# created by AutoStructure/RPF Version 2.2.1 Copyright(C) 2007 # Missing interactons for nnoeabs.peaks atom: 14 11M-H N 8.21 ambi=1 { N:121.291 } atom: 12 10H-HD2 D2 7.056 ambi=1 { CD2:119.655 } ::sumAvg: 4.6 atom: 24 12N-H N 8.67 ambi=1 { N:120.342 } atom: 14 11M-H N 8.21 ambi=1 { N:121.291 } ::sumAvg: 3.56 atom: 34 13S-H N 8.499 ambi=1 { N:116.077 } atom: 16 11M-HA A 4.366 ambi=1 { CA:55.899 } ::sumAvg: 4.81 atom: 24 12N-H N 8.67 ambi=1 { N:120.342 } atom: 31 12N-HD21 D2 7.616 ambi=2 { ND2:112.635 } :: atom: 24 12N-H N 8.67 ambi=1 { N:120.342 } atom: 32 12N-HD22 D2 6.956 ambi=2 { ND2:112.635 } ::sumAvg: 3.6 atom: 31 12N-HD21 D2 7.616 ambi=2 { ND2:112.635 } atom: 24 12N-H N 8.67 ambi=1 { N:120.342 } :: atom: 32 12N-HD22 D2 6.956 ambi=2 { ND2:112.635 } atom: 24 12N-H N 8.67 ambi=1 { N:120.342 } ::sumAvg: 3.6 atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } atom: 26 12N-HA A 4.752 ambi=1 { CA:53.086 } ::sumAvg: 3.9 atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } atom: 26 12N-HA A 4.752 ambi=1 { CA:53.086 } ::sumAvg: 3.96 atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } atom: 28 12N-HB2 B 2.983 ambi=2 { CB:38.583 } :: atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } atom: 29 12N-HB3 B 2.884 ambi=2 { CB:38.583 } ::sumAvg: 4.34 atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } atom: 28 12N-HB2 B 2.983 ambi=2 { CB:38.583 } :: atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } atom: 29 12N-HB3 B 2.884 ambi=2 { CB:38.583 } ::sumAvg: 4.095 atom: 57 16Q-H N 8.448 ambi=1 { N:118.134 } atom: 28 12N-HB2 B 2.983 ambi=2 { CB:38.583 } :: atom: 57 16Q-H N 8.448 ambi=1 { N:118.134 } atom: 29 12N-HB3 B 2.884 ambi=2 { CB:38.583 } ::sumAvg: 4.58 atom: 31 12N-HD21 D2 7.616 ambi=2 { ND2:112.635 } atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } :: atom: 32 12N-HD22 D2 6.956 ambi=2 { ND2:112.635 } atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } ::sumAvg: 4.855 atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } atom: 31 12N-HD21 D2 7.616 ambi=2 { ND2:112.635 } :: atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } atom: 32 12N-HD22 D2 6.956 ambi=2 { ND2:112.635 } ::sumAvg: 4.855 atom: 31 12N-HD21 D2 7.616 ambi=2 { ND2:112.635 } atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } :: atom: 32 12N-HD22 D2 6.956 ambi=2 { ND2:112.635 } atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } ::sumAvg: 4.72 atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } atom: 31 12N-HD21 D2 7.616 ambi=2 { ND2:112.635 } :: atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } atom: 32 12N-HD22 D2 6.956 ambi=2 { ND2:112.635 } ::sumAvg: 4.72 atom: 31 12N-HD21 D2 7.616 ambi=2 { ND2:112.635 } atom: 51 15E-HB2 B 2.087 ambi=2 { CB:29.559 } :: atom: 31 12N-HD21 D2 7.616 ambi=2 { ND2:112.635 } atom: 52 15E-HB3 B 2.136 ambi=2 { CB:29.559 } :: atom: 32 12N-HD22 D2 6.956 ambi=2 { ND2:112.635 } atom: 51 15E-HB2 B 2.087 ambi=2 { CB:29.559 } :: atom: 32 12N-HD22 D2 6.956 ambi=2 { ND2:112.635 } atom: 52 15E-HB3 B 2.136 ambi=2 { CB:29.559 } ::sumAvg: 4.56 atom: 34 13S-H N 8.499 ambi=1 { N:116.077 } atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } ::sumAvg: 4.485 atom: 34 13S-H N 8.499 ambi=1 { N:116.077 } atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } :: atom: 34 13S-H N 8.499 ambi=1 { N:116.077 } atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } ::sumAvg: 4.935 atom: 34 13S-H N 8.499 ambi=1 { N:116.077 } atom: 1088 111L-HD1 D1 0.797 ambi=2 { CD1:24.389 } :: atom: 34 13S-H N 8.499 ambi=1 { N:116.077 } atom: 1089 111L-HD2 D2 0.733 ambi=2 { CD2:24.772 } ::sumAvg: 3.785 atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } atom: 36 13S-HA A 4.214 ambi=1 { CA:60.926 } ::sumAvg: 4.41 atom: 67 16Q-HE21 E2 7.372 ambi=2 { NE2:111.633 } atom: 38 13S-HB2 B 3.871 ambi=2 { CB:63.108 } :: atom: 68 16Q-HE22 E2 6.714 ambi=2 { NE2:111.633 } atom: 38 13S-HB2 B 3.871 ambi=2 { CB:63.108 } :: atom: 67 16Q-HE21 E2 7.372 ambi=2 { NE2:111.633 } atom: 39 13S-HB3 B 3.763 ambi=2 { CB:63.108 } :: atom: 68 16Q-HE22 E2 6.714 ambi=2 { NE2:111.633 } atom: 39 13S-HB3 B 3.763 ambi=2 { CB:63.108 } ::sumAvg: 4.46 atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } :: atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } ::sumAvg: 4.655 atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } atom: 70 17T-H N 7.994 ambi=1 { N:118.309 } ::sumAvg: 4.825 atom: 70 17T-H N 7.994 ambi=1 { N:118.309 } atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } ::sumAvg: 4.825 atom: 57 16Q-H N 8.448 ambi=1 { N:118.134 } atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } ::sumAvg: 4.79 atom: 79 18V-H N 8.585 ambi=1 { N:122.523 } atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } ::sumAvg: 4.525 atom: 327 41L-H N 8.54 ambi=1 { N:122.767 } atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } ::sumAvg: 4.87 atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } :: atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } ::sumAvg: 4.29 atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } :: atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } ::sumAvg: 4.885 atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } atom: 1088 111L-HD1 D1 0.797 ambi=2 { CD1:24.389 } :: atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } atom: 1089 111L-HD2 D2 0.733 ambi=2 { CD2:24.772 } ::sumAvg: 4.79 atom: 57 16Q-H N 8.448 ambi=1 { N:118.134 } atom: 67 16Q-HE21 E2 7.372 ambi=2 { NE2:111.633 } :: atom: 57 16Q-H N 8.448 ambi=1 { N:118.134 } atom: 68 16Q-HE22 E2 6.714 ambi=2 { NE2:111.633 } ::sumAvg: 4.435 atom: 67 16Q-HE21 E2 7.372 ambi=2 { NE2:111.633 } atom: 57 16Q-H N 8.448 ambi=1 { N:118.134 } :: atom: 68 16Q-HE22 E2 6.714 ambi=2 { NE2:111.633 } atom: 57 16Q-H N 8.448 ambi=1 { N:118.134 } ::sumAvg: 4.435 atom: 57 16Q-H N 8.448 ambi=1 { N:118.134 } atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } ::sumAvg: 4.915 atom: 57 16Q-H N 8.448 ambi=1 { N:118.134 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } :: atom: 57 16Q-H N 8.448 ambi=1 { N:118.134 } atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } ::sumAvg: 4.92 atom: 67 16Q-HE21 E2 7.372 ambi=2 { NE2:111.633 } atom: 70 17T-H N 7.994 ambi=1 { N:118.309 } :: atom: 68 16Q-HE22 E2 6.714 ambi=2 { NE2:111.633 } atom: 70 17T-H N 7.994 ambi=1 { N:118.309 } ::sumAvg: 4.53 atom: 70 17T-H N 7.994 ambi=1 { N:118.309 } atom: 67 16Q-HE21 E2 7.372 ambi=2 { NE2:111.633 } :: atom: 70 17T-H N 7.994 ambi=1 { N:118.309 } atom: 68 16Q-HE22 E2 6.714 ambi=2 { NE2:111.633 } ::sumAvg: 4.53 atom: 67 16Q-HE21 E2 7.372 ambi=2 { NE2:111.633 } atom: 76 17T-HG1 G1 5.033 ambi=1 {attached_atom is not_assigned} :: atom: 68 16Q-HE22 E2 6.714 ambi=2 { NE2:111.633 } atom: 76 17T-HG1 G1 5.033 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.515 atom: 70 17T-H N 7.994 ambi=1 { N:118.309 } atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } :: atom: 70 17T-H N 7.994 ambi=1 { N:118.309 } atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } ::sumAvg: 4.96 atom: 97 20W-H N 8.277 ambi=1 { N:125.576 } atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } ::sumAvg: 4.515 atom: 79 18V-H N 8.585 ambi=1 { N:122.523 } atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } :: atom: 79 18V-H N 8.585 ambi=1 { N:122.523 } atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } ::sumAvg: 4.93 atom: 79 18V-H N 8.585 ambi=1 { N:122.523 } atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } :: atom: 79 18V-H N 8.585 ambi=1 { N:122.523 } atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } ::sumAvg: 4.73 atom: 79 18V-H N 8.585 ambi=1 { N:122.523 } atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } ::sumAvg: 4.81 atom: 97 20W-H N 8.277 ambi=1 { N:125.576 } atom: 81 18V-HA A 3.478 ambi=1 { CA:68.103 } ::sumAvg: 4.45 atom: 97 20W-H N 8.277 ambi=1 { N:125.576 } atom: 83 18V-HB B 2.357 ambi=1 { CB:31.565 } ::sumAvg: 4.76 atom: 97 20W-H N 8.277 ambi=1 { N:125.576 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } :: atom: 97 20W-H N 8.277 ambi=1 { N:125.576 } atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } ::sumAvg: 4.905 atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } :: atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } ::sumAvg: 4.75 atom: 129 22I-H N 8.301 ambi=1 { N:119.461 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } :: atom: 129 22I-H N 8.301 ambi=1 { N:119.461 } atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } ::sumAvg: 4.285 atom: 327 41L-H N 8.54 ambi=1 { N:122.767 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } :: atom: 327 41L-H N 8.54 ambi=1 { N:122.767 } atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } ::sumAvg: 4.05 atom: 89 19T-H N 8.018 ambi=1 { N:113.87 } atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } :: atom: 89 19T-H N 8.018 ambi=1 { N:113.87 } atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } ::sumAvg: 4.92 atom: 89 19T-H N 8.018 ambi=1 { N:113.87 } atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } :: atom: 89 19T-H N 8.018 ambi=1 { N:113.87 } atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } ::sumAvg: 4.78 atom: 89 19T-H N 8.018 ambi=1 { N:113.87 } atom: 139 22I-HD1 D1 0.801 ambi=1 { CD1:14.605 } ::sumAvg: 4.145 atom: 142 23T-H N 8.745 ambi=1 { N:120.324 } atom: 94 19T-HG2 G2 1.258 ambi=1 { CG2:21.73 } ::sumAvg: 3.77 atom: 97 20W-H N 8.277 ambi=1 { N:125.576 } atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } :: atom: 97 20W-H N 8.277 ambi=1 { N:125.576 } atom: 121 21L-HB3 B 1.05 ambi=2 { CB:41.509 } ::sumAvg: 4.965 atom: 97 20W-H N 8.277 ambi=1 { N:125.576 } atom: 142 23T-H N 8.745 ambi=1 { N:120.324 } ::sumAvg: 4.825 atom: 97 20W-H N 8.277 ambi=1 { N:125.576 } atom: 147 23T-HG2 G2 1.319 ambi=1 { CG2:21.205 } ::sumAvg: 4.1 atom: 110 20W-HE1 E1 10.211 ambi=1 { NE1:131.783 } atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } :: atom: 110 20W-HE1 E1 10.211 ambi=1 { NE1:131.783 } atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } ::sumAvg: 4.925 atom: 129 22I-H N 8.301 ambi=1 { N:119.461 } atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } :: atom: 129 22I-H N 8.301 ambi=1 { N:119.461 } atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } ::sumAvg: 4.97 atom: 1158 118N-HD21 D2 5.527 ambi=2 { ND2:108.194 } atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } :: atom: 1159 118N-HD22 D2 6.121 ambi=2 { ND2:108.194 } atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } ::sumAvg: 4.73 atom: 110 20W-HE1 E1 10.211 ambi=1 { NE1:131.783 } atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } ::sumAvg: 4.96 atom: 110 20W-HE1 E1 10.211 ambi=1 { NE1:131.783 } atom: 147 23T-HG2 G2 1.319 ambi=1 { CG2:21.205 } ::sumAvg: 4.415 atom: 110 20W-HE1 E1 10.211 ambi=1 { NE1:131.783 } atom: 1155 118N-HB2 B 0.822 ambi=2 { CB:37.236 } :: atom: 110 20W-HE1 E1 10.211 ambi=1 { NE1:131.783 } atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } ::sumAvg: 4.305 atom: 110 20W-HE1 E1 10.211 ambi=1 { NE1:131.783 } atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } :: atom: 110 20W-HE1 E1 10.211 ambi=1 { NE1:131.783 } atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } ::sumAvg: 4.49 atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } ::sumAvg: 4.305 atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } atom: 113 20W-HZ2 Z2 7.331 ambi=1 { CZ2:114.077 } ::sumAvg: 4.47 atom: 1158 118N-HD21 D2 5.527 ambi=2 { ND2:108.194 } atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } :: atom: 1159 118N-HD22 D2 6.121 ambi=2 { ND2:108.194 } atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } ::sumAvg: 4.81 atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } :: atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } ::sumAvg: 4.17 atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } atom: 182 27L-HB2 B 1.397 ambi=2 { CB:47.109 } :: atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } atom: 183 27L-HB3 B 1.007 ambi=2 { CB:47.109 } ::sumAvg: 4.915 atom: 142 23T-H N 8.745 ambi=1 { N:120.324 } atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } ::sumAvg: 4.695 atom: 163 25G-H N 7.815 ambi=1 { N:105.616 } atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } ::sumAvg: 4.975 atom: 129 22I-H N 8.301 ambi=1 { N:119.461 } atom: 178 27L-H N 6.756 ambi=1 { N:120.672 } ::sumAvg: 4.71 atom: 150 24L-H N 8.086 ambi=1 { N:119.658 } atom: 134 22I-HG2 G2 0.924 ambi=1 { CG2:16.87 } ::sumAvg: 