27.8 } :: atom: 892 77T-HB B 4.3 ambi=1 { CB:68.8 } atom: 851 73R-HG3 G 1.7 ambi=2 { CG:27.8 } ::sumAvg: 4.37 atom: 851 73R-HG3 G 1.7 ambi=2 { CG:27.8 } atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } ::sumAvg: 3.87 atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } atom: 851 73R-HG3 G 1.7 ambi=2 { CG:27.8 } ::sumAvg: 3.87 atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } atom: 850 73R-HG2 G 1.83 ambi=2 { CG:27.8 } :: atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 850 73R-HG2 G 1.83 ambi=2 { CG:27.8 } :: atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } atom: 851 73R-HG3 G 1.7 ambi=2 { CG:27.8 } :: atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 851 73R-HG3 G 1.7 ambi=2 { CG:27.8 } ::sumAvg: 4.54 atom: 852 73R-QD D 3.31 ambi=2 { CD:43.6 } atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } ::sumAvg: 4.265 atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } atom: 852 73R-QD D 3.31 ambi=2 { CD:43.6 } ::sumAvg: 4.265 atom: 852 73R-QD D 3.31 ambi=2 { CD:43.6 } atom: 892 77T-HB B 4.3 ambi=1 { CB:68.8 } ::sumAvg: 4.45 atom: 892 77T-HB B 4.3 ambi=1 { CB:68.8 } atom: 852 73R-QD D 3.31 ambi=2 { CD:43.6 } ::sumAvg: 4.45 atom: 852 73R-QD D 3.31 ambi=2 { CD:43.6 } atom: 893 77T-HG2 G2 1.34 ambi=1 { CG2:22.2 } ::sumAvg: 3.385 atom: 893 77T-HG2 G2 1.34 ambi=1 { CG2:22.2 } atom: 852 73R-QD D 3.31 ambi=2 { CD:43.6 } ::sumAvg: 3.385 atom: 852 73R-QD D 3.31 ambi=2 { CD:43.6 } atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } ::sumAvg: 3.925 atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } atom: 852 73R-QD D 3.31 ambi=2 { CD:43.6 } ::sumAvg: 3.925 atom: 861 74S-HA A 4.15 ambi=1 { CA:60.4 } atom: 868 75N-H N 7.75 ambi=1 { N:119.6 } ::sumAvg: 3.45 atom: 861 74S-HA A 4.15 ambi=1 { CA:60.4 } atom: 869 75N-HA A 4.67 ambi=1 { CA:55.3 } ::sumAvg: 4.67 atom: 869 75N-HA A 4.67 ambi=1 { CA:55.3 } atom: 861 74S-HA A 4.15 ambi=1 { CA:60.4 } ::sumAvg: 4.67 atom: 861 74S-HA A 4.15 ambi=1 { CA:60.4 } atom: 879 76N-H N 7.5 ambi=1 { N:115.6 } ::sumAvg: 4.715 atom: 861 74S-HA A 4.15 ambi=1 { CA:60.4 } atom: 893 77T-HG2 G2 1.34 ambi=1 { CG2:22.2 } ::sumAvg: 4.55 atom: 862 74S-QB B 3.92 ambi=2 { CB:62.7 } atom: 869 75N-HA A 4.67 ambi=1 { CA:55.3 } ::sumAvg: 4.535 atom: 869 75N-HA A 4.67 ambi=1 { CA:55.3 } atom: 862 74S-QB B 3.92 ambi=2 { CB:62.7 } ::sumAvg: 4.535 atom: 869 75N-HA A 4.67 ambi=1 { CA:55.3 } atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } :: atom: 869 75N-HA A 4.67 ambi=1 { CA:55.3 } atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } ::sumAvg: 4.815 atom: 869 75N-HA A 4.67 ambi=1 { CA:55.3 } atom: 879 76N-H N 7.5 ambi=1 { N:115.6 } ::sumAvg: 3.535 atom: 869 75N-HA A 4.67 ambi=1 { CA:55.3 } atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } ::sumAvg: 4.995 atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } atom: 869 75N-HA A 4.67 ambi=1 { CA:55.3 } ::sumAvg: 4.995 atom: 870 75N-HB2 B 2.84 ambi=2 { CB:39.8 } atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } :: atom: 871 75N-HB3 B 2.73 ambi=2 { CB:39.8 } atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } ::sumAvg: 3.87 atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } atom: 870 75N-HB2 B 2.84 ambi=2 { CB:39.8 } :: atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } atom: 871 75N-HB3 B 2.73 ambi=2 { CB:39.8 } ::sumAvg: 3.87 atom: 870 75N-HB2 B 2.84 ambi=2 { CB:39.8 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } :: atom: 871 75N-HB3 B 2.73 ambi=2 { CB:39.8 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } ::sumAvg: 4.725 atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } atom: 870 75N-HB2 B 2.84 ambi=2 { CB:39.8 } :: atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } atom: 871 75N-HB3 B 2.73 ambi=2 { CB:39.8 } ::sumAvg: 4.725 atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } atom: 872 75N-HD21 D2 7.39 ambi=2 { ND2:109.3 } :: atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } atom: 873 75N-HD22 D2 6.77 ambi=2 { ND2:109.3 } ::sumAvg: 4.275 atom: 881 76N-HB2 B 2.13 ambi=2 { CB:39.2 } atom: 879 76N-H N 7.5 ambi=1 { N:115.6 } :: atom: 882 76N-HB3 B 2.49 ambi=2 { CB:39.2 } atom: 879 76N-H N 7.5 ambi=1 { N:115.6 } ::sumAvg: 2.945 atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } atom: 879 76N-H N 7.5 ambi=1 { N:115.6 } ::sumAvg: 4.395 atom: 893 77T-HG2 G2 1.34 ambi=1 { CG2:22.2 } atom: 879 76N-H N 7.5 ambi=1 { N:115.6 } ::sumAvg: 4.515 atom: 912 79I-HB B 1.92 ambi=1 { CB:34.4 } atom: 879 76N-H N 7.5 ambi=1 { N:115.6 } ::sumAvg: 4.465 atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } atom: 879 76N-H N 7.5 ambi=1 { N:115.6 } ::sumAvg: 4.125 atom: 901 78E-HB2 B 1.95 ambi=2 { CB:30.1 } atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } :: atom: 902 78E-HB3 B 2.11 ambi=2 { CB:30.1 } atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } :: atom: 901 78E-HB2 B 1.95 ambi=2 { CB:30.1 } atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } :: atom: 902 78E-HB3 B 2.11 ambi=2 { CB:30.1 } atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } ::sumAvg: 3.32 atom: 903 78E-HG2 G 2.36 ambi=2 { CG:36.2 } atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } :: atom: 904 78E-HG3 G 2.45 ambi=2 { CG:36.2 } atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } :: atom: 903 78E-HG2 G 2.36 ambi=2 { CG:36.2 } atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } :: atom: 904 78E-HG3 G 2.45 ambi=2 { CG:36.2 } atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } ::sumAvg: 3.775 atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } :: atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } ::sumAvg: 4.26 atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } :: atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } ::sumAvg: 4.39 atom: 954 82L-HD1 D1 0.83 ambi=2 { CD1:25.4 } atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } :: atom: 955 82L-HD2 D2 0.93 ambi=2 { CD2:21 } atom: 883 76N-HD21 D2 6.46 ambi=2 { ND2:109.9 } :: atom: 954 82L-HD1 D1 0.83 ambi=2 { CD1:25.4 } atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } :: atom: 955 82L-HD2 D2 0.93 ambi=2 { CD2:21 } atom: 884 76N-HD22 D2 5.89 ambi=2 { ND2:109.9 } ::sumAvg: 4.74 atom: 912 79I-HB B 1.92 ambi=1 { CB:34.4 } atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } ::sumAvg: 4.445 atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } ::sumAvg: 4.965 atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } ::sumAvg: 4.965 atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } ::sumAvg: 4.79 atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } ::sumAvg: 4.79 atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } ::sumAvg: 3.405 atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } ::sumAvg: 3.405 atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } ::sumAvg: 3.08 atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 891 77T-HA A 4.14 ambi=1 { CA:64.8 } ::sumAvg: 3.08 atom: 892 77T-HB B 4.3 ambi=1 { CB:68.8 } atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } ::sumAvg: 4.185 atom: 892 77T-HB B 4.3 ambi=1 { CB:68.8 } atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } ::sumAvg: 4.635 atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 892 77T-HB B 4.3 ambi=1 { CB:68.8 } ::sumAvg: 4.635 atom: 892 77T-HB B 4.3 ambi=1 { CB:68.8 } atom: 941 81I-HD1 D1 0.95 ambi=1 { CD1:12.9 } ::sumAvg: 4.045 atom: 901 78E-HB2 B 1.95 ambi=2 { CB:30.1 } atom: 890 77T-H N 8.76 ambi=1 { N:119.5 } :: atom: 902 78E-HB3 B 2.11 ambi=2 { CB:30.1 } atom: 890 77T-H N 8.76 ambi=1 { N:119.5 } ::sumAvg: 4.64 atom: 903 78E-HG2 G 2.36 ambi=2 { CG:36.2 } atom: 890 77T-H N 8.76 ambi=1 { N:119.5 } :: atom: 904 78E-HG3 G 2.45 ambi=2 { CG:36.2 } atom: 890 77T-H N 8.76 ambi=1 { N:119.5 } ::sumAvg: 4.05 atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } atom: 991 84K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.595 atom: 991 84K-QE E 2.93 ambi=2 { CE:41.8 } atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } ::sumAvg: 4.595 atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } atom: 1000 85S-H N 7.81 ambi=1 { N:117.7 } ::sumAvg: 3.52 atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } atom: 1008 86A-H N 7.43 ambi=1 { N:123.6 } ::sumAvg: 4.485 atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } ::sumAvg: 3.46 atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } :: atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } ::sumAvg: 2.63 atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } ::sumAvg: 2.63 atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } atom: 1021 87W-HE3 E3 7.28 ambi=1 { CE3:120.4 } ::sumAvg: 4.45 atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } ::sumAvg: 3.855 atom: 985 84K-HB2 B 2.2 ambi=2 { CB:31.6 } atom: 991 84K-QE E 2.93 ambi=2 { CE:41.8 } :: atom: 986 84K-HB3 B 2.11 ambi=2 { CB:31.6 } atom: 991 84K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 3.955 atom: 991 84K-QE E 2.93 ambi=2 { CE:41.8 } atom: 985 84K-HB2 B 2.2 ambi=2 { CB:31.6 } :: atom: 991 84K-QE E 2.93 ambi=2 { CE:41.8 } atom: 986 84K-HB3 B 2.11 ambi=2 { CB:31.6 } ::sumAvg: 3.955 atom: 989 84K-HD2 D 1.61 ambi=2 { CD:29.4 } atom: 985 84K-HB2 B 2.2 ambi=2 { CB:31.6 } :: atom: 989 84K-HD2 D 1.61 ambi=2 { CD:29.4 } atom: 986 84K-HB3 B 2.11 ambi=2 { CB:31.6 } ::sumAvg: 2.485 atom: 985 84K-HB2 B 2.2 ambi=2 { CB:31.6 } atom: 1001 85S-HA A 4.2 ambi=1 { CA:62.3 } :: atom: 986 84K-HB3 B 2.11 ambi=2 { CB:31.6 } atom: 1001 85S-HA A 4.2 ambi=1 { CA:62.3 } ::sumAvg: 4.305 atom: 1001 85S-HA A 4.2 ambi=1 { CA:62.3 } atom: 985 84K-HB2 B 2.2 ambi=2 { CB:31.6 } :: atom: 1001 85S-HA A 4.2 ambi=1 { CA:62.3 } atom: 986 84K-HB3 B 2.11 ambi=2 { CB:31.6 } ::sumAvg: 4.305 atom: 985 84K-HB2 B 2.2 ambi=2 { CB:31.6 } atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } :: atom: 985 84K-HB2 B 2.2 ambi=2 { CB:31.6 } atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } :: atom: 986 84K-HB3 B 2.11 ambi=2 { CB:31.6 } atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } :: atom: 986 84K-HB3 B 2.11 ambi=2 { CB:31.6 } atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } ::sumAvg: 4.525 atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } atom: 985 84K-HB2 B 2.2 ambi=2 { CB:31.6 } :: atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } atom: 985 84K-HB2 B 2.2 ambi=2 { CB:31.6 } :: atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } atom: 986 84K-HB3 B 2.11 ambi=2 { CB:31.6 } :: atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } atom: 986 84K-HB3 B 2.11 ambi=2 { CB:31.6 } ::sumAvg: 4.525 atom: 985 84K-HB2 B 2.2 ambi=2 { CB:31.6 } atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } :: atom: 986 84K-HB3 B 2.11 ambi=2 { CB:31.6 } atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } :: atom: 986 84K-HB3 B 2.11 ambi=2 { CB:31.6 } atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } ::sumAvg: 4.9 atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 985 84K-HB2 B 2.2 ambi=2 { CB:31.6 } :: atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 986 84K-HB3 B 2.11 ambi=2 { CB:31.6 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 986 84K-HB3 B 2.11 ambi=2 { CB:31.6 } ::sumAvg: 4.9 atom: 893 77T-HG2 G2 1.34 ambi=1 { CG2:22.2 } atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } ::sumAvg: 4.505 atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } atom: 893 77T-HG2 G2 1.34 ambi=1 { CG2:22.2 } ::sumAvg: 4.505 atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } atom: 893 77T-HG2 G2 1.34 ambi=1 { CG2:22.2 } :: atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 893 77T-HG2 G2 1.34 ambi=1 { CG2:22.2 } ::sumAvg: 4.93 atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } atom: 899 78E-H N 8.37 ambi=1 { N:117.4 } ::sumAvg: 4.965 atom: 912 79I-HB B 1.92 ambi=1 { CB:34.4 } atom: 899 78E-H N 8.37 ambi=1 { N:117.4 } ::sumAvg: 4.745 atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } atom: 899 78E-H N 8.37 ambi=1 { N:117.4 } ::sumAvg: 3.855 atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } atom: 899 78E-H N 8.37 ambi=1 { N:117.4 } ::sumAvg: 4.86 atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } atom: 899 78E-H N 8.37 ambi=1 { N:117.4 } :: atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 899 78E-H N 8.37 ambi=1 { N:117.4 } ::sumAvg: 3.83 atom: 941 81I-HD1 D1 0.95 ambi=1 { CD1:12.9 } atom: 899 78E-H N 8.37 ambi=1 { N:117.4 } ::sumAvg: 4.66 atom: 900 78E-HA A 4.29 ambi=1 { CA:57 } atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } ::sumAvg: 4.835 atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } atom: 900 78E-HA A 4.29 ambi=1 { CA:57 } ::sumAvg: 4.835 atom: 900 78E-HA A 4.29 ambi=1 { CA:57 } atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } ::sumAvg: 3.735 atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 900 78E-HA A 4.29 ambi=1 { CA:57 } ::sumAvg: 3.735 atom: 900 78E-HA A 4.29 ambi=1 { CA:57 } atom: 940 81I-HG2 G2 1 ambi=1 { CG2:17.8 } ::sumAvg: 4.12 atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } atom: 900 78E-HA A 4.29 ambi=1 { CA:57 } ::sumAvg: 4.045 atom: 901 78E-HB2 B 1.95 ambi=2 { CB:30.1 } atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } :: atom: 902 78E-HB3 B 2.11 ambi=2 { CB:30.1 } atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } ::sumAvg: 4.35 atom: 901 78E-HB2 B 1.95 ambi=2 { CB:30.1 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } :: atom: 902 78E-HB3 B 2.11 ambi=2 { CB:30.1 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } ::sumAvg: 3.88 atom: 901 78E-HB2 B 1.95 ambi=2 { CB:30.1 } atom: 935 81I-H N 7.14 ambi=1 { N:118.9 } :: atom: 902 78E-HB3 B 2.11 ambi=2 { CB:30.1 } atom: 935 81I-H N 7.14 ambi=1 { N:118.9 } ::sumAvg: 4.96 atom: 901 78E-HB2 B 1.95 ambi=2 { CB:30.1 } atom: 940 81I-HG2 G2 1 ambi=1 { CG2:17.8 } :: atom: 902 78E-HB3 B 2.11 ambi=2 { CB:30.1 } atom: 940 81I-HG2 G2 1 ambi=1 { CG2:17.8 } ::sumAvg: 4.425 atom: 901 78E-HB2 B 1.95 ambi=2 { CB:30.1 } atom: 949 82L-H N 8.26 ambi=1 { N:120.4 } :: atom: 902 78E-HB3 B 2.11 ambi=2 { CB:30.1 } atom: 949 82L-H N 8.26 ambi=1 { N:120.4 } ::sumAvg: 4.295 atom: 902 78E-HB3 B 2.11 ambi=2 { CB:30.1 } atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } ::sumAvg: 4.94 atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 902 78E-HB3 B 2.11 ambi=2 { CB:30.1 } ::sumAvg: 4.94 atom: 902 78E-HB3 B 2.11 ambi=2 { CB:30.1 } atom: 1339 113K-HD2 D 1.7 ambi=2 { CD:29.8 } ::sumAvg: 4.665 atom: 1339 113K-HD2 D 1.7 ambi=2 { CD:29.8 } atom: 902 78E-HB3 B 2.11 ambi=2 { CB:30.1 } ::sumAvg: 4.665 atom: 901 78E-HB2 B 1.95 ambi=2 { CB:30.1 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } :: atom: 902 78E-HB3 B 2.11 ambi=2 { CB:30.1 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 3.325 atom: 903 78E-HG2 G 2.36 ambi=2 { CG:36.2 } atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } :: atom: 904 78E-HG3 G 2.45 ambi=2 { CG:36.2 } atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } ::sumAvg: 4.53 atom: 903 78E-HG2 G 2.36 ambi=2 { CG:36.2 } atom: 940 81I-HG2 G2 1 ambi=1 { CG2:17.8 } :: atom: 904 78E-HG3 G 2.45 ambi=2 { CG:36.2 } atom: 940 81I-HG2 G2 1 ambi=1 { CG2:17.8 } ::sumAvg: 4.795 atom: 940 81I-HG2 G2 1 ambi=1 { CG2:17.8 } atom: 903 78E-HG2 G 2.36 ambi=2 { CG:36.2 } :: atom: 940 81I-HG2 G2 1 ambi=1 { CG2:17.8 } atom: 904 78E-HG3 G 2.45 ambi=2 { CG:36.2 } ::sumAvg: 4.795 atom: 941 81I-HD1 D1 0.95 ambi=1 { CD1:12.9 } atom: 903 78E-HG2 G 2.36 ambi=2 { CG:36.2 } :: atom: 941 81I-HD1 D1 0.95 ambi=1 { CD1:12.9 } atom: 904 78E-HG3 G 2.45 ambi=2 { CG:36.2 } ::sumAvg: 3.21 atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } ::sumAvg: 2.19 atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } ::sumAvg: 4.21 atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } ::sumAvg: 4.81 atom: 954 82L-HD1 D1 0.83 ambi=2 { CD1:25.4 } atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } :: atom: 955 82L-HD2 D2 0.93 ambi=2 { CD2:21 } atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } ::sumAvg: 4.175 atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } :: atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } atom: 910 79I-H N 7.74 ambi=1 { N:118.4 } ::sumAvg: 4.81 atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } ::sumAvg: 4.91 atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } ::sumAvg: 4.91 atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } atom: 935 81I-H N 7.14 ambi=1 { N:118.9 } ::sumAvg: 4.135 atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } atom: 949 82L-H N 8.26 ambi=1 { N:120.4 } ::sumAvg: 3.43 atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } :: atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } ::sumAvg: 2.775 atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } ::sumAvg: 3.605 atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } ::sumAvg: 3.605 atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } ::sumAvg: 4.23 atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } ::sumAvg: 3.725 atom: 911 79I-HA A 3.65 ambi=1 { CA:68.2 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 3.17 atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } atom: 912 79I-HB B 1.92 ambi=1 { CB:34.4 } ::sumAvg: 2.33 atom: 912 79I-HB B 1.92 ambi=1 { CB:34.4 } atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } ::sumAvg: 4.615 atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } atom: 912 79I-HB B 1.92 ambi=1 { CB:34.4 } ::sumAvg: 4.615 atom: 912 79I-HB B 1.92 ambi=1 { CB:34.4 } atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } :: atom: 912 79I-HB B 1.92 ambi=1 { CB:34.4 } atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } ::sumAvg: 1.985 atom: 912 79I-HB B 1.92 ambi=1 { CB:34.4 } atom: 935 81I-H N 7.14 ambi=1 { N:118.9 } ::sumAvg: 4.875 atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } :: atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } ::sumAvg: 3.835 atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } :: atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } ::sumAvg: 4.545 atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } :: atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } ::sumAvg: 3.835 atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } ::sumAvg: 2.57 atom: 913 79I-QG1 G1 1.01 ambi=2 { CG1:24.1 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 2.845 atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } ::sumAvg: 3.225 atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } ::sumAvg: 3.225 atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 924 80P-HB2 B 2.28 ambi=2 { CB:30.9 } :: atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 925 80P-HB3 B 2.02 ambi=2 { CB:30.9 } ::sumAvg: 4.485 atom: 924 80P-HB2 B 2.28 ambi=2 { CB:30.9 } atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } :: atom: 925 80P-HB3 B 2.02 ambi=2 { CB:30.9 } atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } ::sumAvg: 4.485 atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } ::sumAvg: 3.97 atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } ::sumAvg: 3.97 atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } :: atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } ::sumAvg: 2.91 atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } :: atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } ::sumAvg: 2.91 atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 935 81I-H N 7.14 ambi=1 { N:118.9 } ::sumAvg: 4.55 atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 949 82L-H N 8.26 ambi=1 { N:120.4 } ::sumAvg: 4.635 atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } ::sumAvg: 4.225 atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } ::sumAvg: 3.78 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } ::sumAvg: 3.78 atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } ::sumAvg: 4.83 atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 1351 114L-HA A 3.99 ambi=1 { CA:58.1 } ::sumAvg: 4.83 atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } :: atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } ::sumAvg: 4.935 atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } :: atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } ::sumAvg: 4.935 atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } ::sumAvg: 3.745 atom: 915 79I-HG2 G2 0.89 ambi=1 { CG2:17.2 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 4.55 atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } :: atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } ::sumAvg: 3.795 atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } :: atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } ::sumAvg: 3.795 atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } :: atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } ::sumAvg: 3.655 atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } :: atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } atom: 916 79I-HD1 D1 0.84 ambi=1 { CD1:13.7 } ::sumAvg: 3.655 atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } ::sumAvg: 3.605 atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } ::sumAvg: 3.605 atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } atom: 949 82L-H N 8.26 ambi=1 { N:120.4 } ::sumAvg: 4.54 atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } ::sumAvg: 3.84 atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } ::sumAvg: 4.965 atom: 923 80P-HA A 4.23 ambi=1 { CA:66.4 } atom: 983 84K-H N 7.51 ambi=1 { N:117.7 } ::sumAvg: 4.67 atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } atom: 924 80P-HB2 B 2.28 ambi=2 { CB:30.9 } :: atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 924 80P-HB2 B 2.28 ambi=2 { CB:30.9 } :: atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } atom: 925 80P-HB3 B 2.02 ambi=2 { CB:30.9 } :: atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 925 80P-HB3 B 2.02 ambi=2 { CB:30.9 } ::sumAvg: 2.94 atom: 924 80P-HB2 B 2.28 ambi=2 { CB:30.9 } atom: 936 81I-HA A 3.9 ambi=1 { CA:64 } :: atom: 925 80P-HB3 B 2.02 ambi=2 { CB:30.9 } atom: 936 81I-HA A 3.9 ambi=1 { CA:64 } ::sumAvg: 4.165 atom: 924 80P-HB2 B 2.28 ambi=2 { CB:30.9 } atom: 938 81I-HG12 G1 1.37 ambi=2 { CG1:28.7 } :: atom: 924 80P-HB2 B 2.28 ambi=2 { CB:30.9 } atom: 939 81I-HG13 G1 1.64 ambi=2 { CG1:28.7 } :: atom: 925 80P-HB3 B 2.02 ambi=2 { CB:30.9 } atom: 938 81I-HG12 G1 1.37 ambi=2 { CG1:28.7 } ::sumAvg: 3.475 atom: 938 81I-HG12 G1 1.37 ambi=2 { CG1:28.7 } atom: 924 80P-HB2 B 2.28 ambi=2 { CB:30.9 } :: atom: 939 81I-HG13 G1 1.64 ambi=2 { CG1:28.7 } atom: 924 80P-HB2 B 2.28 ambi=2 { CB:30.9 } :: atom: 938 81I-HG12 G1 1.37 ambi=2 { CG1:28.7 } atom: 925 80P-HB3 B 2.02 ambi=2 { CB:30.9 } ::sumAvg: 3.475 atom: 924 80P-HB2 B 2.28 ambi=2 { CB:30.9 } atom: 941 81I-HD1 D1 0.95 ambi=1 { CD1:12.9 } :: atom: 925 80P-HB3 B 2.02 ambi=2 { CB:30.9 } atom: 941 81I-HD1 D1 0.95 ambi=1 { CD1:12.9 } ::sumAvg: 4.845 atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } atom: 935 81I-H N 7.14 ambi=1 { N:118.9 } ::sumAvg: 3.18 atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } atom: 936 81I-HA A 3.9 ambi=1 { CA:64 } ::sumAvg: 4.93 atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } atom: 938 81I-HG12 G1 1.37 ambi=2 { CG1:28.7 } :: atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } atom: 939 81I-HG13 G1 1.64 ambi=2 { CG1:28.7 } ::sumAvg: 3.57 atom: 938 81I-HG12 G1 1.37 ambi=2 { CG1:28.7 } atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } :: atom: 939 81I-HG13 G1 1.64 ambi=2 { CG1:28.7 } atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } ::sumAvg: 3.57 atom: 926 80P-QG G 2.11 ambi=2 { CG:28.5 } atom: 941 81I-HD1 D1 0.95 ambi=1 { CD1:12.9 } ::sumAvg: 4.42 atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } atom: 935 81I-H N 7.14 ambi=1 { N:118.9 } :: atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 935 81I-H N 7.14 ambi=1 { N:118.9 } ::sumAvg: 2.91 atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } atom: 937 81I-HB B 2.2 ambi=1 { CB:37.9 } :: atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 937 81I-HB B 2.2 ambi=1 { CB:37.9 } ::sumAvg: 4.64 atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } atom: 938 81I-HG12 G1 1.37 ambi=2 { CG1:28.7 } :: atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } atom: 939 81I-HG13 G1 1.64 ambi=2 { CG1:28.7 } :: atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 938 81I-HG12 G1 1.37 ambi=2 { CG1:28.7 } :: atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 939 81I-HG13 G1 1.64 ambi=2 { CG1:28.7 } ::sumAvg: 4.15 atom: 938 81I-HG12 G1 1.37 ambi=2 { CG1:28.7 } atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } :: atom: 939 81I-HG13 G1 1.64 ambi=2 { CG1:28.7 } atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } :: atom: 938 81I-HG12 G1 1.37 ambi=2 { CG1:28.7 } atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } :: atom: 939 81I-HG13 G1 1.64 ambi=2 { CG1:28.7 } atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } ::sumAvg: 4.15 atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } atom: 941 81I-HD1 D1 0.95 ambi=1 { CD1:12.9 } :: atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 941 81I-HD1 D1 0.95 ambi=1 { CD1:12.9 } ::sumAvg: 4.585 atom: 941 81I-HD1 D1 0.95 ambi=1 { CD1:12.9 } atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } :: atom: 941 81I-HD1 D1 0.95 ambi=1 { CD1:12.9 } atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } ::sumAvg: 4.585 atom: 928 80P-HD2 D 3.99 ambi=2 { CD:48.2 } atom: 949 82L-H N 8.26 ambi=1 { N:120.4 } :: atom: 929 80P-HD3 D 3.49 ambi=2 { CD:48.2 } atom: 949 82L-H N 8.26 ambi=1 { N:120.4 } ::sumAvg: 4.63 atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } atom: 935 81I-H N 7.14 ambi=1 { N:118.9 } :: atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 935 81I-H N 7.14 ambi=1 { N:118.9 } ::sumAvg: 4.41 atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } atom: 935 81I-H N 7.14 ambi=1 { N:118.9 } ::sumAvg: 4.16 atom: 936 81I-HA A 3.9 ambi=1 { CA:64 } atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } ::sumAvg: 4.385 atom: 936 81I-HA A 3.9 ambi=1 { CA:64 } atom: 983 84K-H N 7.51 ambi=1 { N:117.7 } ::sumAvg: 3.41 atom: 936 81I-HA A 3.9 ambi=1 { CA:64 } atom: 991 84K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.475 atom: 991 84K-QE E 2.93 ambi=2 { CE:41.8 } atom: 936 81I-HA A 3.9 ambi=1 { CA:64 } ::sumAvg: 4.475 atom: 936 81I-HA A 3.9 ambi=1 { CA:64 } atom: 1000 85S-H N 7.81 ambi=1 { N:117.7 } ::sumAvg: 4.66 atom: 937 81I-HB B 2.2 ambi=1 { CB:37.9 } atom: 950 82L-HA A 4.12 ambi=1 { CA:57.7 } ::sumAvg: 4.285 atom: 950 82L-HA A 4.12 ambi=1 { CA:57.7 } atom: 937 81I-HB B 2.2 ambi=1 { CB:37.9 } ::sumAvg: 4.285 atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 937 81I-HB B 2.2 ambi=1 { CB:37.9 } ::sumAvg: 4.785 atom: 938 81I-HG12 G1 1.37 ambi=2 { CG1:28.7 } atom: 949 82L-H N 8.26 ambi=1 { N:120.4 } :: atom: 939 81I-HG13 G1 1.64 ambi=2 { CG1:28.7 } atom: 949 82L-H N 8.26 ambi=1 { N:120.4 } ::sumAvg: 4.315 atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } atom: 940 81I-HG2 G2 1 ambi=1 { CG2:17.8 } :: atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 940 81I-HG2 G2 1 ambi=1 { CG2:17.8 } ::sumAvg: 4.86 atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } atom: 940 81I-HG2 G2 1 ambi=1 { CG2:17.8 } ::sumAvg: 3.71 atom: 940 81I-HG2 G2 1 ambi=1 { CG2:17.8 } atom: 983 84K-H N 7.51 ambi=1 { N:117.7 } ::sumAvg: 4.49 atom: 940 81I-HG2 G2 1 ambi=1 { CG2:17.8 } atom: 1000 85S-H N 7.81 ambi=1 { N:117.7 } ::sumAvg: 4.425 atom: 940 81I-HG2 G2 1 ambi=1 { CG2:17.8 } atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } :: atom: 940 81I-HG2 G2 1 ambi=1 { CG2:17.8 } atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } ::sumAvg: 4.765 atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } atom: 940 81I-HG2 G2 1 ambi=1 { CG2:17.8 } :: atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } atom: 940 81I-HG2 G2 1 ambi=1 { CG2:17.8 } ::sumAvg: 4.765 atom: 941 81I-HD1 D1 0.95 ambi=1 { CD1:12.9 } atom: 949 82L-H N 8.26 ambi=1 { N:120.4 } ::sumAvg: 4.59 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 949 82L-H N 8.26 ambi=1 { N:120.4 } ::sumAvg: 4.505 atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 949 82L-H N 8.26 ambi=1 { N:120.4 } :: atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } atom: 949 82L-H N 8.26 ambi=1 { N:120.4 } ::sumAvg: 4.095 atom: 985 84K-HB2 B 2.2 ambi=2 { CB:31.6 } atom: 950 82L-HA A 4.12 ambi=1 { CA:57.7 } :: atom: 986 84K-HB3 B 2.11 ambi=2 { CB:31.6 } atom: 950 82L-HA A 4.12 ambi=1 { CA:57.7 } ::sumAvg: 4.92 atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } atom: 950 82L-HA A 4.12 ambi=1 { CA:57.7 } ::sumAvg: 2.965 atom: 950 82L-HA A 4.12 ambi=1 { CA:57.7 } atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } ::sumAvg: 3.505 atom: 950 82L-HA A 4.12 ambi=1 { CA:57.7 } atom: 983 84K-H N 7.51 ambi=1 { N:117.7 } ::sumAvg: 4.275 atom: 950 82L-HA A 4.12 ambi=1 { CA:57.7 } atom: 1008 86A-H N 7.43 ambi=1 { N:123.6 } ::sumAvg: 4.79 atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 950 82L-HA A 4.12 ambi=1 { CA:57.7 } :: atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } atom: 950 82L-HA A 4.12 ambi=1 { CA:57.7 } ::sumAvg: 4.335 atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } ::sumAvg: 2.46 atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } ::sumAvg: 2.46 atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } :: atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } ::sumAvg: 2.58 atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } :: atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } ::sumAvg: 4.315 atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } :: atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } ::sumAvg: 4.315 atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } :: atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } ::sumAvg: 4.125 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } :: atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } ::sumAvg: 4.125 atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } atom: 983 84K-H N 7.51 ambi=1 { N:117.7 } :: atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 983 84K-H N 7.51 ambi=1 { N:117.7 } ::sumAvg: 4.95 atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } atom: 1301 110D-HA A 4.55 ambi=1 { CA:57 } :: atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 1301 110D-HA A 4.55 ambi=1 { CA:57 } ::sumAvg: 4.925 atom: 1301 110D-HA A 4.55 ambi=1 { CA:57 } atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } :: atom: 1301 110D-HA A 4.55 ambi=1 { CA:57 } atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } ::sumAvg: 4.925 atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } :: atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } :: atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } :: atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } ::sumAvg: 3.775 atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } :: atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } :: atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } :: atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } ::sumAvg: 3.775 atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } atom: 1308 111V-H N 7.04 ambi=1 { N:119 } :: atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 1308 111V-H N 7.04 ambi=1 { N:119 } ::sumAvg: 4.925 atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } :: atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } ::sumAvg: 3.7 atom: 1311 111V-HG1 G1 0.93 ambi=2 { CG1:23 } atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } :: atom: 1312 111V-HG2 G2 1.37 ambi=2 { CG2:22.5 } atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } :: atom: 1311 111V-HG1 G1 0.93 ambi=2 { CG1:23 } atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } ::sumAvg: 4.18 atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 1335 113K-HB2 B 2.02 ambi=2 { CB:33 } ::sumAvg: 4.215 atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } :: atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } ::sumAvg: 4.14 atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } atom: 1351 114L-HA A 3.99 ambi=1 { CA:58.1 } :: atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 1351 114L-HA A 3.99 ambi=1 { CA:58.1 } ::sumAvg: 4.925 atom: 1351 114L-HA A 3.99 ambi=1 { CA:58.1 } atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } :: atom: 1351 114L-HA A 3.99 ambi=1 { CA:58.1 } atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } ::sumAvg: 4.925 atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } :: atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } ::sumAvg: 2.35 atom: 951 82L-HB2 B 1.94 ambi=2 { CB:40.6 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } :: atom: 952 82L-HB3 B 1.61 ambi=2 { CB:40.6 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 4.635 atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } ::sumAvg: 4.38 atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } :: atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } ::sumAvg: 4.695 atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } :: atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } ::sumAvg: 4.695 atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } ::sumAvg: 4.735 atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } ::sumAvg: 4.735 atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } ::sumAvg: 4.15 atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } :: atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } ::sumAvg: 4.15 atom: 953 82L-HG G 2.08 ambi=1 { CG:26.3 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 4.415 atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } atom: 954 82L-HD1 D1 0.83 ambi=2 { CD1:25.4 } :: atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } atom: 954 82L-HD1 D1 0.83 ambi=2 { CD1:25.4 } :: atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } atom: 955 82L-HD2 D2 0.93 ambi=2 { CD2:21 } :: atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } atom: 955 82L-HD2 D2 0.93 ambi=2 { CD2:21 } ::sumAvg: 4.245 atom: 954 82L-HD1 D1 0.83 ambi=2 { CD1:25.4 } atom: 1300 110D-H N 7.27 ambi=1 { N:121.1 } :: atom: 955 82L-HD2 D2 0.93 ambi=2 { CD2:21 } atom: 1300 110D-H N 7.27 ambi=1 { N:121.1 } ::sumAvg: 4.46 atom: 954 82L-HD1 D1 0.83 ambi=2 { CD1:25.4 } atom: 1308 111V-H N 7.04 ambi=1 { N:119 } :: atom: 955 82L-HD2 D2 0.93 ambi=2 { CD2:21 } atom: 1308 111V-H N 7.04 ambi=1 { N:119 } ::sumAvg: 4.32 atom: 1337 113K-HG2 G 1.74 ambi=2 { CG:26.1 } atom: 954 82L-HD1 D1 0.83 ambi=2 { CD1:25.4 } :: atom: 1338 113K-HG3 G 1.3 ambi=2 { CG:26.1 } atom: 954 82L-HD1 D1 0.83 ambi=2 { CD1:25.4 } :: atom: 1337 113K-HG2 G 1.74 ambi=2 { CG:26.1 } atom: 955 82L-HD2 D2 0.93 ambi=2 { CD2:21 } ::sumAvg: 3.905 atom: 954 82L-HD1 D1 0.83 ambi=2 { CD1:25.4 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } :: atom: 955 82L-HD2 D2 0.93 ambi=2 { CD2:21 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } ::sumAvg: 3.485 atom: 954 82L-HD1 D1 0.83 ambi=2 { CD1:25.4 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } :: atom: 955 82L-HD2 D2 0.93 ambi=2 { CD2:21 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 2.505 atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } :: atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } atom: 963 83W-H N 8.74 ambi=1 { N:116.6 } ::sumAvg: 3.32 atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } ::sumAvg: 4.86 atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } ::sumAvg: 4.86 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } ::sumAvg: 2.28 atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } ::sumAvg: 3.445 atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } atom: 983 84K-H N 7.51 ambi=1 { N:117.7 } ::sumAvg: 3.485 atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } atom: 1000 85S-H N 7.81 ambi=1 { N:117.7 } ::sumAvg: 4.295 atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } ::sumAvg: 4.125 atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } ::sumAvg: 4.875 atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } atom: 1311 111V-HG1 G1 0.93 ambi=2 { CG1:23 } :: atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } atom: 1312 111V-HG2 G2 1.37 ambi=2 { CG2:22.5 } ::sumAvg: 4.35 atom: 1311 111V-HG1 G1 0.93 ambi=2 { CG1:23 } atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } :: atom: 1312 111V-HG2 G2 1.37 ambi=2 { CG2:22.5 } atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } ::sumAvg: 4.35 atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 964 83W-HA A 4.44 ambi=1 { CA:59.1 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } ::sumAvg: 2.8 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } ::sumAvg: 4.27 atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } ::sumAvg: 4.27 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 985 84K-HB2 B 2.2 ambi=2 { CB:31.6 } :: atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 986 84K-HB3 B 2.11 ambi=2 { CB:31.6 } ::sumAvg: 4.935 atom: 985 84K-HB2 B 2.2 ambi=2 { CB:31.6 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } :: atom: 986 84K-HB3 B 2.11 ambi=2 { CB:31.6 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } ::sumAvg: 4.935 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } ::sumAvg: 2.465 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 968 83W-HE1 E1 10.26 ambi=1 { NE1:129.3 } ::sumAvg: 4.41 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } ::sumAvg: 2.755 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 971 83W-HZ3 Z3 6.68 ambi=1 { CZ3:121.6 } ::sumAvg: 4.915 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 983 84K-H N 7.51 ambi=1 { N:117.7 } ::sumAvg: 3.05 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 987 84K-HG2 G 1.82 ambi=2 { CG:25.5 } :: atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 988 84K-HG3 G 1.59 ambi=2 { CG:25.5 } ::sumAvg: 4.8 atom: 987 84K-HG2 G 1.82 ambi=2 { CG:25.5 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } :: atom: 988 84K-HG3 G 1.59 ambi=2 { CG:25.5 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } ::sumAvg: 4.8 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 1000 85S-H N 7.81 ambi=1 { N:117.7 } ::sumAvg: 4.855 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } ::sumAvg: 4.325 atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } ::sumAvg: 4.325 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } ::sumAvg: 4.88 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } ::sumAvg: 4.78 atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 965 83W-QB B 3.18 ambi=2 { CB:29.9 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } ::sumAvg: 3.07 atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } ::sumAvg: 4.975 atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } :: atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } atom: 967 83W-HD1 D1 7.14 ambi=1 { CD1:123.5 } ::sumAvg: 4.91 atom: 984 84K-HA A 3.88 ambi=1 { CA:60.2 } atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } ::sumAvg: 4.78 atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } ::sumAvg: 4.27 atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } ::sumAvg: 4.005 atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } :: atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } atom: 969 83W-HE3 E3 7.17 ambi=1 { CE3:120.4 } ::sumAvg: 4.615 atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 970 83W-HZ2 Z2 7.14 ambi=1 { CZ2:114.2 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 970 83W-HZ2 Z2 7.14 ambi=1 { CZ2:114.2 } ::sumAvg: 4.895 atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 971 83W-HZ3 Z3 6.68 ambi=1 { CZ3:121.6 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 971 83W-HZ3 Z3 6.68 ambi=1 { CZ3:121.6 } ::sumAvg: 4.6 atom: 990 84K-HD3 D 1.86 ambi=2 { CD:29.4 } atom: 983 84K-H N 7.51 ambi=1 { N:117.7 } :: atom: 989 84K-HD2 D 1.61 ambi=2 { CD:29.4 } atom: 983 84K-H N 7.51 ambi=1 { N:117.7 } ::sumAvg: 4.45 atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } atom: 983 84K-H N 7.51 ambi=1 { N:117.7 } :: atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } atom: 983 84K-H N 7.51 ambi=1 { N:117.7 } ::sumAvg: 4.94 atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 983 84K-H N 7.51 ambi=1 { N:117.7 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 983 84K-H N 7.51 ambi=1 { N:117.7 } ::sumAvg: 4.965 atom: 987 84K-HG2 G 1.82 ambi=2 { CG:25.5 } atom: 991 84K-QE E 2.93 ambi=2 { CE:41.8 } :: atom: 988 84K-HG3 G 1.59 ambi=2 { CG:25.5 } atom: 991 84K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 2.37 atom: 987 84K-HG2 G 1.82 ambi=2 { CG:25.5 } atom: 1000 85S-H N 7.81 ambi=1 { N:117.7 } :: atom: 988 84K-HG3 G 1.59 ambi=2 { CG:25.5 } atom: 1000 85S-H N 7.81 ambi=1 { N:117.7 } ::sumAvg: 4.09 atom: 987 84K-HG2 G 1.82 ambi=2 { CG:25.5 } atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } :: atom: 987 84K-HG2 G 1.82 ambi=2 { CG:25.5 } atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } :: atom: 988 84K-HG3 G 1.59 ambi=2 { CG:25.5 } atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } :: atom: 988 84K-HG3 G 1.59 ambi=2 { CG:25.5 } atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } ::sumAvg: 4.11 atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 987 84K-HG2 G 1.82 ambi=2 { CG:25.5 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 987 84K-HG2 G 1.82 ambi=2 { CG:25.5 } :: atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 988 84K-HG3 G 1.59 ambi=2 { CG:25.5 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 988 84K-HG3 G 1.59 ambi=2 { CG:25.5 } ::sumAvg: 4.11 atom: 990 84K-HD3 D 1.86 ambi=2 { CD:29.4 } atom: 991 84K-QE E 2.93 ambi=2 { CE:41.8 } :: atom: 989 84K-HD2 D 1.61 ambi=2 { CD:29.4 } atom: 991 84K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 2.35 atom: 991 84K-QE E 2.93 ambi=2 { CE:41.8 } atom: 990 84K-HD3 D 1.86 ambi=2 { CD:29.4 } :: atom: 991 84K-QE E 2.93 ambi=2 { CE:41.8 } atom: 989 84K-HD2 D 1.61 ambi=2 { CD:29.4 } ::sumAvg: 2.35 atom: 990 84K-HD3 D 1.86 ambi=2 { CD:29.4 } atom: 1000 85S-H N 7.81 ambi=1 { N:117.7 } :: atom: 989 84K-HD2 D 1.61 ambi=2 { CD:29.4 } atom: 1000 85S-H N 7.81 ambi=1 { N:117.7 } ::sumAvg: 4.95 atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } atom: 1000 85S-H N 7.81 ambi=1 { N:117.7 } ::sumAvg: 4.44 atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } atom: 1000 85S-H N 7.81 ambi=1 { N:117.7 } :: atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } atom: 1000 85S-H N 7.81 ambi=1 { N:117.7 } ::sumAvg: 4.88 atom: 1001 85S-HA A 4.2 ambi=1 { CA:62.3 } atom: 1008 86A-H N 7.43 ambi=1 { N:123.6 } ::sumAvg: 3.54 atom: 1001 85S-HA A 4.2 ambi=1 { CA:62.3 } atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } ::sumAvg: 4.72 atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } atom: 1001 85S-HA A 4.2 ambi=1 { CA:62.3 } ::sumAvg: 4.72 atom: 1001 85S-HA A 4.2 ambi=1 { CA:62.3 } atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } ::sumAvg: 4.42 atom: 1001 85S-HA A 4.2 ambi=1 { CA:62.3 } atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } ::sumAvg: 3.88 atom: 1001 85S-HA A 4.2 ambi=1 { CA:62.3 } atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } ::sumAvg: 4.435 atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } atom: 1001 85S-HA A 4.2 ambi=1 { CA:62.3 } ::sumAvg: 4.435 atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } ::sumAvg: 4.42 atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } ::sumAvg: 4.42 atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } :: atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } ::sumAvg: 4.405 atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } :: atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } ::sumAvg: 4.77 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } :: atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } ::sumAvg: 4.77 atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } atom: 1260 107L-HB2 B 1.84 ambi=2 { CB:42.2 } :: atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } :: atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } atom: 1260 107L-HB2 B 1.84 ambi=2 { CB:42.2 } :: atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } ::sumAvg: 4.78 atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } atom: 1262 107L-HG G 1.77 ambi=1 { CG:27.1 } :: atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } atom: 1262 107L-HG G 1.77 ambi=1 { CG:27.1 } ::sumAvg: 4.285 atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } :: atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } :: atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } :: atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } ::sumAvg: 2.755 atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } :: atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } :: atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } :: atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } ::sumAvg: 4.25 atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } :: atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } atom: 1002 85S-HB2 B 3.99 ambi=2 { CB:62.3 } :: atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } :: atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } atom: 1003 85S-HB3 B 4.43 ambi=2 { CB:62.3 } ::sumAvg: 4.25 atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 1008 86A-H N 7.43 ambi=1 { N:123.6 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 1008 86A-H N 7.43 ambi=1 { N:123.6 } ::sumAvg: 4.62 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1008 86A-H N 7.43 ambi=1 { N:123.6 } ::sumAvg: 4.895 atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 1008 86A-H N 7.43 ambi=1 { N:123.6 } :: atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } atom: 1008 86A-H N 7.43 ambi=1 { N:123.6 } ::sumAvg: 4.685 atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } ::sumAvg: 3.48 atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } atom: 1044 89L-H N 7.6 ambi=1 { N:120.7 } ::sumAvg: 3.515 atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } :: atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } ::sumAvg: 3.35 atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } ::sumAvg: 2.93 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } ::sumAvg: 2.93 atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } :: atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } ::sumAvg: 3.39 atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } :: atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } atom: 1009 86A-HA A 3.72 ambi=1 { CA:55.1 } ::sumAvg: 3.39 atom: 1016 87W-HA A 4.03 ambi=1 { CA:59.6 } atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } ::sumAvg: 3.84 atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } :: atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } ::sumAvg: 4.155 atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } ::sumAvg: 4.155 atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } ::sumAvg: 4.695 atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } atom: 1044 89L-H N 7.6 ambi=1 { N:120.7 } ::sumAvg: 4.62 atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } ::sumAvg: 4.165 atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } ::sumAvg: 4.165 atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } atom: 1048 89L-HG G 0.71 ambi=1 { CG:26.4 } ::sumAvg: 4.94 atom: 1048 89L-HG G 0.71 ambi=1 { CG:26.4 } atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } ::sumAvg: 4.94 atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } ::sumAvg: 4.805 atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } atom: 1010 86A-HB B 1.15 ambi=1 { CB:18.7 } ::sumAvg: 4.805 atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } atom: 1015 87W-H N 8.48 ambi=1 { N:118.2 } ::sumAvg: 4.96 atom: 1016 87W-HA A 4.03 ambi=1 { CA:59.6 } atom: 1019 87W-HD1 D1 7.33 ambi=1 { CD1:126.7 } ::sumAvg: 3.2 atom: 1016 87W-HA A 4.03 ambi=1 { CA:59.6 } atom: 1021 87W-HE3 E3 7.28 ambi=1 { CE3:120.4 } ::sumAvg: 3.735 atom: 1016 87W-HA A 4.03 ambi=1 { CA:59.6 } atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } ::sumAvg: 3.5 atom: 1016 87W-HA A 4.03 ambi=1 { CA:59.6 } atom: 1044 89L-H N 7.6 ambi=1 { N:120.7 } ::sumAvg: 4.225 atom: 1060 90H-HB2 B 2.59 ambi=2 { CB:27.8 } atom: 1016 87W-HA A 4.03 ambi=1 { CA:59.6 } :: atom: 1061 90H-HB3 B 2.06 ambi=2 { CB:27.8 } atom: 1016 87W-HA A 4.03 ambi=1 { CA:59.6 } ::sumAvg: 3.36 atom: 1016 87W-HA A 4.03 ambi=1 { CA:59.6 } atom: 1068 91V-HB B 1.78 ambi=1 { CB:31.9 } ::sumAvg: 4.995 atom: 1068 91V-HB B 1.78 ambi=1 { CB:31.9 } atom: 1016 87W-HA A 4.03 ambi=1 { CA:59.6 } ::sumAvg: 4.995 atom: 1016 87W-HA A 4.03 ambi=1 { CA:59.6 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1016 87W-HA A 4.03 ambi=1 { CA:59.6 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } ::sumAvg: 3.98 atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } atom: 1016 87W-HA A 4.03 ambi=1 { CA:59.6 } :: atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } atom: 1016 87W-HA A 4.03 ambi=1 { CA:59.6 } ::sumAvg: 3.98 atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 1019 87W-HD1 D1 7.33 ambi=1 { CD1:126.7 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 1019 87W-HD1 D1 7.33 ambi=1 { CD1:126.7 } ::sumAvg: 2.82 atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 1020 87W-HE1 E1 10.27 ambi=1 { NE1:129.3 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 1020 87W-HE1 E1 10.27 ambi=1 { NE1:129.3 } ::sumAvg: 4.91 atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 1021 87W-HE3 E3 7.28 ambi=1 { CE3:120.4 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 1021 87W-HE3 E3 7.28 ambi=1 { CE3:120.4 } ::sumAvg: 2.72 atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 1036 88T-HA A 3.78 ambi=1 { CA:67.1 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 1036 88T-HA A 3.78 ambi=1 { CA:67.1 } ::sumAvg: 4.255 atom: 1036 88T-HA A 3.78 ambi=1 { CA:67.1 } atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } :: atom: 1036 88T-HA A 3.78 ambi=1 { CA:67.1 } atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } ::sumAvg: 4.255 atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } ::sumAvg: 4.4 atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } :: atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } ::sumAvg: 4.4 atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 1044 89L-H N 7.6 ambi=1 { N:120.7 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 1044 89L-H N 7.6 ambi=1 { N:120.7 } ::sumAvg: 4.975 atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1017 87W-HB2 B 2.51 ambi=2 { CB:28.8 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1018 87W-HB3 B 3.19 ambi=2 { CB:28.8 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } ::sumAvg: 4.39 atom: 1036 88T-HA A 3.78 ambi=1 { CA:67.1 } atom: 1021 87W-HE3 E3 7.28 ambi=1 { CE3:120.4 } ::sumAvg: 4.895 atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } atom: 1021 87W-HE3 E3 7.28 ambi=1 { CE3:120.4 } :: atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } atom: 1021 87W-HE3 E3 7.28 ambi=1 { CE3:120.4 } ::sumAvg: 4.535 atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } :: atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } ::sumAvg: 4.795 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1035 88T-H N 8.27 ambi=1 { N:115.8 } ::sumAvg: 4.985 atom: 1036 88T-HA A 3.78 ambi=1 { CA:67.1 } atom: 1037 88T-HB B 4.46 ambi=1 { CB:68.3 } ::sumAvg: 2.755 atom: 1037 88T-HB B 4.46 ambi=1 { CB:68.3 } atom: 1036 88T-HA A 3.78 ambi=1 { CA:67.1 } ::sumAvg: 2.755 atom: 1036 88T-HA A 3.78 ambi=1 { CA:67.1 } atom: 1044 89L-H N 7.6 ambi=1 { N:120.7 } ::sumAvg: 3.445 atom: 1036 88T-HA A 3.78 ambi=1 { CA:67.1 } atom: 1058 90H-H N 7.46 ambi=1 { N:117.1 } ::sumAvg: 4.05 atom: 1036 88T-HA A 3.78 ambi=1 { CA:67.1 } atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } :: atom: 1036 88T-HA A 3.78 ambi=1 { CA:67.1 } atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } ::sumAvg: 4.895 atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 1036 88T-HA A 3.78 ambi=1 { CA:67.1 } :: atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 1036 88T-HA A 3.78 ambi=1 { CA:67.1 } ::sumAvg: 4.895 atom: 1036 88T-HA A 3.78 ambi=1 { CA:67.1 } atom: 1081 92E-HG2 G 2.16 ambi=2 { CG:34.6 } :: atom: 1036 88T-HA A 3.78 ambi=1 { CA:67.1 } atom: 1082 92E-HG3 G 2.34 ambi=2 { CG:34.6 } ::sumAvg: 4.925 atom: 1081 92E-HG2 G 2.16 ambi=2 { CG:34.6 } atom: 1036 88T-HA A 3.78 ambi=1 { CA:67.1 } :: atom: 1082 92E-HG3 G 2.34 ambi=2 { CG:34.6 } atom: 1036 88T-HA A 3.78 ambi=1 { CA:67.1 } ::sumAvg: 4.925 atom: 1037 88T-HB B 4.46 ambi=1 { CB:68.3 } atom: 1044 89L-H N 7.6 ambi=1 { N:120.7 } ::sumAvg: 3.36 atom: 1037 88T-HB B 4.46 ambi=1 { CB:68.3 } atom: 1045 89L-HA A 3.81 ambi=1 { CA:58.3 } ::sumAvg: 4.495 atom: 1045 89L-HA A 3.81 ambi=1 { CA:58.3 } atom: 1037 88T-HB B 4.46 ambi=1 { CB:68.3 } ::sumAvg: 4.495 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1037 88T-HB B 4.46 ambi=1 { CB:68.3 } ::sumAvg: 4.405 atom: 1037 88T-HB B 4.46 ambi=1 { CB:68.3 } atom: 1058 90H-H N 7.46 ambi=1 { N:117.1 } ::sumAvg: 4.975 atom: 1045 89L-HA A 3.81 ambi=1 { CA:58.3 } atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } ::sumAvg: 4.375 atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } atom: 1048 89L-HG G 0.71 ambi=1 { CG:26.4 } ::sumAvg: 4.825 atom: 1048 89L-HG G 0.71 ambi=1 { CG:26.4 } atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } ::sumAvg: 4.825 atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } atom: 1058 90H-H N 7.46 ambi=1 { N:117.1 } ::sumAvg: 4.855 atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } atom: 1068 91V-HB B 1.78 ambi=1 { CB:31.9 } ::sumAvg: 4.655 atom: 1068 91V-HB B 1.78 ambi=1 { CB:31.9 } atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } ::sumAvg: 4.655 atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } ::sumAvg: 4.7 atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } :: atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } ::sumAvg: 4.7 atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } atom: 1078 92E-HA A 4.06 ambi=1 { CA:58.1 } ::sumAvg: 4.965 atom: 1078 92E-HA A 4.06 ambi=1 { CA:58.1 } atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } ::sumAvg: 4.965 atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } :: atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } ::sumAvg: 4.5 atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } :: atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } ::sumAvg: 4.185 atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } :: atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } atom: 1038 88T-HG2 G2 1.17 ambi=1 { CG2:22.3 } ::sumAvg: 4.185 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1044 89L-H N 7.6 ambi=1 { N:120.7 } ::sumAvg: 3.39 atom: 1060 90H-HB2 B 2.59 ambi=2 { CB:27.8 } atom: 1044 89L-H N 7.6 ambi=1 { N:120.7 } :: atom: 1061 90H-HB3 B 2.06 ambi=2 { CB:27.8 } atom: 1044 89L-H N 7.6 ambi=1 { N:120.7 } ::sumAvg: 4.715 atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } atom: 1044 89L-H N 7.6 ambi=1 { N:120.7 } :: atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } atom: 1044 89L-H N 7.6 ambi=1 { N:120.7 } ::sumAvg: 4.71 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1045 89L-HA A 3.81 ambi=1 { CA:58.3 } ::sumAvg: 2.01 atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 1045 89L-HA A 3.81 ambi=1 { CA:58.3 } :: atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 1045 89L-HA A 3.81 ambi=1 { CA:58.3 } ::sumAvg: 4.05 atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } :: atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } ::sumAvg: 2.12 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } :: atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } ::sumAvg: 2.12 atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } atom: 1058 90H-H N 7.46 ambi=1 { N:117.1 } :: atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } atom: 1058 90H-H N 7.46 ambi=1 { N:117.1 } ::sumAvg: 2.745 atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } atom: 1059 90H-HA A 3.94 ambi=1 { CA:57.2 } :: atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } atom: 1059 90H-HA A 3.94 ambi=1 { CA:57.2 } ::sumAvg: 4.395 atom: 1059 90H-HA A 3.94 ambi=1 { CA:57.2 } atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } :: atom: 1059 90H-HA A 3.94 ambi=1 { CA:57.2 } atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } ::sumAvg: 4.395 atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } atom: 1060 90H-HB2 B 2.59 ambi=2 { CB:27.8 } :: atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } atom: 1061 90H-HB3 B 2.06 ambi=2 { CB:27.8 } ::sumAvg: 4.375 atom: 1060 90H-HB2 B 2.59 ambi=2 { CB:27.8 } atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } :: atom: 1061 90H-HB3 B 2.06 ambi=2 { CB:27.8 } atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } ::sumAvg: 4.375 atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } :: atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } :: atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } :: atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } ::sumAvg: 3.49 atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } :: atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } atom: 1046 89L-HB2 B 2.27 ambi=2 { CB:41.4 } :: atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } :: atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } atom: 1047 89L-HB3 B 1.51 ambi=2 { CB:41.4 } ::sumAvg: 3.49 atom: 1048 89L-HG G 0.71 ambi=1 { CG:26.4 } atom: 1059 90H-HA A 3.94 ambi=1 { CA:57.2 } ::sumAvg: 4.96 atom: 1059 90H-HA A 3.94 ambi=1 { CA:57.2 } atom: 1048 89L-HG G 0.71 ambi=1 { CG:26.4 } ::sumAvg: 4.96 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1058 90H-H N 7.46 ambi=1 { N:117.1 } ::sumAvg: 3.98 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1059 90H-HA A 3.94 ambi=1 { CA:57.2 } ::sumAvg: 4.645 atom: 1059 90H-HA A 3.94 ambi=1 { CA:57.2 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } ::sumAvg: 4.645 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } :: atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } ::sumAvg: 4.525 atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } :: atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } ::sumAvg: 4.525 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } ::sumAvg: 4.4 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1089 93G-HA2 A 3.84 ambi=2 { CA:46.6 } :: atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1090 93G-HA3 A 3.91 ambi=2 { CA:46.6 } ::sumAvg: 4.48 atom: 1089 93G-HA2 A 3.84 ambi=2 { CA:46.6 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } :: atom: 1090 93G-HA3 A 3.91 ambi=2 { CA:46.6 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } ::sumAvg: 4.48 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1149 99L-H N 7.54 ambi=1 { N:122.1 } ::sumAvg: 4.905 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1150 99L-HA A 4.52 ambi=1 { CA:54.5 } ::sumAvg: 4.65 atom: 1150 99L-HA A 4.52 ambi=1 { CA:54.5 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } ::sumAvg: 4.65 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1151 99L-HB2 B 1.61 ambi=2 { CB:44 } ::sumAvg: 3.475 atom: 1151 99L-HB2 B 1.61 ambi=2 { CB:44 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } ::sumAvg: 3.475 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1153 99L-HG G 1.47 ambi=1 { CG:26.5 } ::sumAvg: 3.475 atom: 