4.94 atom: 178 27L-H N 6.756 ambi=1 { N:120.672 } atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } :: atom: 178 27L-H N 6.756 ambi=1 { N:120.672 } atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } ::sumAvg: 4.74 atom: 142 23T-H N 8.745 ambi=1 { N:120.324 } atom: 154 24L-HB2 B 1.506 ambi=2 { CB:43.838 } :: atom: 142 23T-H N 8.745 ambi=1 { N:120.324 } atom: 155 24L-HB3 B 1.219 ambi=2 { CB:43.838 } ::sumAvg: 4.845 atom: 142 23T-H N 8.745 ambi=1 { N:120.324 } atom: 157 24L-HG G 1.45 ambi=1 { CG:26.501 } ::sumAvg: 4.77 atom: 163 25G-H N 7.815 ambi=1 { N:105.616 } atom: 147 23T-HG2 G2 1.319 ambi=1 { CG2:21.205 } ::sumAvg: 4.245 atom: 178 27L-H N 6.756 ambi=1 { N:120.672 } atom: 154 24L-HB2 B 1.506 ambi=2 { CB:43.838 } :: atom: 178 27L-H N 6.756 ambi=1 { N:120.672 } atom: 155 24L-HB3 B 1.219 ambi=2 { CB:43.838 } ::sumAvg: 4.785 atom: 1158 118N-HD21 D2 5.527 ambi=2 { ND2:108.194 } atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } :: atom: 1159 118N-HD22 D2 6.121 ambi=2 { ND2:108.194 } atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } :: atom: 1158 118N-HD21 D2 5.527 ambi=2 { ND2:108.194 } atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } :: atom: 1159 118N-HD22 D2 6.121 ambi=2 { ND2:108.194 } atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } ::sumAvg: 4.35 atom: 168 26V-H N 7.25 ambi=1 { N:109.764 } atom: 180 27L-HA A 4.536 ambi=1 { CA:52.609 } ::sumAvg: 4.945 atom: 168 26V-H N 7.25 ambi=1 { N:109.764 } atom: 506 57R-HG2 G 1.58 ambi=2 { CG:27.206 } :: atom: 168 26V-H N 7.25 ambi=1 { N:109.764 } atom: 507 57R-HG3 G 1.467 ambi=2 { CG:27.206 } ::sumAvg: 4.65 atom: 448 53R-H N 8.542 ambi=1 { N:120.08 } atom: 172 26V-HB B 2.194 ambi=1 { CB:31.171 } ::sumAvg: 4.785 atom: 178 27L-H N 6.756 ambi=1 { N:120.672 } atom: 193 28E-HA A 4.156 ambi=1 { CA:55.727 } ::sumAvg: 4.925 atom: 178 27L-H N 6.756 ambi=1 { N:120.672 } atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } :: atom: 178 27L-H N 6.756 ambi=1 { N:120.672 } atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } ::sumAvg: 4.075 atom: 201 29S-H N 8.61 ambi=1 { N:118.553 } atom: 216 30P-HD2 D 3.765 ambi=2 { CD:50.49 } :: atom: 201 29S-H N 8.61 ambi=1 { N:118.553 } atom: 217 30P-HD3 D 3.689 ambi=2 { CD:50.49 } ::sumAvg: 4.83 atom: 235 32K-H N 7.412 ambi=1 { N:116.608 } atom: 209 30P-HA A 4.502 ambi=1 { CA:62.525 } ::sumAvg: 4.095 atom: 259 34I-H N 8.586 ambi=1 { N:127.469 } atom: 211 30P-HB2 B 2.135 ambi=2 { CB:31.869 } :: atom: 259 34I-H N 8.586 ambi=1 { N:127.469 } atom: 212 30P-HB3 B 1.946 ambi=2 { CB:31.869 } ::sumAvg: 4.71 atom: 219 31K-H N 8.495 ambi=1 { N:119.53 } atom: 269 34I-HD1 D1 0.178 ambi=1 { CD1:12.085 } ::sumAvg: 4.96 atom: 235 32K-H N 7.412 ambi=1 { N:116.608 } atom: 232 31K-QE E 2.97 ambi=2 { CE:42.007 } ::sumAvg: 4.775 atom: 235 32K-H N 7.412 ambi=1 { N:116.608 } atom: 269 34I-HD1 D1 0.178 ambi=1 { CD1:12.085 } ::sumAvg: 4.785 atom: 251 33T-H N 8.099 ambi=1 { N:116.355 } atom: 248 32K-QE E 2.9225 ambi=2 { CE:41.772 } ::sumAvg: 4.425 atom: 277 36D-H N 7.876 ambi=1 { N:119.175 } atom: 261 34I-HA A 3.904 ambi=1 { CA:60 } ::sumAvg: 4.035 atom: 277 36D-H N 7.876 ambi=1 { N:119.175 } atom: 263 34I-HB B 1.647 ambi=1 { CB:37.642 } ::sumAvg: 4.925 atom: 295 38E-H N 8.519 ambi=1 { N:118.376 } atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } ::sumAvg: 4.655 atom: 327 41L-H N 8.54 ambi=1 { N:122.767 } atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } ::sumAvg: 4.83 atom: 277 36D-H N 7.876 ambi=1 { N:119.175 } atom: 285 37P-HA A 4.141 ambi=1 { CA:65.354 } ::sumAvg: 4.805 atom: 277 36D-H N 7.876 ambi=1 { N:119.175 } atom: 292 37P-HD2 D 3.428 ambi=2 { CD:50.158 } :: atom: 277 36D-H N 7.876 ambi=1 { N:119.175 } atom: 293 37P-HD3 D 4.043 ambi=2 { CD:50.158 } ::sumAvg: 3.96 atom: 277 36D-H N 7.876 ambi=1 { N:119.175 } atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } :: atom: 277 36D-H N 7.876 ambi=1 { N:119.175 } atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } ::sumAvg: 4.89 atom: 305 39G-H N 8.094 ambi=1 { N:108.324 } atom: 279 36D-HA A 5.102 ambi=1 { CA:50.313 } ::sumAvg: 4.405 atom: 295 38E-H N 8.519 ambi=1 { N:118.376 } atom: 281 36D-HB2 B 2.841 ambi=2 { CB:40.614 } :: atom: 295 38E-H N 8.519 ambi=1 { N:118.376 } atom: 282 36D-HB3 B 2.547 ambi=2 { CB:40.614 } ::sumAvg: 4.57 atom: 310 40F-H N 8.487 ambi=1 { N:123.072 } atom: 281 36D-HB2 B 2.841 ambi=2 { CB:40.614 } :: atom: 310 40F-H N 8.487 ambi=1 { N:123.072 } atom: 282 36D-HB3 B 2.547 ambi=2 { CB:40.614 } ::sumAvg: 3.935 atom: 305 39G-H N 8.094 ambi=1 { N:108.324 } atom: 292 37P-HD2 D 3.428 ambi=2 { CD:50.158 } :: atom: 305 39G-H N 8.094 ambi=1 { N:108.324 } atom: 293 37P-HD3 D 4.043 ambi=2 { CD:50.158 } ::sumAvg: 4.67 atom: 295 38E-H N 8.519 ambi=1 { N:118.376 } atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } :: atom: 295 38E-H N 8.519 ambi=1 { N:118.376 } atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } ::sumAvg: 4.85 atom: 295 38E-H N 8.519 ambi=1 { N:118.376 } atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } :: atom: 295 38E-H N 8.519 ambi=1 { N:118.376 } atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } ::sumAvg: 4.575 atom: 310 40F-H N 8.487 ambi=1 { N:123.072 } atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } ::sumAvg: 4.72 atom: 340 42Q-H N 8.052 ambi=1 { N:119.044 } atom: 310 40F-H N 8.487 ambi=1 { N:123.072 } ::sumAvg: 4.335 atom: 310 40F-H N 8.487 ambi=1 { N:123.072 } atom: 353 43A-H N 7.495 ambi=1 { N:118.065 } ::sumAvg: 4.93 atom: 353 43A-H N 7.495 ambi=1 { N:118.065 } atom: 310 40F-H N 8.487 ambi=1 { N:123.072 } ::sumAvg: 4.93 atom: 310 40F-H N 8.487 ambi=1 { N:123.072 } atom: 356 43A-HB B 1.336 ambi=1 { CB:17.953 } ::sumAvg: 4.945 atom: 327 41L-H N 8.54 ambi=1 { N:122.767 } atom: 359 44S-H N 7.948 ambi=1 { N:112.447 } ::sumAvg: 4.81 atom: 359 44S-H N 7.948 ambi=1 { N:112.447 } atom: 327 41L-H N 8.54 ambi=1 { N:122.767 } ::sumAvg: 4.81 atom: 327 41L-H N 8.54 ambi=1 { N:122.767 } atom: 1036 107F-QE E 6.986 ambi=3 { QCE:129.914 } ::sumAvg: 4.77 atom: 340 42Q-H N 8.052 ambi=1 { N:119.044 } atom: 374 45L-HD1 D1 0.645 ambi=2 { CD1:25.757 } :: atom: 340 42Q-H N 8.052 ambi=1 { N:119.044 } atom: 375 45L-HD2 D2 0.554 ambi=2 { CD2:21.354 } ::sumAvg: 4.61 atom: 340 42Q-H N 8.052 ambi=1 { N:119.044 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } :: atom: 340 42Q-H N 8.052 ambi=1 { N:119.044 } atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } ::sumAvg: 4.48 atom: 379 46K-H N 6.897 ambi=1 { N:121.362 } atom: 342 42Q-HA A 3.213 ambi=1 { CA:60.035 } ::sumAvg: 4.58 atom: 999 104G-H N 7.474 ambi=1 { N:107.956 } atom: 347 42Q-HG2 G 1.76 ambi=2 { CG:33.506 } :: atom: 999 104G-H N 7.474 ambi=1 { N:107.956 } atom: 348 42Q-HG3 G 1.685 ambi=2 { CG:33.506 } ::sumAvg: 4.21 atom: 353 43A-H N 7.495 ambi=1 { N:118.065 } atom: 350 42Q-HE21 E2 6.763 ambi=2 { NE2:108.883 } :: atom: 353 43A-H N 7.495 ambi=1 { N:118.065 } atom: 351 42Q-HE22 E2 6.621 ambi=2 { NE2:108.883 } ::sumAvg: 4.86 atom: 350 42Q-HE21 E2 6.763 ambi=2 { NE2:108.883 } atom: 381 46K-HA A 3.637 ambi=1 { CA:60.945 } :: atom: 351 42Q-HE22 E2 6.621 ambi=2 { NE2:108.883 } atom: 381 46K-HA A 3.637 ambi=1 { CA:60.945 } ::sumAvg: 3.975 atom: 350 42Q-HE21 E2 6.763 ambi=2 { NE2:108.883 } atom: 392 46K-HE2 E 2.655 ambi=2 { CE:41.634 } :: atom: 350 42Q-HE21 E2 6.763 ambi=2 { NE2:108.883 } atom: 393 46K-HE3 E 2.537 ambi=2 { CE:41.634 } :: atom: 351 42Q-HE22 E2 6.621 ambi=2 { NE2:108.883 } atom: 392 46K-HE2 E 2.655 ambi=2 { CE:41.634 } :: atom: 351 42Q-HE22 E2 6.621 ambi=2 { NE2:108.883 } atom: 393 46K-HE3 E 2.537 ambi=2 { CE:41.634 } ::sumAvg: 4.64 atom: 350 42Q-HE21 E2 6.763 ambi=2 { NE2:108.883 } atom: 960 101L-HA A 4.492 ambi=1 { CA:56.477 } :: atom: 351 42Q-HE22 E2 6.621 ambi=2 { NE2:108.883 } atom: 960 101L-HA A 4.492 ambi=1 { CA:56.477 } ::sumAvg: 4.115 atom: 350 42Q-HE21 E2 6.763 ambi=2 { NE2:108.883 } atom: 973 102Y-HA A 4.046 ambi=1 { CA:62.539 } :: atom: 351 42Q-HE22 E2 6.621 ambi=2 { NE2:108.883 } atom: 973 102Y-HA A 4.046 ambi=1 { CA:62.539 } ::sumAvg: 3.875 atom: 350 42Q-HE21 E2 6.763 ambi=2 { NE2:108.883 } atom: 988 103Q-HA A 4.274 ambi=1 { CA:54.96 } :: atom: 351 42Q-HE22 E2 6.621 ambi=2 { NE2:108.883 } atom: 988 103Q-HA A 4.274 ambi=1 { CA:54.96 } ::sumAvg: 4.985 atom: 353 43A-H N 