1153 99L-HG G 1.47 ambi=1 { CG:26.5 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } ::sumAvg: 3.475 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } :: atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } ::sumAvg: 3.95 atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } :: atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } ::sumAvg: 3.95 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } ::sumAvg: 4.96 atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } ::sumAvg: 4.96 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1213 104V-H N 8.15 ambi=1 { N:119.2 } ::sumAvg: 4.995 atom: 1049 89L-QD D 1.03 ambi=2 { QCD:26 } atom: 1258 107L-H N 8.12 ambi=1 { N:119.5 } ::sumAvg: 4.98 atom: 1067 91V-HA A 3.17 ambi=1 { CA:64.9 } atom: 1058 90H-H N 7.46 ambi=1 { N:117.1 } ::sumAvg: 4.985 atom: 1059 90H-HA A 3.94 ambi=1 { CA:57.2 } atom: 1066 91V-H N 7.96 ambi=1 { N:116.4 } ::sumAvg: 3.53 atom: 1059 90H-HA A 3.94 ambi=1 { CA:57.2 } atom: 1067 91V-HA A 3.17 ambi=1 { CA:64.9 } ::sumAvg: 4.705 atom: 1067 91V-HA A 3.17 ambi=1 { CA:64.9 } atom: 1059 90H-HA A 3.94 ambi=1 { CA:57.2 } ::sumAvg: 4.705 atom: 1059 90H-HA A 3.94 ambi=1 { CA:57.2 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1059 90H-HA A 3.94 ambi=1 { CA:57.2 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } ::sumAvg: 4.89 atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } atom: 1059 90H-HA A 3.94 ambi=1 { CA:57.2 } :: atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } atom: 1059 90H-HA A 3.94 ambi=1 { CA:57.2 } ::sumAvg: 4.89 atom: 1059 90H-HA A 3.94 ambi=1 { CA:57.2 } atom: 1077 92E-H N 8.31 ambi=1 { N:119.5 } ::sumAvg: 4.675 atom: 1060 90H-HB2 B 2.59 ambi=2 { CB:27.8 } atom: 1066 91V-H N 7.96 ambi=1 { N:116.4 } :: atom: 1061 90H-HB3 B 2.06 ambi=2 { CB:27.8 } atom: 1066 91V-H N 7.96 ambi=1 { N:116.4 } ::sumAvg: 2.59 atom: 1060 90H-HB2 B 2.59 ambi=2 { CB:27.8 } atom: 1067 91V-HA A 3.17 ambi=1 { CA:64.9 } :: atom: 1061 90H-HB3 B 2.06 ambi=2 { CB:27.8 } atom: 1067 91V-HA A 3.17 ambi=1 { CA:64.9 } ::sumAvg: 4.355 atom: 1067 91V-HA A 3.17 ambi=1 { CA:64.9 } atom: 1060 90H-HB2 B 2.59 ambi=2 { CB:27.8 } :: atom: 1067 91V-HA A 3.17 ambi=1 { CA:64.9 } atom: 1061 90H-HB3 B 2.06 ambi=2 { CB:27.8 } ::sumAvg: 4.355 atom: 1060 90H-HB2 B 2.59 ambi=2 { CB:27.8 } atom: 1068 91V-HB B 1.78 ambi=1 { CB:31.9 } ::sumAvg: 4.725 atom: 1068 91V-HB B 1.78 ambi=1 { CB:31.9 } atom: 1060 90H-HB2 B 2.59 ambi=2 { CB:27.8 } ::sumAvg: 4.725 atom: 1060 90H-HB2 B 2.59 ambi=2 { CB:27.8 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1060 90H-HB2 B 2.59 ambi=2 { CB:27.8 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } :: atom: 1061 90H-HB3 B 2.06 ambi=2 { CB:27.8 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1061 90H-HB3 B 2.06 ambi=2 { CB:27.8 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } ::sumAvg: 3.315 atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } atom: 1060 90H-HB2 B 2.59 ambi=2 { CB:27.8 } :: atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } atom: 1060 90H-HB2 B 2.59 ambi=2 { CB:27.8 } :: atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } atom: 1061 90H-HB3 B 2.06 ambi=2 { CB:27.8 } :: atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } atom: 1061 90H-HB3 B 2.06 ambi=2 { CB:27.8 } ::sumAvg: 3.315 atom: 1060 90H-HB2 B 2.59 ambi=2 { CB:27.8 } atom: 1077 92E-H N 8.31 ambi=1 { N:119.5 } :: atom: 1061 90H-HB3 B 2.06 ambi=2 { CB:27.8 } atom: 1077 92E-H N 8.31 ambi=1 { N:119.5 } ::sumAvg: 4.925 atom: 1078 92E-HA A 4.06 ambi=1 { CA:58.1 } atom: 1066 91V-H N 7.96 ambi=1 { N:116.4 } ::sumAvg: 4.92 atom: 1067 91V-HA A 3.17 ambi=1 { CA:64.9 } atom: 1077 92E-H N 8.31 ambi=1 { N:119.5 } ::sumAvg: 3.435 atom: 1067 91V-HA A 3.17 ambi=1 { CA:64.9 } atom: 1078 92E-HA A 4.06 ambi=1 { CA:58.1 } ::sumAvg: 4.92 atom: 1078 92E-HA A 4.06 ambi=1 { CA:58.1 } atom: 1067 91V-HA A 3.17 ambi=1 { CA:64.9 } ::sumAvg: 4.92 atom: 1067 91V-HA A 3.17 ambi=1 { CA:64.9 } atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } ::sumAvg: 4.415 atom: 1068 91V-HB B 1.78 ambi=1 { CB:31.9 } atom: 1082 92E-HG3 G 2.34 ambi=2 { CG:34.6 } ::sumAvg: 4.67 atom: 1082 92E-HG3 G 2.34 ambi=2 { CG:34.6 } atom: 1068 91V-HB B 1.78 ambi=1 { CB:31.9 } ::sumAvg: 4.67 atom: 1068 91V-HB B 1.78 ambi=1 { CB:31.9 } atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } ::sumAvg: 4.71 atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } atom: 1078 92E-HA A 4.06 ambi=1 { CA:58.1 } :: atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } atom: 1078 92E-HA A 4.06 ambi=1 { CA:58.1 } ::sumAvg: 3.685 atom: 1078 92E-HA A 4.06 ambi=1 { CA:58.1 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1078 92E-HA A 4.06 ambi=1 { CA:58.1 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } ::sumAvg: 3.685 atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } :: atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } :: atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } :: atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } ::sumAvg: 4.295 atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } :: atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } ::sumAvg: 4.295 atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } atom: 1081 92E-HG2 G 2.16 ambi=2 { CG:34.6 } :: atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } atom: 1082 92E-HG3 G 2.34 ambi=2 { CG:34.6 } :: atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } atom: 1081 92E-HG2 G 2.16 ambi=2 { CG:34.6 } :: atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } atom: 1082 92E-HG3 G 2.34 ambi=2 { CG:34.6 } ::sumAvg: 3.705 atom: 1081 92E-HG2 G 2.16 ambi=2 { CG:34.6 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1082 92E-HG3 G 2.34 ambi=2 { CG:34.6 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1081 92E-HG2 G 2.16 ambi=2 { CG:34.6 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } :: atom: 1082 92E-HG3 G 2.34 ambi=2 { CG:34.6 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } ::sumAvg: 3.705 atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } atom: 1089 93G-HA2 A 3.84 ambi=2 { CA:46.6 } :: atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } atom: 1090 93G-HA3 A 3.91 ambi=2 { CA:46.6 } :: atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } atom: 1089 93G-HA2 A 3.84 ambi=2 { CA:46.6 } :: atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } atom: 1090 93G-HA3 A 3.91 ambi=2 { CA:46.6 } ::sumAvg: 4.625 atom: 1089 93G-HA2 A 3.84 ambi=2 { CA:46.6 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1090 93G-HA3 A 3.91 ambi=2 { CA:46.6 } atom: 1069 91V-HG1 G1 0.43 ambi=2 { CG1:20.9 } :: atom: 1089 93G-HA2 A 3.84 ambi=2 { CA:46.6 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } :: atom: 1090 93G-HA3 A 3.91 ambi=2 { CA:46.6 } atom: 1070 91V-HG2 G2 0.59 ambi=2 { CG2:21.5 } ::sumAvg: 4.625 atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 1077 92E-H N 8.31 ambi=1 { N:119.5 } :: atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 1077 92E-H N 8.31 ambi=1 { N:119.5 } ::sumAvg: 2.935 atom: 1081 92E-HG2 G 2.16 ambi=2 { CG:34.6 } atom: 1077 92E-H N 8.31 ambi=1 { N:119.5 } :: atom: 1082 92E-HG3 G 2.34 ambi=2 { CG:34.6 } atom: 1077 92E-H N 8.31 ambi=1 { N:119.5 } ::sumAvg: 3.36 atom: 1089 93G-HA2 A 3.84 ambi=2 { CA:46.6 } atom: 1077 92E-H N 8.31 ambi=1 { N:119.5 } :: atom: 1090 93G-HA3 A 3.91 ambi=2 { CA:46.6 } atom: 1077 92E-H N 8.31 ambi=1 { N:119.5 } ::sumAvg: 4.6 atom: 1078 92E-HA A 4.06 ambi=1 { CA:58.1 } atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } ::sumAvg: 2.875 atom: 1078 92E-HA A 4.06 ambi=1 { CA:58.1 } atom: 1094 94F-H N 7.37 ambi=1 { N:117.3 } ::sumAvg: 4.97 atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 1082 92E-HG3 G 2.34 ambi=2 { CG:34.6 } ::sumAvg: 2.35 atom: 1082 92E-HG3 G 2.34 ambi=2 { CG:34.6 } atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } ::sumAvg: 2.35 atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } :: atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } ::sumAvg: 3.37 atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 1089 93G-HA2 A 3.84 ambi=2 { CA:46.6 } :: atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 1090 93G-HA3 A 3.91 ambi=2 { CA:46.6 } :: atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 1089 93G-HA2 A 3.84 ambi=2 { CA:46.6 } :: atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 1090 93G-HA3 A 3.91 ambi=2 { CA:46.6 } ::sumAvg: 4.515 atom: 1089 93G-HA2 A 3.84 ambi=2 { CA:46.6 } atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } :: atom: 1090 93G-HA3 A 3.91 ambi=2 { CA:46.6 } atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } :: atom: 1089 93G-HA2 A 3.84 ambi=2 { CA:46.6 } atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } :: atom: 1090 93G-HA3 A 3.91 ambi=2 { CA:46.6 } atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } ::sumAvg: 4.515 atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } :: atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } :: atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } :: atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } ::sumAvg: 4.425 atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } :: atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } atom: 1079 92E-HB2 B 1.86 ambi=2 { CB:28.1 } :: atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } :: atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } atom: 1080 92E-HB3 B 1.99 ambi=2 { CB:28.1 } ::sumAvg: 4.425 atom: 1081 92E-HG2 G 2.16 ambi=2 { CG:34.6 } atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } :: atom: 1082 92E-HG3 G 2.34 ambi=2 { CG:34.6 } atom: 1088 93G-H N 7.62 ambi=1 { N:106.1 } ::sumAvg: 4.37 atom: 1089 93G-HA2 A 3.84 ambi=2 { CA:46.6 } atom: 1095 94F-HA A 4.52 ambi=1 { CA:58.2 } :: atom: 1090 93G-HA3 A 3.91 ambi=2 { CA:46.6 } atom: 1095 94F-HA A 4.52 ambi=1 { CA:58.2 } ::sumAvg: 4.625 atom: 1089 93G-HA2 A 3.84 ambi=2 { CA:46.6 } atom: 1096 94F-HB2 B 2.82 ambi=2 { CB:38.9 } :: atom: 1089 93G-HA2 A 3.84 ambi=2 { CA:46.6 } atom: 1097 94F-HB3 B 3.1 ambi=2 { CB:38.9 } :: atom: 1090 93G-HA3 A 3.91 ambi=2 { CA:46.6 } atom: 1096 94F-HB2 B 2.82 ambi=2 { CB:38.9 } :: atom: 1090 93G-HA3 A 3.91 ambi=2 { CA:46.6 } atom: 1097 94F-HB3 B 3.1 ambi=2 { CB:38.9 } ::sumAvg: 4.93 atom: 1089 93G-HA2 A 3.84 ambi=2 { CA:46.6 } atom: 1098 94F-QD D 7.01 ambi=3 { CD1:131.1 } :: atom: 1090 93G-HA3 A 3.91 ambi=2 { CA:46.6 } atom: 1098 94F-QD D 7.01 ambi=3 { CD1:131.1 } ::sumAvg: 4.955 atom: 1089 93G-HA2 A 3.84 ambi=2 { CA:46.6 } atom: 1108 95H-H N 7.86 ambi=1 { N:116.4 } :: atom: 1090 93G-HA3 A 3.91 ambi=2 { CA:46.6 } atom: 1108 95H-H N 7.86 ambi=1 { N:116.4 } ::sumAvg: 4.535 atom: 1120 96E-QG G 2.31 ambi=2 { CG:36 } atom: 1094 94F-H N 7.37 ambi=1 { N:117.3 } ::sumAvg: 4.835 atom: 1095 94F-HA A 4.52 ambi=1 { CA:58.2 } atom: 1100 94F-QE E 7.1 ambi=3 { CE1:130.6 } ::sumAvg: 4.455 atom: 1096 94F-HB2 B 2.82 ambi=2 { CB:38.9 } atom: 1100 94F-QE E 7.1 ambi=3 { CE1:130.6 } :: atom: 1097 94F-HB3 B 3.1 ambi=2 { CB:38.9 } atom: 1100 94F-QE E 7.1 ambi=3 { CE1:130.6 } ::sumAvg: 4.39 atom: 1096 94F-HB2 B 2.82 ambi=2 { CB:38.9 } atom: 1111 95H-HB3 B 3.29 ambi=2 { CB:28.5 } ::sumAvg: 4.63 atom: 1111 95H-HB3 B 3.29 ambi=2 { CB:28.5 } atom: 1096 94F-HB2 B 2.82 ambi=2 { CB:38.9 } ::sumAvg: 4.63 atom: 1109 95H-HA A 4.58 ambi=1 { CA:55.8 } atom: 1098 94F-QD D 7.01 ambi=3 { CD1:131.1 } ::sumAvg: 4.915 atom: 1110 95H-HB2 B 3.21 ambi=2 { CB:28.5 } atom: 1098 94F-QD D 7.01 ambi=3 { CD1:131.1 } :: atom: 1111 95H-HB3 B 3.29 ambi=2 { CB:28.5 } atom: 1098 94F-QD D 7.01 ambi=3 { CD1:131.1 } ::sumAvg: 4.39 atom: 1118 96E-QB B 2.04 ambi=2 { CB:29.1 } atom: 1108 95H-H N 7.86 ambi=1 { N:116.4 } ::sumAvg: 4.8 atom: 1120 96E-QG G 2.31 ambi=2 { CG:36 } atom: 1108 95H-H N 7.86 ambi=1 { N:116.4 } ::sumAvg: 4.855 atom: 1109 95H-HA A 4.58 ambi=1 { CA:55.8 } atom: 1116 96E-H N 8.26 ambi=1 { N:118.6 } ::sumAvg: 2.875 atom: 1109 95H-HA A 4.58 ambi=1 { CA:55.8 } atom: 1117 96E-HA A 4.08 ambi=1 { CA:57.6 } ::sumAvg: 4.5 atom: 1117 96E-HA A 4.08 ambi=1 { CA:57.6 } atom: 1109 95H-HA A 4.58 ambi=1 { CA:55.8 } ::sumAvg: 4.5 atom: 1109 95H-HA A 4.58 ambi=1 { CA:55.8 } atom: 1118 96E-QB B 2.04 ambi=2 { CB:29.1 } ::sumAvg: 4.83 atom: 1118 96E-QB B 2.04 ambi=2 { CB:29.1 } atom: 1109 95H-HA A 4.58 ambi=1 { CA:55.8 } ::sumAvg: 4.83 atom: 1109 95H-HA A 4.58 ambi=1 { CA:55.8 } atom: 1120 96E-QG G 2.31 ambi=2 { CG:36 } ::sumAvg: 4.815 atom: 1120 96E-QG G 2.31 ambi=2 { CG:36 } atom: 1109 95H-HA A 4.58 ambi=1 { CA:55.8 } ::sumAvg: 4.815 atom: 1110 95H-HB2 B 3.21 ambi=2 { CB:28.5 } atom: 1118 96E-QB B 2.04 ambi=2 { CB:29.1 } :: atom: 1111 95H-HB3 B 3.29 ambi=2 { CB:28.5 } atom: 1118 96E-QB B 2.04 ambi=2 { CB:29.1 } ::sumAvg: 4.71 atom: 1118 96E-QB B 2.04 ambi=2 { CB:29.1 } atom: 1110 95H-HB2 B 3.21 ambi=2 { CB:28.5 } :: atom: 1118 96E-QB B 2.04 ambi=2 { CB:29.1 } atom: 1111 95H-HB3 B 3.29 ambi=2 { CB:28.5 } ::sumAvg: 4.71 atom: 1110 95H-HB2 B 3.21 ambi=2 { CB:28.5 } atom: 1120 96E-QG G 2.31 ambi=2 { CG:36 } :: atom: 1111 95H-HB3 B 3.29 ambi=2 { CB:28.5 } atom: 1120 96E-QG G 2.31 ambi=2 { CG:36 } ::sumAvg: 4.09 atom: 1120 96E-QG G 2.31 ambi=2 { CG:36 } atom: 1110 95H-HB2 B 3.21 ambi=2 { CB:28.5 } :: atom: 1120 96E-QG G 2.31 ambi=2 { CG:36 } atom: 1111 95H-HB3 B 3.29 ambi=2 { CB:28.5 } ::sumAvg: 4.09 atom: 1118 96E-QB B 2.04 ambi=2 { CB:29.1 } atom: 1116 96E-H N 8.26 ambi=1 { N:118.6 } ::sumAvg: 2.85 atom: 1120 96E-QG G 2.31 ambi=2 { CG:36 } atom: 1116 96E-H N 8.26 ambi=1 { N:118.6 } ::sumAvg: 3.25 atom: 1120 96E-QG G 2.31 ambi=2 { CG:36 } atom: 1117 96E-HA A 4.08 ambi=1 { CA:57.6 } ::sumAvg: 2.82 atom: 1117 96E-HA A 4.08 ambi=1 { CA:57.6 } atom: 1127 97L-H N 8.04 ambi=1 { N:119.5 } ::sumAvg: 2.825 atom: 1132 97L-HD1 D1 0.87 ambi=2 { CD1:25.1 } atom: 1117 96E-HA A 4.08 ambi=1 { CA:57.6 } :: atom: 1133 97L-HD2 D2 0.85 ambi=2 { CD2:24.2 } atom: 1117 96E-HA A 4.08 ambi=1 { CA:57.6 } ::sumAvg: 4.73 atom: 1118 96E-QB B 2.04 ambi=2 { CB:29.1 } atom: 1127 97L-H N 8.04 ambi=1 { N:119.5 } ::sumAvg: 3.055 atom: 1128 97L-HA A 4.24 ambi=1 { CA:56.3 } atom: 1118 96E-QB B 2.04 ambi=2 { CB:29.1 } ::sumAvg: 4.325 atom: 1118 96E-QB B 2.04 ambi=2 { CB:29.1 } atom: 1129 97L-HB2 B 1.62 ambi=2 { CB:41.1 } ::sumAvg: 4.775 atom: 1129 97L-HB2 B 1.62 ambi=2 { CB:41.1 } atom: 1118 96E-QB B 2.04 ambi=2 { CB:29.1 } ::sumAvg: 4.775 atom: 1118 96E-QB B 2.04 ambi=2 { CB:29.1 } atom: 1141 98S-H N 8.28 ambi=1 { N:113.7 } ::sumAvg: 4.68 atom: 1120 96E-QG G 2.31 ambi=2 { CG:36 } atom: 1127 97L-H N 8.04 ambi=1 { N:119.5 } ::sumAvg: 3.64 atom: 1128 97L-HA A 4.24 ambi=1 { CA:56.3 } atom: 1120 96E-QG G 2.31 ambi=2 { CG:36 } ::sumAvg: 4.895 atom: 1128 97L-HA A 4.24 ambi=1 { CA:56.3 } atom: 1144 98S-HB3 B 3.81 ambi=2 { CB:64 } ::sumAvg: 4.525 atom: 1144 98S-HB3 B 3.81 ambi=2 { CB:64 } atom: 1128 97L-HA A 4.24 ambi=1 { CA:56.3 } ::sumAvg: 4.525 atom: 1128 97L-HA A 4.24 ambi=1 { CA:56.3 } atom: 1149 99L-H N 7.54 ambi=1 { N:122.1 } ::sumAvg: 4.545 atom: 1129 97L-HB2 B 1.62 ambi=2 { CB:41.1 } atom: 1141 98S-H N 8.28 ambi=1 { N:113.7 } :: atom: 1130 97L-HB3 B 1.71 ambi=2 { CB:41.1 } atom: 1141 98S-H N 8.28 ambi=1 { N:113.7 } ::sumAvg: 3.615 atom: 1129 97L-HB2 B 1.62 ambi=2 { CB:41.1 } atom: 1149 99L-H N 7.54 ambi=1 { N:122.1 } :: atom: 1130 97L-HB3 B 1.71 ambi=2 { CB:41.1 } atom: 1149 99L-H N 7.54 ambi=1 { N:122.1 } ::sumAvg: 4.41 atom: 1129 97L-HB2 B 1.62 ambi=2 { CB:41.1 } atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } :: atom: 1129 97L-HB2 B 1.62 ambi=2 { CB:41.1 } atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } :: atom: 1130 97L-HB3 B 1.71 ambi=2 { CB:41.1 } atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } :: atom: 1130 97L-HB3 B 1.71 ambi=2 { CB:41.1 } atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } ::sumAvg: 4.305 atom: 1131 97L-HG G 1.54 ambi=1 { CG:27.1 } atom: 1141 98S-H N 8.28 ambi=1 { N:113.7 } ::sumAvg: 4.255 atom: 1131 97L-HG G 1.54 ambi=1 { CG:27.1 } atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } :: atom: 1131 97L-HG G 1.54 ambi=1 { CG:27.1 } atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } ::sumAvg: 4.94 atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } atom: 1131 97L-HG G 1.54 ambi=1 { CG:27.1 } :: atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } atom: 1131 97L-HG G 1.54 ambi=1 { CG:27.1 } ::sumAvg: 4.94 atom: 1142 98S-HA A 4.52 ambi=1 { CA:58.1 } atom: 1151 99L-HB2 B 1.61 ambi=2 { CB:44 } :: atom: 1142 98S-HA A 4.52 ambi=1 { CA:58.1 } atom: 1152 99L-HB3 B 1.34 ambi=2 { CB:44 } ::sumAvg: 4.585 atom: 1143 98S-HB2 B 3.93 ambi=2 { CB:64 } atom: 1149 99L-H N 7.54 ambi=1 { N:122.1 } :: atom: 1144 98S-HB3 B 3.81 ambi=2 { CB:64 } atom: 1149 99L-H N 7.54 ambi=1 { N:122.1 } ::sumAvg: 3.215 atom: 1150 99L-HA A 4.52 ambi=1 { CA:54.5 } atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } :: atom: 1150 99L-HA A 4.52 ambi=1 { CA:54.5 } atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } ::sumAvg: 4.73 atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } atom: 1150 99L-HA A 4.52 ambi=1 { CA:54.5 } :: atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } atom: 1150 99L-HA A 4.52 ambi=1 { CA:54.5 } ::sumAvg: 4.73 atom: 1150 99L-HA A 4.52 ambi=1 { CA:54.5 } atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } :: atom: 1150 99L-HA A 4.52 ambi=1 { CA:54.5 } atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } ::sumAvg: 4.875 atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } atom: 1150 99L-HA A 4.52 ambi=1 { CA:54.5 } :: atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } atom: 1150 99L-HA A 4.52 ambi=1 { CA:54.5 } ::sumAvg: 4.875 atom: 1150 99L-HA A 4.52 ambi=1 { CA:54.5 } atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } :: atom: 1150 99L-HA A 4.52 ambi=1 { CA:54.5 } atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } ::sumAvg: 4.685 atom: 1151 99L-HB2 B 1.61 ambi=2 { CB:44 } atom: 1163 100N-H N 8.27 ambi=1 { N:118.9 } :: atom: 1152 99L-HB3 B 1.34 ambi=2 { CB:44 } atom: 1163 100N-H N 8.27 ambi=1 { N:118.9 } ::sumAvg: 2.97 atom: 1151 99L-HB2 B 1.61 ambi=2 { CB:44 } atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } :: atom: 1152 99L-HB3 B 1.34 ambi=2 { CB:44 } atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } ::sumAvg: 4.76 atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } atom: 1151 99L-HB2 B 1.61 ambi=2 { CB:44 } :: atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } atom: 1152 99L-HB3 B 1.34 ambi=2 { CB:44 } ::sumAvg: 4.76 atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } atom: 1151 99L-HB2 B 1.61 ambi=2 { CB:44 } :: atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } atom: 1151 99L-HB2 B 1.61 ambi=2 { CB:44 } :: atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } atom: 1152 99L-HB3 B 1.34 ambi=2 { CB:44 } :: atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } atom: 1152 99L-HB3 B 1.34 ambi=2 { CB:44 } ::sumAvg: 3.36 atom: 1151 99L-HB2 B 1.61 ambi=2 { CB:44 } atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } :: atom: 1152 99L-HB3 B 1.34 ambi=2 { CB:44 } atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } ::sumAvg: 4.695 atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } atom: 1151 99L-HB2 B 1.61 ambi=2 { CB:44 } :: atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } atom: 1152 99L-HB3 B 1.34 ambi=2 { CB:44 } ::sumAvg: 4.695 atom: 1151 99L-HB2 B 1.61 ambi=2 { CB:44 } atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } :: atom: 1152 99L-HB3 B 1.34 ambi=2 { CB:44 } atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } ::sumAvg: 4.925 atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } atom: 1151 99L-HB2 B 1.61 ambi=2 { CB:44 } :: atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } atom: 1152 99L-HB3 B 1.34 ambi=2 { CB:44 } ::sumAvg: 4.925 atom: 1153 99L-HG G 1.47 ambi=1 { CG:26.5 } atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } :: atom: 1153 99L-HG G 1.47 ambi=1 { CG:26.5 } atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } ::sumAvg: 4.915 atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } atom: 1153 99L-HG G 1.47 ambi=1 { CG:26.5 } :: atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } atom: 1153 99L-HG G 1.47 ambi=1 { CG:26.5 } ::sumAvg: 4.915 atom: 1153 99L-HG G 1.47 ambi=1 { CG:26.5 } atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } :: atom: 1153 99L-HG G 1.47 ambi=1 { CG:26.5 } atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } ::sumAvg: 4.015 atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } atom: 1153 99L-HG G 1.47 ambi=1 { CG:26.5 } :: atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } atom: 1153 99L-HG G 1.47 ambi=1 { CG:26.5 } ::sumAvg: 4.015 atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } :: atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } :: atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } :: atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } ::sumAvg: 3.765 atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } :: atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } ::sumAvg: 4.445 atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } :: atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } ::sumAvg: 4.445 atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } atom: 1213 104V-H N 8.15 ambi=1 { N:119.2 } :: atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } atom: 1213 104V-H N 8.15 ambi=1 { N:119.2 } ::sumAvg: 4.725 atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } :: atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } ::sumAvg: 4.04 atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } atom: 1260 107L-HB2 B 1.84 ambi=2 { CB:42.2 } :: atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } :: atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } atom: 1260 107L-HB2 B 1.84 ambi=2 { CB:42.2 } :: atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } ::sumAvg: 4.57 atom: 1260 107L-HB2 B 1.84 ambi=2 { CB:42.2 } atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } :: atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } atom: 1154 99L-HD1 D1 0.77 ambi=2 { CD1:26.4 } :: atom: 1260 107L-HB2 B 1.84 ambi=2 { CB:42.2 } atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } :: atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } atom: 1155 99L-HD2 D2 0.71 ambi=2 { CD2:23.8 } ::sumAvg: 4.57 atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } atom: 1163 100N-H N 8.27 ambi=1 { N:118.9 } ::sumAvg: 2.885 atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } atom: 1163 100N-H N 8.27 ambi=1 { N:118.9 } :: atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } atom: 1163 100N-H N 8.27 ambi=1 { N:118.9 } ::sumAvg: 2.74 atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } atom: 1163 100N-H N 8.27 ambi=1 { N:118.9 } ::sumAvg: 3.96 atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } atom: 1167 100N-HD21 D2 7.6 ambi=2 { ND2:113 } :: atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } atom: 1168 100N-HD22 D2 6.91 ambi=2 { ND2:113 } ::sumAvg: 4.37 atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } atom: 1174 101E-H N 8.99 ambi=1 { N:121.8 } ::sumAvg: 2.335 atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } atom: 1175 101E-HA A 3.69 ambi=1 { CA:60.5 } ::sumAvg: 4.275 atom: 1175 101E-HA A 3.69 ambi=1 { CA:60.5 } atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } ::sumAvg: 4.275 atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } atom: 1176 101E-HB2 B 2.07 ambi=2 { CB:29.1 } :: atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } atom: 1177 101E-HB3 B 2.19 ambi=2 { CB:29.1 } ::sumAvg: 4.545 atom: 1176 101E-HB2 B 2.07 ambi=2 { CB:29.1 } atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } :: atom: 1177 101E-HB3 B 2.19 ambi=2 { CB:29.1 } atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } ::sumAvg: 4.545 atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } atom: 1178 101E-QG G 2.29 ambi=2 { CG:35.2 } ::sumAvg: 4.87 atom: 1178 101E-QG G 2.29 ambi=2 { CG:35.2 } atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } ::sumAvg: 4.87 atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } atom: 1185 102K-H N 8.16 ambi=1 { N:118.8 } ::sumAvg: 4.3 atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } atom: 1202 103E-H N 7.95 ambi=1 { N:120.1 } ::sumAvg: 4.67 atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } :: atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } ::sumAvg: 4.605 atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } :: atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } ::sumAvg: 4.605 atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } :: atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } ::sumAvg: 4.405 atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } :: atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } atom: 1164 100N-HA A 4.84 ambi=1 { CA:51.4 } ::sumAvg: 4.405 atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } atom: 1175 101E-HA A 3.69 ambi=1 { CA:60.5 } :: atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } atom: 1175 101E-HA A 3.69 ambi=1 { CA:60.5 } ::sumAvg: 4.815 atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } atom: 1176 101E-HB2 B 2.07 ambi=2 { CB:29.1 } :: atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } atom: 1177 101E-HB3 B 2.19 ambi=2 { CB:29.1 } :: atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } atom: 1176 101E-HB2 B 2.07 ambi=2 { CB:29.1 } :: atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } atom: 1177 101E-HB3 B 2.19 ambi=2 { CB:29.1 } ::sumAvg: 4.8 atom: 1176 101E-HB2 B 2.07 ambi=2 { CB:29.1 } atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } :: atom: 1177 101E-HB3 B 2.19 ambi=2 { CB:29.1 } atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } :: atom: 1176 101E-HB2 B 2.07 ambi=2 { CB:29.1 } atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } :: atom: 1177 101E-HB3 B 2.19 ambi=2 { CB:29.1 } atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } ::sumAvg: 4.8 atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } atom: 1185 102K-H N 8.16 ambi=1 { N:118.8 } :: atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } atom: 1185 102K-H N 8.16 ambi=1 { N:118.8 } ::sumAvg: 3.145 atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } atom: 1187 102K-HB2 B 1.84 ambi=2 { CB:32.2 } :: atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } atom: 1188 102K-HB3 B 1.92 ambi=2 { CB:32.2 } :: atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } atom: 1187 102K-HB2 B 1.84 ambi=2 { CB:32.2 } :: atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } atom: 1188 102K-HB3 B 1.92 ambi=2 { CB:32.2 } ::sumAvg: 4.08 atom: 1187 102K-HB2 B 1.84 ambi=2 { CB:32.2 } atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } :: atom: 1188 102K-HB3 B 1.92 ambi=2 { CB:32.2 } atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } :: atom: 1187 102K-HB2 B 1.84 ambi=2 { CB:32.2 } atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } :: atom: 1188 102K-HB3 B 1.92 ambi=2 { CB:32.2 } atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } ::sumAvg: 4.08 atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } atom: 1202 103E-H N 7.95 ambi=1 { N:120.1 } :: atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } atom: 1202 103E-H N 7.95 ambi=1 { N:120.1 } ::sumAvg: 3.48 atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } :: atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } :: atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } :: atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } ::sumAvg: 3.475 atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } :: atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } :: atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } :: atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } ::sumAvg: 3.475 atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } :: atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } ::sumAvg: 3.315 atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } :: atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } ::sumAvg: 3.315 atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } atom: 1213 104V-H N 8.15 ambi=1 { N:119.2 } :: atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } atom: 1213 104V-H N 8.15 ambi=1 { N:119.2 } ::sumAvg: 4.84 atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } :: atom: 1165 100N-HB2 B 3.01 ambi=2 { CB:40.3 } atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } :: atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } :: atom: 1166 100N-HB3 B 2.88 ambi=2 { CB:40.3 } atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } ::sumAvg: 4.755 atom: 1187 102K-HB2 B 1.84 ambi=2 { CB:32.2 } atom: 1167 100N-HD21 D2 7.6 ambi=2 { ND2:113 } :: atom: 1188 102K-HB3 B 1.92 ambi=2 { CB:32.2 } atom: 1167 100N-HD21 D2 7.6 ambi=2 { ND2:113 } :: atom: 1187 102K-HB2 B 1.84 ambi=2 { CB:32.2 } atom: 1168 100N-HD22 D2 6.91 ambi=2 { ND2:113 } :: atom: 1188 102K-HB3 B 1.92 ambi=2 { CB:32.2 } atom: 1168 100N-HD22 D2 6.91 ambi=2 { ND2:113 } ::sumAvg: 4.84 atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } atom: 1167 100N-HD21 D2 7.6 ambi=2 { ND2:113 } :: atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } atom: 1167 100N-HD21 D2 7.6 ambi=2 { ND2:113 } :: atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } atom: 1168 100N-HD22 D2 6.91 ambi=2 { ND2:113 } :: atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } atom: 1168 100N-HD22 D2 6.91 ambi=2 { ND2:113 } ::sumAvg: 4.41 atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } atom: 1167 100N-HD21 D2 7.6 ambi=2 { ND2:113 } :: atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } atom: 1168 100N-HD22 D2 6.91 ambi=2 { ND2:113 } ::sumAvg: 2.935 atom: 1187 102K-HB2 B 1.84 ambi=2 { CB:32.2 } atom: 1174 101E-H N 8.99 ambi=1 { N:121.8 } :: atom: 1188 102K-HB3 B 1.92 ambi=2 { CB:32.2 } atom: 1174 101E-H N 8.99 ambi=1 { N:121.8 } ::sumAvg: 4.81 atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } atom: 1174 101E-H N 8.99 ambi=1 { N:121.8 } :: atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } atom: 1174 101E-H N 8.99 ambi=1 { N:121.8 } ::sumAvg: 4.68 atom: 1175 101E-HA A 3.69 ambi=1 { CA:60.5 } atom: 1202 103E-H N 7.95 ambi=1 { N:120.1 } ::sumAvg: 4.37 atom: 1176 101E-HB2 B 2.07 ambi=2 { CB:29.1 } atom: 1186 102K-HA A 3.9 ambi=1 { CA:59.9 } :: atom: 1177 101E-HB3 B 2.19 ambi=2 { CB:29.1 } atom: 1186 102K-HA A 3.9 ambi=1 { CA:59.9 } ::sumAvg: 4.225 atom: 1176 101E-HB2 B 2.07 ambi=2 { CB:29.1 } atom: 1189 102K-HG2 G 1.41 ambi=2 { CG:25.4 } :: atom: 1176 101E-HB2 B 2.07 ambi=2 { CB:29.1 } atom: 1190 102K-HG3 G 1.56 ambi=2 { CG:25.4 } :: atom: 1177 101E-HB3 B 2.19 ambi=2 { CB:29.1 } atom: 1189 102K-HG2 G 1.41 ambi=2 { CG:25.4 } :: atom: 1177 101E-HB3 B 2.19 ambi=2 { CB:29.1 } atom: 1190 102K-HG3 G 1.56 ambi=2 { CG:25.4 } ::sumAvg: 4.61 atom: 1177 101E-HB3 B 2.19 ambi=2 { CB:29.1 } atom: 1230 105K-QD D 1.69 ambi=2 { CD:29.8 } ::sumAvg: 4.705 atom: 1230 105K-QD D 1.69 ambi=2 { CD:29.8 } atom: 1177 101E-HB3 B 2.19 ambi=2 { CB:29.1 } ::sumAvg: 4.705 atom: 1178 101E-QG G 2.29 ambi=2 { CG:35.2 } atom: 1186 102K-HA A 3.9 ambi=1 { CA:59.9 } ::sumAvg: 4.625 atom: 1186 102K-HA A 3.9 ambi=1 { CA:59.9 } atom: 1178 101E-QG G 2.29 ambi=2 { CG:35.2 } ::sumAvg: 4.625 atom: 1178 101E-QG G 2.29 ambi=2 { CG:35.2 } atom: 1189 102K-HG2 G 1.41 ambi=2 { CG:25.4 } :: atom: 1178 101E-QG G 2.29 ambi=2 { CG:35.2 } atom: 1190 102K-HG3 G 1.56 ambi=2 { CG:25.4 } ::sumAvg: 4.885 atom: 1189 102K-HG2 G 1.41 ambi=2 { CG:25.4 } atom: 1178 101E-QG G 2.29 ambi=2 { CG:35.2 } :: atom: 1190 102K-HG3 G 1.56 ambi=2 { CG:25.4 } atom: 1178 101E-QG G 2.29 ambi=2 { CG:35.2 } ::sumAvg: 4.885 atom: 1226 105K-QB B 1.88 ambi=2 { CB:32.3 } atom: 1178 101E-QG G 2.29 ambi=2 { CG:35.2 } ::sumAvg: 4.65 atom: 1230 105K-QD D 1.69 ambi=2 { CD:29.8 } atom: 1178 101E-QG G 2.29 ambi=2 { CG:35.2 } ::sumAvg: 4.38 atom: 1191 102K-HD2 D 1.61 ambi=2 { CD:29.4 } atom: 1186 102K-HA A 3.9 ambi=1 { CA:59.9 } :: atom: 1192 102K-HD3 D 1.7 ambi=2 { CD:29.4 } atom: 1186 102K-HA A 3.9 ambi=1 { CA:59.9 } ::sumAvg: 4.28 atom: 1186 102K-HA A 3.9 ambi=1 { CA:59.9 } atom: 1193 102K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.6 atom: 1193 102K-QE E 2.93 ambi=2 { CE:41.8 } atom: 1186 102K-HA A 3.9 ambi=1 { CA:59.9 } ::sumAvg: 4.6 atom: 1186 102K-HA A 3.9 ambi=1 { CA:59.9 } atom: 1202 103E-H N 7.95 ambi=1 { N:120.1 } ::sumAvg: 3.505 atom: 1186 102K-HA A 3.9 ambi=1 { CA:59.9 } atom: 1224 105K-H N 8.33 ambi=1 { N:116.9 } ::sumAvg: 3.49 atom: 1228 105K-HG2 G 1.31 ambi=2 { CG:28 } atom: 1186 102K-HA A 3.9 ambi=1 { CA:59.9 } :: atom: 1229 105K-HG3 G 1.69 ambi=2 { CG:28 } atom: 1186 102K-HA A 3.9 ambi=1 { CA:59.9 } ::sumAvg: 4.07 atom: 1230 105K-QD D 1.69 ambi=2 { CD:29.8 } atom: 1186 102K-HA A 3.9 ambi=1 { CA:59.9 } ::sumAvg: 3.005 atom: 1186 102K-HA A 3.9 ambi=1 { CA:59.9 } atom: 1241 106K-H N 7.41 ambi=1 { N:118.8 } ::sumAvg: 4.34 atom: 1187 102K-HB2 B 1.84 ambi=2 { CB:32.2 } atom: 1193 102K-QE E 2.93 ambi=2 { CE:41.8 } :: atom: 1188 102K-HB3 B 1.92 ambi=2 { CB:32.2 } atom: 1193 102K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 3.965 atom: 1193 102K-QE E 2.93 ambi=2 { CE:41.8 } atom: 1187 102K-HB2 B 1.84 ambi=2 { CB:32.2 } :: atom: 1193 102K-QE E 2.93 ambi=2 { CE:41.8 } atom: 1188 102K-HB3 B 1.92 ambi=2 { CB:32.2 } ::sumAvg: 3.965 atom: 1187 102K-HB2 B 1.84 ambi=2 { CB:32.2 } atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } :: atom: 1188 102K-HB3 B 1.92 ambi=2 { CB:32.2 } atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } ::sumAvg: 3.445 atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } atom: 1187 102K-HB2 B 1.84 ambi=2 { CB:32.2 } :: atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } atom: 1188 102K-HB3 B 1.92 ambi=2 { CB:32.2 } ::sumAvg: 3.445 atom: 1189 102K-HG2 G 1.41 ambi=2 { CG:25.4 } atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } :: atom: 1190 102K-HG3 G 1.56 ambi=2 { CG:25.4 } atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } ::sumAvg: 4.835 atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } atom: 1189 102K-HG2 G 1.41 ambi=2 { CG:25.4 } :: atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } atom: 1190 102K-HG3 G 1.56 ambi=2 { CG:25.4 } ::sumAvg: 4.835 atom: 1191 102K-HD2 D 1.61 ambi=2 { CD:29.4 } atom: 1202 103E-H N 7.95 ambi=1 { N:120.1 } :: atom: 1192 102K-HD3 D 1.7 ambi=2 { CD:29.4 } atom: 1202 103E-H N 7.95 ambi=1 { N:120.1 } ::sumAvg: 4.95 atom: 1191 102K-HD2 D 1.61 ambi=2 { CD:29.4 } atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } :: atom: 1192 102K-HD3 D 1.7 ambi=2 { CD:29.4 } atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } ::sumAvg: 4.76 atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } atom: 1191 102K-HD2 D 1.61 ambi=2 { CD:29.4 } :: atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } atom: 1192 102K-HD3 D 1.7 ambi=2 { CD:29.4 } ::sumAvg: 4.76 atom: 1203 103E-HA A 4.12 ambi=1 { CA:58.6 } atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } ::sumAvg: 4.75 atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } atom: 1203 103E-HA A 4.12 ambi=1 { CA:58.6 } ::sumAvg: 4.75 atom: 1203 103E-HA A 4.12 ambi=1 { CA:58.6 } atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } :: atom: 1203 103E-HA A 4.12 ambi=1 { CA:58.6 } atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } ::sumAvg: 4.955 atom: 1203 103E-HA A 4.12 ambi=1 { CA:58.6 } atom: 1224 105K-H N 8.33 ambi=1 { N:116.9 } ::sumAvg: 4.43 atom: 1203 103E-HA A 4.12 ambi=1 { CA:58.6 } atom: 1247 106K-QD D 1.64 ambi=2 { CD:28.8 } ::sumAvg: 3.645 atom: 1203 103E-HA A 4.12 ambi=1 { CA:58.6 } atom: 1249 106K-QE E 2.98 ambi=2 { CE:42.1 } ::sumAvg: 3.885 atom: 1249 106K-QE E 2.98 ambi=2 { CE:42.1 } atom: 1203 103E-HA A 4.12 ambi=1 { CA:58.6 } ::sumAvg: 3.885 atom: 1204 103E-HB2 B 2.02 ambi=2 { CB:29.4 } atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } :: atom: 1205 103E-HB3 B 2.19 ambi=2 { CB:29.4 } atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } ::sumAvg: 4.36 atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } :: atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } ::sumAvg: 4.9 atom: 1243 106K-QB B 1.95 ambi=2 { CB:32.7 } atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } ::sumAvg: 4.725 atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } atom: 1247 106K-QD D 1.64 ambi=2 { CD:28.8 } ::sumAvg: 4.65 atom: 1247 106K-QD D 1.64 ambi=2 { CD:28.8 } atom: 1206 103E-QG G 2.41 ambi=2 { CG:34.8 } ::sumAvg: 4.65 atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } atom: 1241 106K-H N 7.41 ambi=1 { N:118.8 } ::sumAvg: 4.075 atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } atom: 1243 106K-QB B 1.95 ambi=2 { CB:32.7 } ::sumAvg: 4.83 atom: 1243 106K-QB B 1.95 ambi=2 { CB:32.7 } atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } ::sumAvg: 4.83 atom: 1260 107L-HB2 B 1.84 ambi=2 { CB:42.2 } atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } :: atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } ::sumAvg: 2.69 atom: 1214 104V-HA A 3.42 ambi=1 { CA:67.2 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } ::sumAvg: 4.15 atom: 1215 104V-HB B 2.05 ambi=1 { CB:31.6 } atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } ::sumAvg: 4.88 atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } atom: 1215 104V-HB B 2.05 ambi=1 { CB:31.6 } ::sumAvg: 4.88 atom: 1226 105K-QB B 1.88 ambi=2 { CB:32.3 } atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } :: atom: 1226 105K-QB B 1.88 ambi=2 { CB:32.3 } atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } ::sumAvg: 4.065 atom: 1229 105K-HG3 G 1.69 ambi=2 { CG:28 } atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } :: atom: 1229 105K-HG3 G 1.69 ambi=2 { CG:28 } atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } ::sumAvg: 4.15 atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } atom: 1241 106K-H N 7.41 ambi=1 { N:118.8 } :: atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } atom: 1241 106K-H N 7.41 ambi=1 { N:118.8 } ::sumAvg: 4.75 atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } :: atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } ::sumAvg: 4.17 atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } :: atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } ::sumAvg: 3.735 atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 1216 104V-HG1 G1 0.92 ambi=2 { CG1:21.2 } :: atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 1217 104V-HG2 G2 0.93 ambi=2 { CG2:24.2 } ::sumAvg: 3.735 atom: 1232 105K-HE2 E 2.89 ambi=2 { CE:42.1 } atom: 1225 105K-HA A 3.74 ambi=1 { CA:60.3 } :: atom: 1233 105K-HE3 E 2.96 ambi=2 { CE:42.1 } atom: 1225 105K-HA A 3.74 ambi=1 { CA:60.3 } ::sumAvg: 4.975 atom: 1225 105K-HA A 3.74 ambi=1 { CA:60.3 } atom: 1241 106K-H N 7.41 ambi=1 { N:118.8 } ::sumAvg: 3.44 atom: 1225 105K-HA A 3.74 ambi=1 { CA:60.3 } atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } :: atom: 1225 105K-HA A 3.74 ambi=1 { CA:60.3 } atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } ::sumAvg: 3.235 atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 1225 105K-HA A 3.74 ambi=1 { CA:60.3 } :: atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } atom: 1225 105K-HA A 3.74 ambi=1 { CA:60.3 } ::sumAvg: 3.235 atom: 1280 108K-QE E 2.93 ambi=2 { CE:41.8 } atom: 1225 105K-HA A 3.74 ambi=1 { CA:60.3 } ::sumAvg: 3.96 atom: 1225 105K-HA A 3.74 ambi=1 { CA:60.3 } atom: 1289 109E-H N 7.31 ambi=1 { N:123 } ::sumAvg: 4.685 atom: 1226 105K-QB B 1.88 ambi=2 { CB:32.3 } atom: 1232 105K-HE2 E 2.89 ambi=2 { CE:42.1 } :: atom: 1226 105K-QB B 1.88 ambi=2 { CB:32.3 } atom: 1233 105K-HE3 E 2.96 