7.495 ambi=1 { N:118.065 } atom: 379 46K-H N 6.897 ambi=1 { N:121.362 } ::sumAvg: 4.93 atom: 379 46K-H N 6.897 ambi=1 { N:121.362 } atom: 353 43A-H N 7.495 ambi=1 { N:118.065 } ::sumAvg: 4.93 atom: 379 46K-H N 6.897 ambi=1 { N:121.362 } atom: 363 44S-HB2 B 3.455 ambi=2 { CB:62.812 } :: atom: 379 46K-H N 6.897 ambi=1 { N:121.362 } atom: 364 44S-HB3 B 3.496 ambi=2 { CB:62.812 } ::sumAvg: 4.9 atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } atom: 368 45L-HA A 4.594 ambi=1 { CA:54.095 } ::sumAvg: 4.05 atom: 427 51L-H N 8.421 ambi=1 { N:117.454 } atom: 368 45L-HA A 4.594 ambi=1 { CA:54.095 } ::sumAvg: 3.985 atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } atom: 370 45L-HB2 B 1.754 ambi=2 { CB:43.183 } :: atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } atom: 371 45L-HB3 B 1.45 ambi=2 { CB:43.183 } ::sumAvg: 4.445 atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } atom: 379 46K-H N 6.897 ambi=1 { N:121.362 } ::sumAvg: 4.18 atom: 379 46K-H N 6.897 ambi=1 { N:121.362 } atom: 965 101L-HG G 1.619 ambi=1 { CG:27.501 } ::sumAvg: 4.36 atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } atom: 381 46K-HA A 3.637 ambi=1 { CA:60.945 } ::sumAvg: 3.98 atom: 971 102Y-H N 8.477 ambi=1 { N:119.103 } atom: 381 46K-HA A 3.637 ambi=1 { CA:60.945 } ::sumAvg: 4.71 atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } atom: 383 46K-HB2 B 1.996 ambi=2 { CB:33.195 } :: atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } atom: 384 46K-HB3 B 1.752 ambi=2 { CB:33.195 } ::sumAvg: 4.77 atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } atom: 386 46K-QG G 1.331 ambi=2 { CG:24.725 } ::sumAvg: 4.89 atom: 395 47D-H N 7.924 ambi=1 { N:110.253 } atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } :: atom: 395 47D-H N 7.924 ambi=1 { N:110.253 } atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } ::sumAvg: 4.925 atom: 395 47D-H N 7.924 ambi=1 { N:110.253 } atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } :: atom: 395 47D-H N 7.924 ambi=1 { N:110.253 } atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } ::sumAvg: 4.755 atom: 395 47D-H N 7.924 ambi=1 { N:110.253 } atom: 756 80I-HD1 D1 1.269 ambi=1 { CD1:14.08 } ::sumAvg: 4.92 atom: 395 47D-H N 7.924 ambi=1 { N:110.253 } atom: 978 102Y-QD D 7.224 ambi=3 { QCD:133.29 } ::sumAvg: 4.795 atom: 407 49V-H N 8.251 ambi=1 { N:122.677 } atom: 397 47D-HA A 4.58 ambi=1 { CA:53.171 } ::sumAvg: 4.235 atom: 407 49V-H N 8.251 ambi=1 { N:122.677 } atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } :: atom: 407 49V-H N 8.251 ambi=1 { N:122.677 } atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } ::sumAvg: 3.035 atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } :: atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } ::sumAvg: 4.555 atom: 743 79N-HD21 D2 7.406 ambi=2 { ND2:108.666 } atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } :: atom: 744 79N-HD22 D2 8.105 ambi=2 { ND2:108.666 } atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } :: atom: 743 79N-HD21 D2 7.406 ambi=2 { ND2:108.666 } atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } :: atom: 744 79N-HD22 D2 8.105 ambi=2 { ND2:108.666 } atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } ::sumAvg: 3.675 atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } ::sumAvg: 4.105 atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } ::sumAvg: 4.105 atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } atom: 421 50V-HB B 1.884 ambi=1 { CB:30.829 } ::sumAvg: 4.935 atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } :: atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } ::sumAvg: 4.7 atom: 427 51L-H N 8.421 ambi=1 { N:117.454 } atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } ::sumAvg: 4.32 atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } :: atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } ::sumAvg: 4.87 atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } ::sumAvg: 4.235 atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } :: atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } ::sumAvg: 4.42 atom: 407 49V-H N 8.251 ambi=1 { N:122.677 } atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } ::sumAvg: 4.79 atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } atom: 407 49V-H N 8.251 ambi=1 { N:122.677 } ::sumAvg: 4.79 atom: 407 49V-H N 8.251 ambi=1 { N:122.677 } atom: 608 66V-HG1 G1 0.696 ambi=2 { CG1:19.303 } :: atom: 407 49V-H N 8.251 ambi=1 { N:122.677 } atom: 609 66V-HG2 G2 0.773 ambi=2 { CG2:21.327 } ::sumAvg: 4.56 atom: 407 49V-H N 8.251 ambi=1 { N:122.677 } atom: 655 70P-HG2 G 2.348 ambi=2 { CG:28.631 } :: atom: 407 49V-H N 8.251 ambi=1 { N:122.677 } atom: 656 70P-HG3 G 2.041 ambi=2 { CG:28.631 } ::sumAvg: 4.5 atom: 427 51L-H N 8.421 ambi=1 { N:117.454 } atom: 409 49V-HA A 3.263 ambi=1 { CA:68.053 } ::sumAvg: 4.35 atom: 743 79N-HD21 D2 7.406 ambi=2 { ND2:108.666 } atom: 409 49V-HA A 3.263 ambi=1 { CA:68.053 } :: atom: 744 79N-HD22 D2 8.105 ambi=2 { ND2:108.666 } atom: 409 49V-HA A 3.263 ambi=1 { CA:68.053 } ::sumAvg: 4.195 atom: 427 51L-H N 8.421 ambi=1 { N:117.454 } atom: 411 49V-HB B 2.186 ambi=1 { CB:31.42 } ::sumAvg: 4.95 atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } :: atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } ::sumAvg: 4.88 atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } ::sumAvg: 4.565 atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } ::sumAvg: 4.335 atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } ::sumAvg: 4.335 atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } atom: 458 53R-HD2 D 3.176 ambi=2 { CD:43.53 } :: atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } atom: 459 53R-HD3 D 3.095 ambi=2 { CD:43.53 } ::sumAvg: 4.94 atom: 461 53R-HE E 7.137 ambi=1 { NE:84.234 } atom: 419 50V-HA A 3.386 ambi=1 { CA:66.826 } ::sumAvg: 4.63 atom: 427 51L-H N 8.421 ambi=1 { N:117.454 } atom: 444 52C-HB2 B 2.446 ambi=2 { CB:27.397 } :: atom: 427 51L-H N 8.421 ambi=1 { N:117.454 } atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } ::sumAvg: 4.92 atom: 427 51L-H N 8.421 ambi=1 { N:117.454 } atom: 463 54L-H N 8.942 ambi=1 { N:121.118 } ::sumAvg: 4.62 atom: 463 54L-H N 8.942 ambi=1 { N:121.118 } atom: 427 51L-H N 8.421 ambi=1 { N:117.454 } ::sumAvg: 4.62 atom: 448 53R-H N 8.542 ambi=1 { N:120.08 } atom: 429 51L-HA A 3.56 ambi=1 { CA:57.487 } ::sumAvg: 4.605 atom: 476 55L-H N 8.119 ambi=1 { N:118.269 } atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } :: atom: 476 55L-H N 8.119 ambi=1 { N:118.269 } atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } ::sumAvg: 4.88 atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } atom: 452 53R-HB2 B 1.742 ambi=2 { CB:29.79 } :: atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } atom: 453 53R-HB3 B 2.021 ambi=2 { CB:29.79 } ::sumAvg: 4.885 atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } :: atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } ::sumAvg: 4.835 atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } atom: 476 55L-H N 8.119 ambi=1 { N:118.269 } ::sumAvg: 4.785 atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } atom: 788 83F-HB2 B 3.515 ambi=2 { CB:38.116 } :: atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } atom: 789 83F-HB3 B 3.209 ambi=2 { CB:38.116 } ::sumAvg: 3.88 atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } atom: 790 83F-QD D 7.114 ambi=3 {attached_atom is not_assigned} ::sumAvg: 4.58 atom: 489 56E-H N 7.621 ambi=1 { N:116.708 } atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } ::sumAvg: 4.145 atom: 784 83F-H N 7.844 ambi=1 { N:121.118 } atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } ::sumAvg: 4.89 atom: 463 54L-H N 8.942 ambi=1 { N:121.118 } atom: 444 52C-HB2 B 2.446 ambi=2 { CB:27.397 } :: atom: 463 54L-H N 8.942 ambi=1 { N:121.118 } atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } ::sumAvg: 4.905 atom: 448 53R-H N 8.542 ambi=1 { N:120.08 } atom: 489 56E-H N 7.621 ambi=1 { N:116.708 } ::sumAvg: 4.75 atom: 489 56E-H N 7.621 ambi=1 { N:116.708 } atom: 448 53R-H N 8.542 ambi=1 { N:120.08 } ::sumAvg: 4.75 atom: 448 53R-H N 8.542 ambi=1 { N:120.08 } atom: 496 56E-HG2 G 2.245 ambi=2 { CG:35 } :: atom: 448 53R-H N 8.542 ambi=1 { N:120.08 } atom: 497 56E-HG3 G 2.315 