ambi=2 { CE:42.1 } ::sumAvg: 3.93 atom: 1232 105K-HE2 E 2.89 ambi=2 { CE:42.1 } atom: 1226 105K-QB B 1.88 ambi=2 { CB:32.3 } :: atom: 1233 105K-HE3 E 2.96 ambi=2 { CE:42.1 } atom: 1226 105K-QB B 1.88 ambi=2 { CB:32.3 } ::sumAvg: 3.93 atom: 1246 106K-HG3 G 1.37 ambi=2 { CG:24.7 } atom: 1226 105K-QB B 1.88 ambi=2 { CB:32.3 } ::sumAvg: 4.75 atom: 1226 105K-QB B 1.88 ambi=2 { CB:32.3 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } ::sumAvg: 4.895 atom: 1226 105K-QB B 1.88 ambi=2 { CB:32.3 } atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } :: atom: 1226 105K-QB B 1.88 ambi=2 { CB:32.3 } atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } ::sumAvg: 4.7 atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 1226 105K-QB B 1.88 ambi=2 { CB:32.3 } :: atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } atom: 1226 105K-QB B 1.88 ambi=2 { CB:32.3 } ::sumAvg: 4.7 atom: 1226 105K-QB B 1.88 ambi=2 { CB:32.3 } atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } ::sumAvg: 4.765 atom: 1226 105K-QB B 1.88 ambi=2 { CB:32.3 } atom: 1280 108K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.5 atom: 1280 108K-QE E 2.93 ambi=2 { CE:41.8 } atom: 1226 105K-QB B 1.88 ambi=2 { CB:32.3 } ::sumAvg: 4.5 atom: 1228 105K-HG2 G 1.31 ambi=2 { CG:28 } atom: 1241 106K-H N 7.41 ambi=1 { N:118.8 } :: atom: 1229 105K-HG3 G 1.69 ambi=2 { CG:28 } atom: 1241 106K-H N 7.41 ambi=1 { N:118.8 } ::sumAvg: 4.285 atom: 1247 106K-QD D 1.64 ambi=2 { CD:28.8 } atom: 1241 106K-H N 7.41 ambi=1 { N:118.8 } ::sumAvg: 4.12 atom: 1249 106K-QE E 2.98 ambi=2 { CE:42.1 } atom: 1241 106K-H N 7.41 ambi=1 { N:118.8 } ::sumAvg: 4.775 atom: 1260 107L-HB2 B 1.84 ambi=2 { CB:42.2 } atom: 1241 106K-H N 7.41 ambi=1 { N:118.8 } :: atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } atom: 1241 106K-H N 7.41 ambi=1 { N:118.8 } ::sumAvg: 4.485 atom: 1247 106K-QD D 1.64 ambi=2 { CD:28.8 } atom: 1242 106K-HA A 4.08 ambi=1 { CA:59.1 } ::sumAvg: 2.965 atom: 1242 106K-HA A 4.08 ambi=1 { CA:59.1 } atom: 1249 106K-QE E 2.98 ambi=2 { CE:42.1 } ::sumAvg: 4.29 atom: 1249 106K-QE E 2.98 ambi=2 { CE:42.1 } atom: 1242 106K-HA A 4.08 ambi=1 { CA:59.1 } ::sumAvg: 4.29 atom: 1242 106K-HA A 4.08 ambi=1 { CA:59.1 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } ::sumAvg: 4.325 atom: 1242 106K-HA A 4.08 ambi=1 { CA:59.1 } atom: 1289 109E-H N 7.31 ambi=1 { N:123 } ::sumAvg: 3.72 atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } atom: 1242 106K-HA A 4.08 ambi=1 { CA:59.1 } ::sumAvg: 3.44 atom: 1242 106K-HA A 4.08 ambi=1 { CA:59.1 } atom: 1293 109E-HG2 G 2.52 ambi=2 { CG:35.5 } :: atom: 1242 106K-HA A 4.08 ambi=1 { CA:59.1 } atom: 1294 109E-HG3 G 2.42 ambi=2 { CG:35.5 } ::sumAvg: 4.335 atom: 1293 109E-HG2 G 2.52 ambi=2 { CG:35.5 } atom: 1242 106K-HA A 4.08 ambi=1 { CA:59.1 } :: atom: 1294 109E-HG3 G 2.42 ambi=2 { CG:35.5 } atom: 1242 106K-HA A 4.08 ambi=1 { CA:59.1 } ::sumAvg: 4.335 atom: 1243 106K-QB B 1.95 ambi=2 { CB:32.7 } atom: 1249 106K-QE E 2.98 ambi=2 { CE:42.1 } ::sumAvg: 2.87 atom: 1249 106K-QE E 2.98 ambi=2 { CE:42.1 } atom: 1243 106K-QB B 1.95 ambi=2 { CB:32.7 } ::sumAvg: 2.87 atom: 1243 106K-QB B 1.95 ambi=2 { CB:32.7 } atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } ::sumAvg: 4.175 atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } atom: 1243 106K-QB B 1.95 ambi=2 { CB:32.7 } ::sumAvg: 4.175 atom: 1243 106K-QB B 1.95 ambi=2 { CB:32.7 } atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } :: atom: 1243 106K-QB B 1.95 ambi=2 { CB:32.7 } atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } ::sumAvg: 3.885 atom: 1243 106K-QB B 1.95 ambi=2 { CB:32.7 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } ::sumAvg: 4.645 atom: 1243 106K-QB B 1.95 ambi=2 { CB:32.7 } atom: 1289 109E-H N 7.31 ambi=1 { N:123 } ::sumAvg: 4.995 atom: 1245 106K-HG2 G 1.53 ambi=2 { CG:24.7 } atom: 1258 107L-H N 8.12 ambi=1 { N:119.5 } :: atom: 1246 106K-HG3 G 1.37 ambi=2 { CG:24.7 } atom: 1258 107L-H N 8.12 ambi=1 { N:119.5 } ::sumAvg: 3.985 atom: 1245 106K-HG2 G 1.53 ambi=2 { CG:24.7 } atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } :: atom: 1246 106K-HG3 G 1.37 ambi=2 { CG:24.7 } atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } ::sumAvg: 4.94 atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } atom: 1245 106K-HG2 G 1.53 ambi=2 { CG:24.7 } :: atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } atom: 1246 106K-HG3 G 1.37 ambi=2 { CG:24.7 } ::sumAvg: 4.94 atom: 1247 106K-QD D 1.64 ambi=2 { CD:28.8 } atom: 1249 106K-QE E 2.98 ambi=2 { CE:42.1 } ::sumAvg: 2.09 atom: 1249 106K-QE E 2.98 ambi=2 { CE:42.1 } atom: 1247 106K-QD D 1.64 ambi=2 { CD:28.8 } ::sumAvg: 2.09 atom: 1247 106K-QD D 1.64 ambi=2 { CD:28.8 } atom: 1258 107L-H N 8.12 ambi=1 { N:119.5 } ::sumAvg: 4.76 atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } atom: 1247 106K-QD D 1.64 ambi=2 { CD:28.8 } :: atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } atom: 1247 106K-QD D 1.64 ambi=2 { CD:28.8 } ::sumAvg: 4.965 atom: 1262 107L-HG G 1.77 ambi=1 { CG:27.1 } atom: 1258 107L-H N 8.12 ambi=1 { N:119.5 } ::sumAvg: 3.39 atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 1258 107L-H N 8.12 ambi=1 { N:119.5 } :: atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } atom: 1258 107L-H N 8.12 ambi=1 { N:119.5 } ::sumAvg: 4.88 atom: 1259 107L-HA A 4.11 ambi=1 { CA:57.7 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } ::sumAvg: 3.5 atom: 1259 107L-HA A 4.11 ambi=1 { CA:57.7 } atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } ::sumAvg: 4.785 atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } atom: 1259 107L-HA A 4.11 ambi=1 { CA:57.7 } ::sumAvg: 4.785 atom: 1259 107L-HA A 4.11 ambi=1 { CA:57.7 } atom: 1289 109E-H N 7.31 ambi=1 { N:123 } ::sumAvg: 4.03 atom: 1259 107L-HA A 4.11 ambi=1 { CA:57.7 } atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } ::sumAvg: 4.73 atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } atom: 1259 107L-HA A 4.11 ambi=1 { CA:57.7 } ::sumAvg: 4.73 atom: 1259 107L-HA A 4.11 ambi=1 { CA:57.7 } atom: 1300 110D-H N 7.27 ambi=1 { N:121.1 } ::sumAvg: 3.38 atom: 1259 107L-HA A 4.11 ambi=1 { CA:57.7 } atom: 1308 111V-H N 7.04 ambi=1 { N:119 } ::sumAvg: 4.65 atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } atom: 1262 107L-HG G 1.77 ambi=1 { CG:27.1 } ::sumAvg: 2.465 atom: 1262 107L-HG G 1.77 ambi=1 { CG:27.1 } atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } ::sumAvg: 2.465 atom: 1260 107L-HB2 B 1.84 ambi=2 { CB:42.2 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } :: atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } ::sumAvg: 2.845 atom: 1260 107L-HB2 B 1.84 ambi=2 { CB:42.2 } atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } :: atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } ::sumAvg: 4.315 atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 1260 107L-HB2 B 1.84 ambi=2 { CB:42.2 } :: atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } atom: 1260 107L-HB2 B 1.84 ambi=2 { CB:42.2 } :: atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } ::sumAvg: 4.595 atom: 1260 107L-HB2 B 1.84 ambi=2 { CB:42.2 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } :: atom: 1260 107L-HB2 B 1.84 ambi=2 { CB:42.2 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } :: atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } :: atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } ::sumAvg: 4.71 atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } atom: 1260 107L-HB2 B 1.84 ambi=2 { CB:42.2 } :: atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } atom: 1260 107L-HB2 B 1.84 ambi=2 { CB:42.2 } :: atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } :: atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } atom: 1261 107L-HB3 B 1.28 ambi=2 { CB:42.2 } ::sumAvg: 4.71 atom: 1262 107L-HG G 1.77 ambi=1 { CG:27.1 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } ::sumAvg: 4.375 atom: 1262 107L-HG G 1.77 ambi=1 { CG:27.1 } atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } ::sumAvg: 4.96 atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } atom: 1262 107L-HG G 1.77 ambi=1 { CG:27.1 } ::sumAvg: 4.96 atom: 1262 107L-HG G 1.77 ambi=1 { CG:27.1 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } :: atom: 1262 107L-HG G 1.77 ambi=1 { CG:27.1 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } ::sumAvg: 4.91 atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } atom: 1262 107L-HG G 1.77 ambi=1 { CG:27.1 } :: atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } atom: 1262 107L-HG G 1.77 ambi=1 { CG:27.1 } ::sumAvg: 4.91 atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } :: atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } ::sumAvg: 4.44 atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } atom: 1300 110D-H N 7.27 ambi=1 { N:121.1 } :: atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } atom: 1300 110D-H N 7.27 ambi=1 { N:121.1 } ::sumAvg: 4.29 atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } :: atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } :: atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } :: atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } ::sumAvg: 3.05 atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } atom: 1308 111V-H N 7.04 ambi=1 { N:119 } :: atom: 1264 107L-HD2 D2 1.01 ambi=2 { CD2:22.5 } atom: 1308 111V-H N 7.04 ambi=1 { N:119 } ::sumAvg: 4.49 atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } atom: 1312 111V-HG2 G2 1.37 ambi=2 { CG2:22.5 } ::sumAvg: 3.56 atom: 1312 111V-HG2 G2 1.37 ambi=2 { CG2:22.5 } atom: 1263 107L-HD1 D1 0.84 ambi=2 { CD1:26.4 } ::sumAvg: 3.56 atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } :: atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } ::sumAvg: 2.42 atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } ::sumAvg: 3.11 atom: 1278 108K-HD2 D 1.84 ambi=2 { CD:28.8 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } :: atom: 1279 108K-HD3 D 1.28 ambi=2 { CD:28.8 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } ::sumAvg: 4.405 atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } atom: 1272 108K-H N 9 ambi=1 { N:117.3 } ::sumAvg: 4.71 atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } ::sumAvg: 2.85 atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } ::sumAvg: 2.85 atom: 1278 108K-HD2 D 1.84 ambi=2 { CD:28.8 } atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } :: atom: 1279 108K-HD3 D 1.28 ambi=2 { CD:28.8 } atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } ::sumAvg: 4.265 atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } atom: 1289 109E-H N 7.31 ambi=1 { N:123 } ::sumAvg: 3.49 atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } ::sumAvg: 4.685 atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } ::sumAvg: 4.685 atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } atom: 1300 110D-H N 7.27 ambi=1 { N:121.1 } ::sumAvg: 4.15 atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } atom: 1308 111V-H N 7.04 ambi=1 { N:119 } ::sumAvg: 3.73 atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } atom: 1311 111V-HG1 G1 0.93 ambi=2 { CG1:23 } :: atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } atom: 1312 111V-HG2 G2 1.37 ambi=2 { CG2:22.5 } ::sumAvg: 3.865 atom: 1273 108K-HA A 3.6 ambi=1 { CA:58.2 } atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } ::sumAvg: 4.12 atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } ::sumAvg: 2.25 atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } ::sumAvg: 2.25 atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 1278 108K-HD2 D 1.84 ambi=2 { CD:28.8 } :: atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 1279 108K-HD3 D 1.28 ambi=2 { CD:28.8 } :: atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } atom: 1278 108K-HD2 D 1.84 ambi=2 { CD:28.8 } ::sumAvg: 2.465 atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 1280 108K-QE E 2.93 ambi=2 { CE:41.8 } :: atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } atom: 1280 108K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 2.935 atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 1289 109E-H N 7.31 ambi=1 { N:123 } :: atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } atom: 1289 109E-H N 7.31 ambi=1 { N:123 } ::sumAvg: 3.27 atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } :: atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } ::sumAvg: 4.515 atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } :: atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } ::sumAvg: 4.515 atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } :: atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } ::sumAvg: 4.895 atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } :: atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } ::sumAvg: 4.895 atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 1293 109E-HG2 G 2.52 ambi=2 { CG:35.5 } :: atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 1294 109E-HG3 G 2.42 ambi=2 { CG:35.5 } :: atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } atom: 1293 109E-HG2 G 2.52 ambi=2 { CG:35.5 } :: atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } atom: 1294 109E-HG3 G 2.42 ambi=2 { CG:35.5 } ::sumAvg: 4.655 atom: 1293 109E-HG2 G 2.52 ambi=2 { CG:35.5 } atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } :: atom: 1294 109E-HG3 G 2.42 ambi=2 { CG:35.5 } atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } :: atom: 1293 109E-HG2 G 2.52 ambi=2 { CG:35.5 } atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } :: atom: 1294 109E-HG3 G 2.42 ambi=2 { CG:35.5 } atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } ::sumAvg: 4.655 atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } :: atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } ::sumAvg: 4.865 atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } atom: 1274 108K-HB2 B 0.45 ambi=2 { CB:27.8 } :: atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } atom: 1275 108K-HB3 B 1.01 ambi=2 { CB:27.8 } ::sumAvg: 4.865 atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } atom: 1280 108K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 2.2 atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } atom: 1289 109E-H N 7.31 ambi=1 { N:123 } ::sumAvg: 3.26 atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } ::sumAvg: 3.765 atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } ::sumAvg: 4.54 atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } atom: 1293 109E-HG2 G 2.52 ambi=2 { CG:35.5 } :: atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } atom: 1294 109E-HG3 G 2.42 ambi=2 { CG:35.5 } ::sumAvg: 3.985 atom: 1293 109E-HG2 G 2.52 ambi=2 { CG:35.5 } atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } :: atom: 1294 109E-HG3 G 2.42 ambi=2 { CG:35.5 } atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } ::sumAvg: 3.985 atom: 1276 108K-QG G 0.92 ambi=2 { CG:24.6 } atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } ::sumAvg: 4.805 atom: 1278 108K-HD2 D 1.84 ambi=2 { CD:28.8 } atom: 1280 108K-QE E 2.93 ambi=2 { CE:41.8 } :: atom: 1279 108K-HD3 D 1.28 ambi=2 { CD:28.8 } atom: 1280 108K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 2.255 atom: 1278 108K-HD2 D 1.84 ambi=2 { CD:28.8 } atom: 1289 109E-H N 7.31 ambi=1 { N:123 } :: atom: 1279 108K-HD3 D 1.28 ambi=2 { CD:28.8 } atom: 1289 109E-H N 7.31 ambi=1 { N:123 } ::sumAvg: 4.25 atom: 1278 108K-HD2 D 1.84 ambi=2 { CD:28.8 } atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } :: atom: 1279 108K-HD3 D 1.28 ambi=2 { CD:28.8 } atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } ::sumAvg: 4.305 atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } atom: 1278 108K-HD2 D 1.84 ambi=2 { CD:28.8 } :: atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } atom: 1279 108K-HD3 D 1.28 ambi=2 { CD:28.8 } ::sumAvg: 4.305 atom: 1280 108K-QE E 2.93 ambi=2 { CE:41.8 } atom: 1289 109E-H N 7.31 ambi=1 { N:123 } ::sumAvg: 4.785 atom: 1280 108K-QE E 2.93 ambi=2 { CE:41.8 } atom: 1293 109E-HG2 G 2.52 ambi=2 { CG:35.5 } :: atom: 1280 108K-QE E 2.93 ambi=2 { CE:41.8 } atom: 1294 109E-HG3 G 2.42 ambi=2 { CG:35.5 } ::sumAvg: 4.935 atom: 1293 109E-HG2 G 2.52 ambi=2 { CG:35.5 } atom: 1280 108K-QE E 2.93 ambi=2 { CE:41.8 } :: atom: 1294 109E-HG3 G 2.42 ambi=2 { CG:35.5 } atom: 1280 108K-QE E 2.93 ambi=2 { CE:41.8 } ::sumAvg: 4.935 atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } :: atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } atom: 1324 112R-HG3 G 1.03 ambi=2 { CG:26.8 } ::sumAvg: 4.87 atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } :: atom: 1324 112R-HG3 G 1.03 ambi=2 { CG:26.8 } atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } ::sumAvg: 4.87 atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } atom: 1325 112R-HD2 D 3.02 ambi=2 { CD:42.6 } :: atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } atom: 1326 112R-HD3 D 3.21 ambi=2 { CD:42.6 } ::sumAvg: 4.665 atom: 1325 112R-HD2 D 3.02 ambi=2 { CD:42.6 } atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } :: atom: 1326 112R-HD3 D 3.21 ambi=2 { CD:42.6 } atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } ::sumAvg: 4.665 atom: 1290 109E-HA A 4.4 ambi=1 { CA:58.1 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } ::sumAvg: 4.62 atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } atom: 1301 110D-HA A 4.55 ambi=1 { CA:57 } ::sumAvg: 3.975 atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } :: atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } ::sumAvg: 4.95 atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } :: atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } ::sumAvg: 4.95 atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } atom: 1338 113K-HG3 G 1.3 ambi=2 { CG:26.1 } ::sumAvg: 4.74 atom: 1338 113K-HG3 G 1.3 ambi=2 { CG:26.1 } atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } ::sumAvg: 4.74 atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } ::sumAvg: 4.7 atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } atom: 1291 109E-QB B 2.13 ambi=2 { CB:28.6 } ::sumAvg: 4.7 atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } atom: 1300 110D-H N 7.27 ambi=1 { N:121.1 } ::sumAvg: 4.76 atom: 1311 111V-HG1 G1 0.93 ambi=2 { CG1:23 } atom: 1300 110D-H N 7.27 ambi=1 { N:121.1 } :: atom: 1312 111V-HG2 G2 1.37 ambi=2 { CG2:22.5 } atom: 1300 110D-H N 7.27 ambi=1 { N:121.1 } ::sumAvg: 4.28 atom: 1301 110D-HA A 4.55 ambi=1 { CA:57 } atom: 1308 111V-H N 7.04 ambi=1 { N:119 } ::sumAvg: 3.53 atom: 1301 110D-HA A 4.55 ambi=1 { CA:57 } atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } ::sumAvg: 4.725 atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } atom: 1301 110D-HA A 4.55 ambi=1 { CA:57 } ::sumAvg: 4.725 atom: 1301 110D-HA A 4.55 ambi=1 { CA:57 } atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } ::sumAvg: 4.305 atom: 1337 113K-HG2 G 1.74 ambi=2 { CG:26.1 } atom: 1301 110D-HA A 4.55 ambi=1 { CA:57 } :: atom: 1338 113K-HG3 G 1.3 ambi=2 { CG:26.1 } atom: 1301 110D-HA A 4.55 ambi=1 { CA:57 } ::sumAvg: 3.68 atom: 1339 113K-HD2 D 1.7 ambi=2 { CD:29.8 } atom: 1301 110D-HA A 4.55 ambi=1 { CA:57 } :: atom: 1340 113K-HD3 D 1.73 ambi=2 { CD:29.8 } atom: 1301 110D-HA A 4.55 ambi=1 { CA:57 } ::sumAvg: 2.77 atom: 1301 110D-HA A 4.55 ambi=1 { CA:57 } atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } ::sumAvg: 4.105 atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } atom: 1301 110D-HA A 4.55 ambi=1 { CA:57 } ::sumAvg: 4.105 atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } atom: 1308 111V-H N 7.04 ambi=1 { N:119 } :: atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } atom: 1308 111V-H N 7.04 ambi=1 { N:119 } ::sumAvg: 2.59 atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } ::sumAvg: 4.24 atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } ::sumAvg: 4.24 atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } ::sumAvg: 4.77 atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } ::sumAvg: 4.77 atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } :: atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } ::sumAvg: 4.905 atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } atom: 1335 113K-HB2 B 2.02 ambi=2 { CB:33 } :: atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } :: atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } atom: 1335 113K-HB2 B 2.02 ambi=2 { CB:33 } :: atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } ::sumAvg: 4.66 atom: 1335 113K-HB2 B 2.02 ambi=2 { CB:33 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } :: atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } :: atom: 1335 113K-HB2 B 2.02 ambi=2 { CB:33 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } :: atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } ::sumAvg: 4.66 atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } atom: 1339 113K-HD2 D 1.7 ambi=2 { CD:29.8 } :: atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } atom: 1340 113K-HD3 D 1.73 ambi=2 { CD:29.8 } :: atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } atom: 1339 113K-HD2 D 1.7 ambi=2 { CD:29.8 } :: atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } atom: 1340 113K-HD3 D 1.73 ambi=2 { CD:29.8 } ::sumAvg: 4.66 atom: 1339 113K-HD2 D 1.7 ambi=2 { CD:29.8 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } :: atom: 1340 113K-HD3 D 1.73 ambi=2 { CD:29.8 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } :: atom: 1339 113K-HD2 D 1.7 ambi=2 { CD:29.8 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } :: atom: 1340 113K-HD3 D 1.73 ambi=2 { CD:29.8 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } ::sumAvg: 4.66 atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } :: atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } ::sumAvg: 4.77 atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } :: atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } atom: 1302 110D-HB2 B 3.31 ambi=2 { CB:40.2 } :: atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } :: atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } atom: 1303 110D-HB3 B 2.69 ambi=2 { CB:40.2 } ::sumAvg: 4.77 atom: 1321 112R-HB2 B 2.03 ambi=2 { CB:29.1 } atom: 1308 111V-H N 7.04 ambi=1 { N:119 } :: atom: 1322 112R-HB3 B 2.16 ambi=2 { CB:29.1 } atom: 1308 111V-H N 7.04 ambi=1 { N:119 } ::sumAvg: 4.825 atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } ::sumAvg: 3.525 atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } ::sumAvg: 4.08 atom: 1335 113K-HB2 B 2.02 ambi=2 { CB:33 } atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } :: atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } ::sumAvg: 4.545 atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } atom: 1354 114L-HG G 1.77 ambi=1 { CG:27.1 } ::sumAvg: 3.865 atom: 1354 114L-HG G 1.77 ambi=1 { CG:27.1 } atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } ::sumAvg: 3.865 atom: 1309 111V-HA A 3.49 ambi=1 { CA:67.5 } atom: 1364 115V-H N 8.45 ambi=1 { N:119.3 } ::sumAvg: 4.305 atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } atom: 1320 112R-HA A 3.15 ambi=1 { CA:60.2 } ::sumAvg: 4.4 atom: 1320 112R-HA A 3.15 ambi=1 { CA:60.2 } atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } ::sumAvg: 4.4 atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } atom: 1321 112R-HB2 B 2.03 ambi=2 { CB:29.1 } ::sumAvg: 4.64 atom: 1321 112R-HB2 B 2.03 ambi=2 { CB:29.1 } atom: 1310 111V-HB B 2.51 ambi=1 { CB:30.9 } ::sumAvg: 4.64 atom: 1311 111V-HG1 G1 0.93 ambi=2 { CG1:23 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } :: atom: 1312 111V-HG2 G2 1.37 ambi=2 { CG2:22.5 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } ::sumAvg: 4.765 atom: 1311 111V-HG1 G1 0.93 ambi=2 { CG1:23 } atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } :: atom: 1312 111V-HG2 G2 1.37 ambi=2 { CG2:22.5 } atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } ::sumAvg: 4.085 atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } :: atom: 1324 112R-HG3 G 1.03 ambi=2 { CG:26.8 } atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } ::sumAvg: 4.46 atom: 1325 112R-HD2 D 3.02 ambi=2 { CD:42.6 } atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } :: atom: 1326 112R-HD3 D 3.21 ambi=2 { CD:42.6 } atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } ::sumAvg: 4.915 atom: 1335 113K-HB2 B 2.02 ambi=2 { CB:33 } atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } :: atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } ::sumAvg: 4.805 atom: 1337 113K-HG2 G 1.74 ambi=2 { CG:26.1 } atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } :: atom: 1338 113K-HG3 G 1.3 ambi=2 { CG:26.1 } atom: 1319 112R-H N 8.53 ambi=1 { N:121.2 } ::sumAvg: 4.735 atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } atom: 1320 112R-HA A 3.15 ambi=1 { CA:60.2 } :: atom: 1324 112R-HG3 G 1.03 ambi=2 { CG:26.8 } atom: 1320 112R-HA A 3.15 ambi=1 { CA:60.2 } ::sumAvg: 2.765 atom: 1320 112R-HA A 3.15 ambi=1 { CA:60.2 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } ::sumAvg: 3.525 atom: 1320 112R-HA A 3.15 ambi=1 { CA:60.2 } atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } ::sumAvg: 4.82 atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } atom: 1320 112R-HA A 3.15 ambi=1 { CA:60.2 } ::sumAvg: 4.82 atom: 1320 112R-HA A 3.15 ambi=1 { CA:60.2 } atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } ::sumAvg: 4.4 atom: 1320 112R-HA A 3.15 ambi=1 { CA:60.2 } atom: 1364 115V-H N 8.45 ambi=1 { N:119.3 } ::sumAvg: 3.43 atom: 1320 112R-HA A 3.15 ambi=1 { CA:60.2 } atom: 1375 116I-H N 8.44 ambi=1 { N:118.4 } ::sumAvg: 4.295 atom: 1320 112R-HA A 3.15 ambi=1 { CA:60.2 } atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } :: atom: 1320 112R-HA A 3.15 ambi=1 { CA:60.2 } atom: 1379 116I-HG13 G1 1.23 ambi=2 { CG1:28.6 } ::sumAvg: 4.7 atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } atom: 1320 112R-HA A 3.15 ambi=1 { CA:60.2 } :: atom: 1379 116I-HG13 G1 1.23 ambi=2 { CG1:28.6 } atom: 1320 112R-HA A 3.15 ambi=1 { CA:60.2 } ::sumAvg: 4.7 atom: 1321 112R-HB2 B 2.03 ambi=2 { CB:29.1 } atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } :: atom: 1321 112R-HB2 B 2.03 ambi=2 { CB:29.1 } atom: 1324 112R-HG3 G 1.03 ambi=2 { CG:26.8 } :: atom: 1322 112R-HB3 B 2.16 ambi=2 { CB:29.1 } atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } :: atom: 1322 112R-HB3 B 2.16 ambi=2 { CB:29.1 } atom: 1324 112R-HG3 G 1.03 ambi=2 { CG:26.8 } ::sumAvg: 2.35 atom: 1321 112R-HB2 B 2.03 ambi=2 { CB:29.1 } atom: 1325 112R-HD2 D 3.02 ambi=2 { CD:42.6 } :: atom: 1321 112R-HB2 B 2.03 ambi=2 { CB:29.1 } atom: 1326 112R-HD3 D 3.21 ambi=2 { CD:42.6 } :: atom: 1322 112R-HB3 B 2.16 ambi=2 { CB:29.1 } atom: 1325 112R-HD2 D 3.02 ambi=2 { CD:42.6 } :: atom: 1322 112R-HB3 B 2.16 ambi=2 { CB:29.1 } atom: 1326 112R-HD3 D 3.21 ambi=2 { CD:42.6 } ::sumAvg: 2.555 atom: 1325 112R-HD2 D 3.02 ambi=2 { CD:42.6 } atom: 1321 112R-HB2 B 2.03 ambi=2 { CB:29.1 } :: atom: 1326 112R-HD3 D 3.21 ambi=2 { CD:42.6 } atom: 1321 112R-HB2 B 2.03 ambi=2 { CB:29.1 } :: atom: 1325 112R-HD2 D 3.02 ambi=2 { CD:42.6 } atom: 1322 112R-HB3 B 2.16 ambi=2 { CB:29.1 } :: atom: 1326 112R-HD3 D 3.21 ambi=2 { CD:42.6 } atom: 1322 112R-HB3 B 2.16 ambi=2 { CB:29.1 } ::sumAvg: 2.555 atom: 1321 112R-HB2 B 2.03 ambi=2 { CB:29.1 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } :: atom: 1322 112R-HB3 B 2.16 ambi=2 { CB:29.1 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } ::sumAvg: 2.685 atom: 1321 112R-HB2 B 2.03 ambi=2 { CB:29.1 } atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } :: atom: 1322 112R-HB3 B 2.16 ambi=2 { CB:29.1 } atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } ::sumAvg: 4.945 atom: 1321 112R-HB2 B 2.03 ambi=2 { CB:29.1 } atom: 1338 113K-HG3 G 1.3 ambi=2 { CG:26.1 } :: atom: 1322 112R-HB3 B 2.16 ambi=2 { CB:29.1 } atom: 1337 113K-HG2 G 1.74 ambi=2 { CG:26.1 } :: atom: 1322 112R-HB3 B 2.16 ambi=2 { CB:29.1 } atom: 1338 113K-HG3 G 1.3 ambi=2 { CG:26.1 } ::sumAvg: 3.77 atom: 1321 112R-HB2 B 2.03 ambi=2 { CB:29.1 } atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } :: atom: 1322 112R-HB3 B 2.16 ambi=2 { CB:29.1 } atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } ::sumAvg: 4.69 atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } atom: 1321 112R-HB2 B 2.03 ambi=2 { CB:29.1 } :: atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } atom: 1322 112R-HB3 B 2.16 ambi=2 { CB:29.1 } ::sumAvg: 4.69 atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } :: atom: 1324 112R-HG3 G 1.03 ambi=2 { CG:26.8 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } ::sumAvg: 4.005 atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } :: atom: 1324 112R-HG3 G 1.03 ambi=2 { CG:26.8 } atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } ::sumAvg: 4.065 atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } atom: 1337 113K-HG2 G 1.74 ambi=2 { CG:26.1 } :: atom: 1324 112R-HG3 G 1.03 ambi=2 { CG:26.8 } atom: 1337 113K-HG2 G 1.74 ambi=2 { CG:26.1 } ::sumAvg: 4.705 atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } atom: 1366 115V-HB B 2.04 ambi=1 { CB:31.5 } :: atom: 1324 112R-HG3 G 1.03 ambi=2 { CG:26.8 } atom: 1366 115V-HB B 2.04 ambi=1 { CB:31.5 } ::sumAvg: 3.89 atom: 1366 115V-HB B 2.04 ambi=1 { CB:31.5 } atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } :: atom: 1366 115V-HB B 2.04 ambi=1 { CB:31.5 } atom: 1324 112R-HG3 G 1.03 ambi=2 { CG:26.8 } ::sumAvg: 3.89 atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } atom: 1367 115V-HG1 G1 0.92 ambi=2 { CG1:23.4 } :: atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } ::sumAvg: 4.505 atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } atom: 1375 116I-H N 8.44 ambi=1 { N:118.4 } :: atom: 1324 112R-HG3 G 1.03 ambi=2 { CG:26.8 } atom: 1375 116I-H N 8.44 ambi=1 { N:118.4 } ::sumAvg: 4.405 atom: 1324 112R-HG3 G 1.03 ambi=2 { CG:26.8 } atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } ::sumAvg: 3.61 atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } atom: 1324 112R-HG3 G 1.03 ambi=2 { CG:26.8 } ::sumAvg: 3.61 atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } atom: 1380 116I-HG2 G2 0.84 ambi=1 { CG2:17.3 } ::sumAvg: 4.505 atom: 1380 116I-HG2 G2 0.84 ambi=1 { CG2:17.3 } atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } ::sumAvg: 4.505 atom: 1323 112R-HG2 G 1.34 ambi=2 { CG:26.8 } atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } ::sumAvg: 3.23 atom: 1325 112R-HD2 D 3.02 ambi=2 { CD:42.6 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } :: atom: 1326 112R-HD3 D 3.21 ambi=2 { CD:42.6 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } ::sumAvg: 4.78 atom: 1325 112R-HD2 D 3.02 ambi=2 { CD:42.6 } atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } :: atom: 1326 112R-HD3 D 3.21 ambi=2 { CD:42.6 } atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } ::sumAvg: 4.67 atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } atom: 1325 112R-HD2 D 3.02 ambi=2 { CD:42.6 } :: atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } atom: 1326 112R-HD3 D 3.21 ambi=2 { CD:42.6 } ::sumAvg: 4.67 atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } atom: 1325 112R-HD2 D 3.02 ambi=2 { CD:42.6 } :: atom: 1379 116I-HG13 G1 1.23 ambi=2 { CG1:28.6 } atom: 1325 112R-HD2 D 3.02 ambi=2 { CD:42.6 } :: atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } atom: 1326 112R-HD3 D 3.21 ambi=2 { CD:42.6 } :: atom: 1379 116I-HG13 G1 1.23 ambi=2 { CG1:28.6 } atom: 1326 112R-HD3 D 3.21 ambi=2 { CD:42.6 } ::sumAvg: 4.85 atom: 1325 112R-HD2 D 3.02 ambi=2 { CD:42.6 } atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } :: atom: 1326 112R-HD3 D 3.21 ambi=2 { CD:42.6 } atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } ::sumAvg: 3.995 atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } ::sumAvg: 4.47 atom: 1352 114L-HB2 B 2 ambi=2 { CB:42.3 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } :: atom: 1353 114L-HB3 B 1.86 ambi=2 { CB:42.3 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } ::sumAvg: 4.67 atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } :: atom: 1379 116I-HG13 G1 1.23 ambi=2 { CG1:28.6 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } ::sumAvg: 4.865 atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } atom: 1333 113K-H N 7.49 ambi=1 { N:115.4 } ::sumAvg: 4.515 atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } atom: 1339 113K-HD2 D 1.7 ambi=2 { CD:29.8 } :: atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } atom: 1340 113K-HD3 D 1.73 ambi=2 { CD:29.8 } ::sumAvg: 4.435 atom: 1339 113K-HD2 D 1.7 ambi=2 { CD:29.8 } atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } :: atom: 1340 113K-HD3 D 1.73 ambi=2 { CD:29.8 } atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } ::sumAvg: 4.435 atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } ::sumAvg: 4.23 atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } ::sumAvg: 4.23 atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } ::sumAvg: 3.53 atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } atom: 1364 115V-H N 8.45 ambi=1 { N:119.3 } ::sumAvg: 4.425 atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } atom: 1375 116I-H N 8.44 ambi=1 { N:118.4 } ::sumAvg: 3.495 atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } :: atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } atom: 1379 116I-HG13 G1 1.23 ambi=2 { CG1:28.6 } ::sumAvg: 3.14 atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } ::sumAvg: 2.345 atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.8 atom: 1334 113K-HA A 3.67 ambi=1 { CA:60 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 4.505 atom: 1335 113K-HB2 B 2.02 ambi=2 { CB:33 } atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } :: atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } ::sumAvg: 2.945 atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } atom: 1335 113K-HB2 B 2.02 ambi=2 { CB:33 } :: atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } ::sumAvg: 2.945 atom: 1335 113K-HB2 B 2.02 ambi=2 { CB:33 } atom: 1351 114L-HA A 3.99 ambi=1 { CA:58.1 } :: atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } atom: 1351 114L-HA A 3.99 ambi=1 { CA:58.1 } ::sumAvg: 4.235 atom: 1335 113K-HB2 B 2.02 ambi=2 { CB:33 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 1335 113K-HB2 B 2.02 ambi=2 { CB:33 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } :: atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } ::sumAvg: 4.68 atom: 1335 113K-HB2 B 2.02 ambi=2 { CB:33 } atom: 1364 115V-H N 8.45 ambi=1 { N:119.3 } :: atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } atom: 1364 115V-H N 8.45 ambi=1 { N:119.3 } ::sumAvg: 4.985 atom: 1335 113K-HB2 B 2.02 ambi=2 { CB:33 } atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } :: atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } ::sumAvg: 4.4 atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } atom: 1335 113K-HB2 B 2.02 ambi=2 { CB:33 } :: atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } ::sumAvg: 4.4 atom: 1335 113K-HB2 B 2.02 ambi=2 { CB:33 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } :: atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.235 atom: 1335 113K-HB2 B 2.02 ambi=2 { CB:33 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } :: atom: 1336 113K-HB3 B 1.63 ambi=2 { CB:33 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 3.365 atom: 1337 113K-HG2 G 1.74 ambi=2 { CG:26.1 } atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } :: atom: 1338 113K-HG3 G 1.3 ambi=2 { CG:26.1 } atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } ::sumAvg: 2.305 atom: 1337 113K-HG2 G 1.74 ambi=2 { CG:26.1 } atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } :: atom: 1338 113K-HG3 G 1.3 ambi=2 { CG:26.1 } atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } ::sumAvg: 4.47 atom: 1337 113K-HG2 G 1.74 ambi=2 { CG:26.1 } atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } :: atom: 1338 113K-HG3 G 1.3 ambi=2 { CG:26.1 } atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } ::sumAvg: 3.525 atom: 1337 113K-HG2 G 1.74 ambi=2 { CG:26.1 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } :: atom: 1338 113K-HG3 G 1.3 ambi=2 { CG:26.1 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 4.775 atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } atom: 1339 113K-HD2 D 1.7 ambi=2 { CD:29.8 } :: atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } atom: 1340 113K-HD3 D 1.73 ambi=2 { CD:29.8 } ::sumAvg: 2.315 atom: 1339 113K-HD2 D 1.7 ambi=2 { CD:29.8 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } :: atom: 1340 113K-HD3 D 1.73 ambi=2 { CD:29.8 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 4.875 atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } ::sumAvg: 4.85 atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } ::sumAvg: 4.85 atom: 1341 113K-QE E 2.97 ambi=2 { CE:42.1 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 4.785 atom: 1354 114L-HG G 1.77 ambi=1 { CG:27.1 } atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } ::sumAvg: 3.36 atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } :: atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } ::sumAvg: 3.69 atom: 1366 115V-HB B 2.04 ambi=1 { CB:31.5 } atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } ::sumAvg: 4.72 atom: 1367 115V-HG1 G1 0.92 ambi=2 { CG1:23.4 } atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } :: atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } atom: 1350 114L-H N 7.54 ambi=1 { N:120.3 } ::sumAvg: 4.17 atom: 1351 114L-HA A 3.99 ambi=1 { CA:58.1 } atom: 1354 114L-HG G 1.77 ambi=1 { CG:27.1 } ::sumAvg: 2.995 atom: 1351 114L-HA A 3.99 ambi=1 { CA:58.1 } atom: 1364 115V-H N 8.45 ambi=1 { N:119.3 } ::sumAvg: 3.515 atom: 1365 115V-HA A 3.33 ambi=1 { CA:67.4 } atom: 1351 114L-HA A 3.99 ambi=1 { CA:58.1 } ::sumAvg: 4.775 atom: 1351 114L-HA A 3.99 ambi=1 { CA:58.1 } atom: 1375 116I-H N 8.44 ambi=1 { N:118.4 } ::sumAvg: 4.36 atom: 1351 114L-HA A 3.99 ambi=1 { CA:58.1 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } ::sumAvg: 2.455 atom: 1351 114L-HA A 3.99 ambi=1 { CA:58.1 } atom: 1403 118A-H N 8.37 ambi=1 { N:122.9 } ::sumAvg: 4.465 atom: 1352 114L-HB2 B 2 ambi=2 { CB:42.3 } atom: 1365 115V-HA A 3.33 ambi=1 { CA:67.4 } :: atom: 1353 114L-HB3 B 1.86 ambi=2 { CB:42.3 } atom: 1365 115V-HA A 3.33 ambi=1 { CA:67.4 } ::sumAvg: 4.36 atom: 1352 114L-HB2 B 2 ambi=2 { CB:42.3 } atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } :: atom: 1352 114L-HB2 B 2 ambi=2 { CB:42.3 } atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } :: atom: 1353 114L-HB3 B 1.86 ambi=2 { CB:42.3 } atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } :: atom: 1353 114L-HB3 B 1.86 ambi=2 { CB:42.3 } atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } ::sumAvg: 4.705 atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } atom: 1352 114L-HB2 B 2 ambi=2 { CB:42.3 } :: atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } atom: 1352 114L-HB2 B 2 ambi=2 { CB:42.3 } :: atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } atom: 1353 114L-HB3 B 1.86 ambi=2 { CB:42.3 } :: atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } atom: 1353 114L-HB3 B 1.86 ambi=2 { CB:42.3 } ::sumAvg: 4.705 atom: 1352 114L-HB2 B 2 ambi=2 { CB:42.3 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } :: atom: 1353 114L-HB3 B 1.86 ambi=2 { CB:42.3 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.535 atom: 1354 114L-HG G 1.77 ambi=1 { CG:27.1 } atom: 1364 115V-H N 8.45 ambi=1 { N:119.3 } ::sumAvg: 4.125 atom: 1354 114L-HG G 1.77 ambi=1 { CG:27.1 } atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } :: atom: 1354 114L-HG G 1.77 ambi=1 { CG:27.1 } atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } ::sumAvg: 4.91 atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } atom: 1354 114L-HG G 1.77 ambi=1 { CG:27.1 } :: atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } atom: 1354 114L-HG G 1.77 ambi=1 { CG:27.1 } ::sumAvg: 4.91 atom: 1354 114L-HG G 1.77 ambi=1 { CG:27.1 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.56 atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 1364 115V-H N 8.45 ambi=1 { N:119.3 } :: atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } atom: 1364 115V-H N 8.45 ambi=1 { N:119.3 } ::sumAvg: 4.47 atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } ::sumAvg: 4.39 atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } ::sumAvg: 4.39 atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 1389 117F-H N 8.13 ambi=1 { N:119.6 } :: atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } atom: 1389 117F-H N 8.13 ambi=1 { N:119.6 } ::sumAvg: 4.63 atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } :: atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } :: atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } ::sumAvg: 3.17 atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } :: atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } ::sumAvg: 2.35 atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } :: atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 3.415 atom: 1355 114L-HD1 D1 1.09 ambi=2 { CD1:25.8 } atom: 1403 118A-H N 8.37 ambi=1 { N:122.9 } :: atom: 1356 114L-HD2 D2 1.01 ambi=2 { CD2:24 } atom: 1403 118A-H N 8.37 ambi=1 { N:122.9 } ::sumAvg: 4.84 atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } atom: 1364 115V-H N 8.45 ambi=1 { N:119.3 } :: atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } atom: 1364 115V-H N 8.45 ambi=1 { N:119.3 } ::sumAvg: 4.95 atom: 1365 115V-HA A 3.33 ambi=1 { CA:67.4 } atom: 1403 118A-H N 8.37 ambi=1 { N:122.9 } ::sumAvg: 3.28 atom: 1365 115V-HA A 3.33 ambi=1 { CA:67.4 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } ::sumAvg: 4.205 atom: 1366 115V-HB B 2.04 ambi=1 { CB:31.5 } atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } :: atom: 1366 115V-HB B 2.04 ambi=1 { CB:31.5 } atom: 1379 116I-HG13 G1 1.23 ambi=2 { CG1:28.6 } ::sumAvg: 3.865 atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } atom: 1366 115V-HB B 2.04 ambi=1 { CB:31.5 } :: atom: 1379 116I-HG13 G1 1.23 ambi=2 { CG1:28.6 } atom: 1366 115V-HB B 2.04 ambi=1 { CB:31.5 } ::sumAvg: 3.865 atom: 1380 116I-HG2 G2 0.84 ambi=1 { CG2:17.3 } atom: 1366 115V-HB B 2.04 ambi=1 { CB:31.5 } ::sumAvg: 4.35 atom: 1367 115V-HG1 G1 0.92 ambi=2 { CG1:23.4 } atom: 1403 118A-H N 8.37 ambi=1 { N:122.9 } :: atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } atom: 1403 118A-H N 8.37 ambi=1 { N:122.9 } ::sumAvg: 4.45 atom: 1367 115V-HG1 G1 0.92 ambi=2 { CG1:23.4 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } :: atom: 1368 115V-HG2 G2 0.67 ambi=2 { CG2:21.2 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } ::sumAvg: 3.865 atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } atom: 1375 116I-H N 8.44 ambi=1 { N:118.4 } :: atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } atom: 1375 116I-H N 8.44 ambi=1 { N:118.4 } ::sumAvg: 4.72 atom: 1413 119V-HG1 G1 0.91 ambi=2 { CG1:21.2 } atom: 1375 116I-H N 8.44 ambi=1 { N:118.4 } :: atom: 1414 119V-HG2 G2 0.98 ambi=2 { CG2:22.6 } atom: 1375 116I-H N 8.44 ambi=1 { N:118.4 } ::sumAvg: 4.47 atom: 1376 116I-HA A 3.62 ambi=1 { CA:64.2 } atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } ::sumAvg: 4.795 atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } atom: 1376 116I-HA A 3.62 ambi=1 { CA:64.2 } ::sumAvg: 4.795 atom: 1376 116I-HA A 3.62 ambi=1 { CA:64.2 } atom: 1403 118A-H N 8.37 ambi=1 { N:122.9 } ::sumAvg: 4.35 atom: 1376 116I-HA A 3.62 ambi=1 { CA:64.2 } atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 4.85 atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } atom: 1376 116I-HA A 3.62 ambi=1 { CA:64.2 } ::sumAvg: 4.85 atom: 1376 116I-HA A 3.62 ambi=1 { CA:64.2 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } ::sumAvg: 3.28 atom: 1376 116I-HA A 3.62 ambi=1 { CA:64.2 } atom: 1421 120N-H N 8.75 ambi=1 { N:118.8 } ::sumAvg: 4.115 atom: 1377 116I-HB B 1.82 ambi=1 { CB:36.9 } atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } ::sumAvg: 4.58 atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } atom: 1377 116I-HB B 1.82 ambi=1 { CB:36.9 } ::sumAvg: 4.58 atom: 1377 116I-HB B 1.82 ambi=1 { CB:36.9 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } ::sumAvg: 3.85 atom: 1377 116I-HB B 1.82 ambi=1 { CB:36.9 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 4.685 atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } atom: 1389 117F-H N 8.13 ambi=1 { N:119.6 } :: atom: 1379 116I-HG13 G1 1.23 ambi=2 { CG1:28.6 } atom: 1389 117F-H N 8.13 ambi=1 { N:119.6 } ::sumAvg: 3.45 atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } :: atom: 1379 116I-HG13 G1 1.23 ambi=2 { CG1:28.6 } atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } ::sumAvg: 4.96 atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } :: atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } atom: 1379 116I-HG13 G1 1.23 ambi=2 { CG1:28.6 } ::sumAvg: 4.96 atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } :: atom: 1379 116I-HG13 G1 1.23 ambi=2 { CG1:28.6 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.33 atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } atom: 1412 119V-HB B 2.07 ambi=1 { CB:31.8 } :: atom: 1379 116I-HG13 G1 1.23 ambi=2 { CG1:28.6 } atom: 1412 119V-HB B 2.07 ambi=1 { CB:31.8 } ::sumAvg: 4.725 atom: 1412 119V-HB B 2.07 ambi=1 { CB:31.8 } atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } :: atom: 1412 119V-HB B 2.07 ambi=1 { CB:31.8 } atom: 1379 116I-HG13 G1 1.23 ambi=2 { CG1:28.6 } ::sumAvg: 4.725 atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } atom: 1413 119V-HG1 G1 0.91 ambi=2 { CG1:21.2 } :: atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } atom: 1414 119V-HG2 G2 0.98 ambi=2 { CG2:22.6 } ::sumAvg: 4.755 atom: 1413 119V-HG1 G1 0.91 ambi=2 { CG1:21.2 } atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } :: atom: 1414 119V-HG2 G2 0.98 ambi=2 { CG2:22.6 } atom: 1378 116I-HG12 G1 1.46 ambi=2 { CG1:28.6 } ::sumAvg: 4.755 atom: 1380 116I-HG2 G2 0.84 ambi=1 { CG2:17.3 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } ::sumAvg: 3.845 atom: 1380 116I-HG2 G2 0.84 ambi=1 { CG2:17.3 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 4.52 atom: 1380 116I-HG2 G2 0.84 ambi=1 { CG2:17.3 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } ::sumAvg: 4.62 atom: 1380 116I-HG2 G2 0.84 ambi=1 { CG2:17.3 } atom: 1412 119V-HB B 2.07 ambi=1 { CB:31.8 } ::sumAvg: 3.685 atom: 1380 116I-HG2 G2 0.84 ambi=1 { CG2:17.3 } atom: 1421 120N-H N 8.75 ambi=1 { N:118.8 } ::sumAvg: 4.655 atom: 1380 116I-HG2 G2 0.84 ambi=1 { CG2:17.3 } atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } :: atom: 1380 116I-HG2 G2 0.84 ambi=1 { CG2:17.3 } atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } ::sumAvg: 4.99 atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } atom: 1380 116I-HG2 G2 0.84 ambi=1 { CG2:17.3 } :: atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } atom: 1380 116I-HG2 G2 0.84 ambi=1 { CG2:17.3 } ::sumAvg: 4.99 atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } atom: 1389 117F-H N 8.13 ambi=1 { N:119.6 } ::sumAvg: 4.365 atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.515 atom: 1381 116I-HD1 D1 0.68 ambi=1 { CD1:12.3 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 4.34 atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } atom: 1395 117F-QE E 7.33 ambi=3 { CE1:130.9 } ::sumAvg: 4.275 atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } ::sumAvg: 4.43 atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } atom: 1421 120N-H N 8.75 ambi=1 { N:118.8 } ::sumAvg: 3.555 atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } atom: 1425 120N-HD21 D2 6.87 ambi=2 { ND2:111.4 } :: atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } atom: 1426 120N-HD22 D2 7.54 ambi=2 { ND2:111.4 } ::sumAvg: 3.38 atom: 1390 117F-HA A 4.37 ambi=1 { CA:60.9 } atom: 1432 121S-H N 7.75 ambi=1 { N:115.9 } ::sumAvg: 4.41 atom: 1404 118A-HA A 4 ambi=1 { CA:55.4 } atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } :: atom: 1404 118A-HA A 4 ambi=1 { CA:55.4 } atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } ::sumAvg: 4.315 atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } :: atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 3.96 atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } :: atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } ::sumAvg: 4.98 atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } :: atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } :: atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } ::sumAvg: 4.81 atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } :: atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } atom: 1391 117F-HB2 B 3.35 ambi=2 { CB:38.5 } :: atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } atom: 1392 117F-HB3 B 3.13 ambi=2 { CB:38.5 } ::sumAvg: 4.81 atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } :: atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } atom: 1393 117F-QD D 7.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.22 atom: 1404 118A-HA A 4 ambi=1 { CA:55.4 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } ::sumAvg: 3.525 atom: 1404 118A-HA A 4 ambi=1 { CA:55.4 } atom: 1411 119V-HA A 3.51 ambi=1 { CA:66.7 } ::sumAvg: 4.785 atom: 1411 119V-HA A 3.51 ambi=1 { CA:66.7 } atom: 1404 118A-HA A 4 ambi=1 { CA:55.4 } ::sumAvg: 4.785 atom: 1404 118A-HA A 4 ambi=1 { CA:55.4 } atom: 1421 120N-H N 8.75 ambi=1 { N:118.8 } ::sumAvg: 4.415 atom: 1404 118A-HA A 4 ambi=1 { CA:55.4 } atom: 1432 121S-H N 7.75 ambi=1 { N:115.9 } ::sumAvg: 3.495 atom: 1404 118A-HA A 4 ambi=1 { CA:55.4 } atom: 1440 122L-H N 7.51 ambi=1 { N:122.2 } ::sumAvg: 4.325 atom: 1445 122L-HD1 D1 0.94 ambi=2 { CD1:25 } atom: 1404 118A-HA A 4 ambi=1 { CA:55.4 } :: atom: 1446 122L-HD2 D2 0.89 ambi=2 { CD2:24.4 } atom: 1404 118A-HA A 4 ambi=1 { CA:55.4 } ::sumAvg: 4.47 atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } atom: 1411 119V-HA A 3.51 ambi=1 { CA:66.7 } ::sumAvg: 3.85 atom: 1411 119V-HA A 3.51 ambi=1 { CA:66.7 } atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 3.85 atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } atom: 1412 119V-HB B 2.07 ambi=1 { CB:31.8 } ::sumAvg: 4.58 atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } atom: 1421 120N-H N 8.75 ambi=1 { N:118.8 } ::sumAvg: 4.51 atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } atom: 1432 121S-H N 7.75 ambi=1 { N:115.9 } ::sumAvg: 4.585 atom: 1405 118A-HB B 1.65 ambi=1 { CB:19.1 } atom: 1440 122L-H N 7.51 ambi=1 { N:122.2 } ::sumAvg: 4.805 atom: 1442 122L-QB B 1.73 ambi=2 { CB:42.2 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } ::sumAvg: 4.905 atom: 1445 122L-HD1 D1 0.94 ambi=2 { CD1:25 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } :: atom: 1446 122L-HD2 D2 0.89 ambi=2 { CD2:24.4 } atom: 1410 119V-H N 8.84 ambi=1 { N:119.4 } ::sumAvg: 4.735 atom: 1411 119V-HA A 3.51 ambi=1 { CA:66.7 } atom: 1422 120N-HA A 4.44 ambi=1 { CA:55.6 } ::sumAvg: 4.78 atom: 1422 120N-HA A 4.44 ambi=1 { CA:55.6 } atom: 1411 119V-HA A 3.51 ambi=1 { CA:66.7 } ::sumAvg: 4.78 atom: 1411 119V-HA A 3.51 ambi=1 { CA:66.7 } atom: 1432 121S-H N 7.75 ambi=1 { N:115.9 } ::sumAvg: 4.255 atom: 1444 122L-HG G 1.76 ambi=1 { CG:26.8 } atom: 1411 119V-HA A 3.51 ambi=1 { CA:66.7 } ::sumAvg: 4.77 atom: 1411 119V-HA A 3.51 ambi=1 { CA:66.7 } atom: 1454 123E-H N 7.91 ambi=1 { N:117.9 } ::sumAvg: 4.32 atom: 1412 119V-HB B 2.07 ambi=1 { CB:31.8 } atom: 1422 120N-HA A 4.44 ambi=1 { CA:55.6 } ::sumAvg: 4.42 atom: 1422 120N-HA A 4.44 ambi=1 { CA:55.6 } atom: 1412 119V-HB B 2.07 ambi=1 { CB:31.8 } ::sumAvg: 4.42 atom: 1412 119V-HB B 2.07 ambi=1 { CB:31.8 } atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } :: atom: 1412 119V-HB B 2.07 ambi=1 { CB:31.8 } atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } ::sumAvg: 4.995 atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } atom: 1412 119V-HB B 2.07 ambi=1 { CB:31.8 } :: atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } atom: 1412 119V-HB B 2.07 ambi=1 { CB:31.8 } ::sumAvg: 4.995 atom: 1412 119V-HB B 2.07 ambi=1 { CB:31.8 } atom: 1432 121S-H N 7.75 ambi=1 { N:115.9 } ::sumAvg: 4.985 atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } atom: 1413 119V-HG1 G1 0.91 ambi=2 { CG1:21.2 } :: atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } atom: 1413 119V-HG1 G1 0.91 ambi=2 { CG1:21.2 } :: atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } atom: 1414 119V-HG2 G2 0.98 ambi=2 { CG2:22.6 } :: atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } atom: 1414 119V-HG2 G2 0.98 ambi=2 { CG2:22.6 } ::sumAvg: 4.905 atom: 1413 119V-HG1 G1 0.91 ambi=2 { CG1:21.2 } atom: 1432 121S-H N 7.75 ambi=1 { N:115.9 } :: atom: 1414 119V-HG2 G2 0.98 ambi=2 { CG2:22.6 } atom: 1432 121S-H N 7.75 ambi=1 { N:115.9 } ::sumAvg: 4.79 atom: 1413 119V-HG1 G1 0.91 ambi=2 { CG1:21.2 } atom: 1454 123E-H N 7.91 ambi=1 { N:117.9 } :: atom: 1414 119V-HG2 G2 0.98 ambi=2 { CG2:22.6 } atom: 1454 123E-H N 7.91 ambi=1 { N:117.9 } ::sumAvg: 4.11 atom: 1434 121S-HB2 B 3.87 ambi=2 { CB:62.9 } atom: 1421 120N-H N 8.75 ambi=1 { N:118.8 } :: atom: 1435 121S-HB3 B 3.77 ambi=2 { CB:62.9 } atom: 1421 120N-H N 8.75 ambi=1 { N:118.8 } ::sumAvg: 4.8 atom: 1442 122L-QB B 1.73 ambi=2 { CB:42.2 } atom: 1421 120N-H N 8.75 ambi=1 { N:118.8 } ::sumAvg: 4.93 atom: 1422 120N-HA A 4.44 ambi=1 { CA:55.6 } atom: 1425 120N-HD21 D2 6.87 ambi=2 { ND2:111.4 } :: atom: 1422 120N-HA A 4.44 ambi=1 { CA:55.6 } atom: 1426 120N-HD22 D2 7.54 ambi=2 { ND2:111.4 } ::sumAvg: 4.285 atom: 1422 120N-HA A 4.44 ambi=1 { CA:55.6 } atom: 1440 122L-H N 7.51 ambi=1 { N:122.2 } ::sumAvg: 4.225 atom: 1422 120N-HA A 4.44 ambi=1 { CA:55.6 } atom: 1454 123E-H N 7.91 ambi=1 { N:117.9 } ::sumAvg: 3.675 atom: 1422 120N-HA A 4.44 ambi=1 { CA:55.6 } atom: 1458 123E-HG2 G 2.26 ambi=2 { CG:35.1 } :: atom: 1422 120N-HA A 4.44 ambi=1 { CA:55.6 } atom: 1459 123E-HG3 G 2.36 ambi=2 { CG:35.1 } ::sumAvg: 4.25 atom: 1458 123E-HG2 G 2.26 ambi=2 { CG:35.1 } atom: 1422 120N-HA A 4.44 ambi=1 { CA:55.6 } :: atom: 1459 123E-HG3 G 2.36 ambi=2 { CG:35.1 } atom: 1422 120N-HA A 4.44 ambi=1 { CA:55.6 } ::sumAvg: 4.25 atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } atom: 1433 121S-HA A 4.13 ambi=1 { CA:61.2 } :: atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } atom: 1433 121S-HA A 4.13 ambi=1 { CA:61.2 } ::sumAvg: 4.17 atom: 1433 121S-HA A 4.13 ambi=1 { CA:61.2 } atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } :: atom: 1433 121S-HA A 4.13 ambi=1 { CA:61.2 } atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } ::sumAvg: 4.17 atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } atom: 1434 121S-HB2 B 3.87 ambi=2 { CB:62.9 } :: atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } atom: 1435 121S-HB3 B 3.77 ambi=2 { CB:62.9 } :: atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } atom: 1434 121S-HB2 B 3.87 ambi=2 { CB:62.9 } :: atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } atom: 1435 121S-HB3 B 3.77 ambi=2 { CB:62.9 } ::sumAvg: 4.795 atom: 1434 121S-HB2 B 3.87 ambi=2 { CB:62.9 } atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } :: atom: 1435 121S-HB3 B 3.77 ambi=2 { CB:62.9 } atom: 1423 120N-HB2 B 2.9 ambi=2 { CB:38 } :: atom: 1434 121S-HB2 B 3.87 ambi=2 { CB:62.9 } atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } :: atom: 1435 121S-HB3 B 3.77 ambi=2 { CB:62.9 } atom: 1424 120N-HB3 B 2.71 ambi=2 { CB:38 } ::sumAvg: 4.795 atom: 1442 122L-QB B 1.73 ambi=2 { CB:42.2 } atom: 1432 121S-H N 7.75 ambi=1 { N:115.9 } ::sumAvg: 4.305 atom: 1433 121S-HA A 4.13 ambi=1 { CA:61.2 } atom: 1454 123E-H N 7.91 ambi=1 { N:117.9 } ::sumAvg: 4.455 atom: 1442 122L-QB B 1.73 ambi=2 { CB:42.2 } atom: 1434 121S-HB2 B 3.87 ambi=2 { CB:62.9 } :: atom: 1442 122L-QB B 1.73 ambi=2 { CB:42.2 } atom: 1435 121S-HB3 B 3.77 ambi=2 { CB:62.9 } ::sumAvg: 4.785 atom: 1444 122L-HG G 1.76 ambi=1 { CG:26.8 } atom: 1440 122L-H N 7.51 ambi=1 { N:122.2 } ::sumAvg: 3.455 atom: 1456 123E-QB B 1.98 ambi=2 { CB:29.2 } atom: 1440 122L-H N 7.51 ambi=1 { N:122.2 } ::sumAvg: 4.555 atom: 1442 122L-QB B 1.73 ambi=2 { CB:42.2 } atom: 1458 123E-HG2 G 2.26 ambi=2 { CG:35.1 } :: atom: 1442 122L-QB B 1.73 ambi=2 { CB:42.2 } atom: 1459 123E-HG3 G 2.36 ambi=2 { CG:35.1 } ::sumAvg: 4.25 atom: 1442 122L-QB B 1.73 ambi=2 { CB:42.2 } atom: 1465 124H-H N 8.1 ambi=1 { N:116.4 } ::sumAvg: 4.095 atom: 1455 123E-HA A 4.09 ambi=1 { CA:57.3 } atom: 1466 124H-HA A 4.59 ambi=1 { CA:55.8 } ::sumAvg: 4.72 atom: 1466 124H-HA A 4.59 ambi=1 { CA:55.8 } atom: 1455 123E-HA A 4.09 ambi=1 { CA:57.3 } ::sumAvg: 4.72 atom: 1456 123E-QB B 1.98 ambi=2 { CB:29.2 } atom: 1466 124H-HA A 4.59 ambi=1 { CA:55.8 } ::sumAvg: 4.6 atom: 1466 124H-HA A 4.59 ambi=1 { CA:55.8 } atom: 1456 123E-QB B 1.98 ambi=2 { CB:29.2 } ::sumAvg: 4.6 atom: 1458 123E-HG2 G 2.26 ambi=2 { CG:35.1 } atom: 1465 124H-H N 8.1 ambi=1 { N:116.4 } :: atom: 1459 123E-HG3 G 2.36 ambi=2 { CG:35.1 } atom: 1465 124H-H N 8.1 ambi=1 { N:116.4 } ::sumAvg: 4.305 atom: 1467 124H-HB2 B 3.24 ambi=2 { CB:28.5 } atom: 1481 126H-H N 8.42 ambi=1 { N:118.6 } :: atom: 1468 124H-HB3 B 3.14 ambi=2 { CB:28.5 } atom: 1481 126H-H N 8.42 ambi=1 { N:118.6 } ::sumAvg: 4.5 atom: 1482 126H-HA A 4.68 ambi=1 { CA:55.3 } atom: 1473 125H-H N 8.13 ambi=1 { N:117.4 } ::sumAvg: 4.82 atom: 1475 125H-HB2 B 3.26 ambi=2 { CB:28.9 } atom: 1481 126H-H N 8.42 ambi=1 { N:118.6 } :: atom: 1476 125H-HB3 B 3.16 ambi=2 { CB:28.9 } atom: 1481 126H-H N 8.42 ambi=1 { N:118.6 } ::sumAvg: 3.305 atom: 1483 126H-HB2 B 3.15 ambi=2 { CB:28.8 } atom: 1481 126H-H N 8.42 ambi=1 { N:118.6 } :: atom: 1484 126H-HB3 B 3.24 ambi=2 { CB:28.8 } atom: 1481 126H-H N 8.42 ambi=1 { N:118.6 } ::sumAvg: 3.05 atom: 1483 126H-HB2 B 3.15 ambi=2 { CB:28.8 } atom: 1489 127H-H N 8.54 ambi=1 { N:119.6 } :: atom: 1484 126H-HB3 B 3.24 ambi=2 { CB:28.8 } atom: 1489 127H-H N 8.54 ambi=1 { N:119.6 } ::sumAvg: 3.09 atom: 1483 126H-HB2 B 3.15 ambi=2 { CB:28.8 } atom: 1497 128H-H N 8.55 ambi=1 { N:120.3 } :: atom: 1484 126H-HB3 B 3.24 ambi=2 { CB:28.8 } atom: 1497 128H-H N 8.55 ambi=1 { N:120.3 } ::sumAvg: 4.61 atom: 1491 127H-HB2 B 3.24 ambi=2 { CB:29.3 } atom: 1489 127H-H N 8.54 ambi=1 { N:119.6 } :: atom: 1492 127H-HB3 B 3.15 ambi=2 { CB:29.3 } atom: 1489 127H-H N 8.54 ambi=1 { N:119.6 } ::sumAvg: 2.995 atom: 1491 127H-HB2 B 3.24 ambi=2 { CB:29.3 } atom: 1497 128H-H N 8.55 ambi=1 { N:120.3 } :: atom: 1492 127H-HB3 B 3.15 ambi=2 { CB:29.3 } atom: 1497 128H-H N 8.55 ambi=1 { N:120.3 } ::sumAvg: 3.35 atom: 1491 127H-HB2 B 3.24 ambi=2 { CB:29.3 } atom: 1505 129H-H N 8.39 ambi=1 { N:125.5 } :: atom: 1492 127H-HB3 B 3.15 ambi=2 { CB:29.3 } atom: 1505 129H-H N 8.39 ambi=1 { N:125.5 } ::sumAvg: 4.715 atom: 1499 128H-QB B 3.24 ambi=2 { CB:29.4 } atom: 1497 128H-H N 8.55 ambi=1 { N:120.3 } ::sumAvg: 2.85 atom: 1499 128H-QB B 3.24 ambi=2 { CB:29.4 } atom: 1505 129H-H N 8.39 ambi=1 { N:125.5 } ::sumAvg: 2.86 atom: 1506 129H-HA A 4.67 ambi=1 { CA:57 } atom: 1499 128H-QB B 3.24 ambi=2 { CB:29.4 } ::sumAvg: 4.49 atom: 1507 129H-QB B 3.24 ambi=2 { CB:29.6 } atom: 1505 129H-H N 8.39 ambi=1 { N:125.5 } ::sumAvg: 2.68 atom: 1506 129H-HA A 4.67 ambi=1 { CA:57 } atom: 1507 129H-QB B 3.24 ambi=2 { CB:29.6 } ::sumAvg: 2.385