ambi=2 { CG:35 } ::sumAvg: 4.935 atom: 461 53R-HE E 7.137 ambi=1 { NE:84.234 } atom: 452 53R-HB2 B 1.742 ambi=2 { CB:29.79 } :: atom: 461 53R-HE E 7.137 ambi=1 { NE:84.234 } atom: 453 53R-HB3 B 2.021 ambi=2 { CB:29.79 } ::sumAvg: 4.27 atom: 463 54L-H N 8.942 ambi=1 { N:121.118 } atom: 458 53R-HD2 D 3.176 ambi=2 { CD:43.53 } :: atom: 463 54L-H N 8.942 ambi=1 { N:121.118 } atom: 459 53R-HD3 D 3.095 ambi=2 { CD:43.53 } ::sumAvg: 4.91 atom: 476 55L-H N 8.119 ambi=1 { N:118.269 } atom: 493 56E-HB2 B 2.04 ambi=2 { CB:29.529 } :: atom: 476 55L-H N 8.119 ambi=1 { N:118.269 } atom: 494 56E-HB3 B 1.793 ambi=2 { CB:29.529 } ::sumAvg: 4.815 atom: 476 55L-H N 8.119 ambi=1 { N:118.269 } atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } :: atom: 476 55L-H N 8.119 ambi=1 { N:118.269 } atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } ::sumAvg: 4.98 atom: 476 55L-H N 8.119 ambi=1 { N:118.269 } atom: 572 63I-HG12 G1 1.602 ambi=2 { CG1:25.839 } :: atom: 476 55L-H N 8.119 ambi=1 { N:118.269 } atom: 573 63I-HG13 G1 1.821 ambi=2 { CG1:25.839 } ::sumAvg: 4.815 atom: 564 63I-H N 8.436 ambi=1 { N:121.79 } atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } :: atom: 564 63I-H N 8.436 ambi=1 { N:121.79 } atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } ::sumAvg: 4.825 atom: 556 62T-H N 8.327 ambi=1 { N:116.843 } atom: 483 55L-HG G 1.883 ambi=1 { CG:26.993 } ::sumAvg: 4.495 atom: 564 63I-H N 8.436 ambi=1 { N:121.79 } atom: 483 55L-HG G 1.883 ambi=1 { CG:26.993 } ::sumAvg: 4.405 atom: 793 84L-H N 8.494 ambi=1 { N:120.202 } atom: 484 55L-HD1 D1 0.935 ambi=2 { CD1:23.762 } :: atom: 793 84L-H N 8.494 ambi=1 { N:120.202 } atom: 485 55L-HD2 D2 0.848 ambi=2 { CD2:26.085 } ::sumAvg: 4.96 atom: 806 85R-H N 8.747 ambi=1 { N:122.767 } atom: 484 55L-HD1 D1 0.935 ambi=2 { CD1:23.762 } :: atom: 806 85R-H N 8.747 ambi=1 { N:122.767 } atom: 485 55L-HD2 D2 0.848 ambi=2 { CD2:26.085 } ::sumAvg: 4.925 atom: 514 58L-H N 7.722 ambi=1 { N:117.747 } atom: 491 56E-HA A 4.167 ambi=1 { CA:57.27 } ::sumAvg: 4.17 atom: 499 57R-H N 7.593 ambi=1 { N:117.239 } atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } ::sumAvg: 4.045 atom: 512 57R-HE E 7.264 ambi=1 { NE:84.118 } atom: 503 57R-HB2 B 2.072 ambi=2 { CB:29.153 } :: atom: 512 57R-HE E 7.264 ambi=1 { NE:84.118 } atom: 504 57R-HB3 B 1.813 ambi=2 { CB:29.153 } ::sumAvg: 3.205 atom: 514 58L-H N 7.722 ambi=1 { N:117.747 } atom: 529 59L-HA A 4.674 ambi=1 { CA:51.671 } ::sumAvg: 4.975 atom: 514 58L-H N 7.722 ambi=1 { N:117.747 } atom: 534 59L-HG G 1.402 ambi=1 { CG:26.194 } ::sumAvg: 4.91 atom: 514 58L-H N 7.722 ambi=1 { N:117.747 } atom: 548 60P-HD2 D 3.55 ambi=2 { CD:49.631 } :: atom: 514 58L-H N 7.722 ambi=1 { N:117.747 } atom: 549 60P-HD3 D 3.338 ambi=2 { CD:49.631 } ::sumAvg: 4.775 atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } :: atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } ::sumAvg: 4.86 atom: 1158 118N-HD21 D2 5.527 ambi=2 { ND2:108.194 } atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } :: atom: 1159 118N-HD22 D2 6.121 ambi=2 { ND2:108.194 } atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } :: atom: 1158 118N-HD21 D2 5.527 ambi=2 { ND2:108.194 } atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } :: atom: 1159 118N-HD22 D2 6.121 ambi=2 { ND2:108.194 } atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } ::sumAvg: 4.825 atom: 527 59L-H N 8.667 ambi=1 { N:119.714 } atom: 541 60P-HA A 4.468 ambi=1 { CA:63.386 } ::sumAvg: 4.735 atom: 551 61G-H N 10.087 ambi=1 { N:113.118 } atom: 560 62T-HB B 3.915 ambi=1 { CB:69.569 } ::sumAvg: 4.73 atom: 551 61G-H N 10.087 ambi=1 { N:113.118 } atom: 564 63I-H N 8.436 ambi=1 { N:121.79 } ::sumAvg: 3.815 atom: 564 63I-H N 8.436 ambi=1 { N:121.79 } atom: 553 61G-HA2 A 3.793 ambi=2 { CA:44.892 } :: atom: 564 63I-H N 8.436 ambi=1 { N:121.79 } atom: 554 61G-HA3 A 4.192 ambi=2 { CA:44.892 } ::sumAvg: 4.065 atom: 577 64E-H N 9.239 ambi=1 { N:127.774 } atom: 561 62T-HG2 G2 1.107 ambi=1 { CG2:22.105 } ::sumAvg: 4.79 atom: 577 64E-H N 9.239 ambi=1 { N:127.774 } atom: 591 65K-QB B 1.544 ambi=2 { CB:33.775 } ::sumAvg: 4.86 atom: 577 64E-H N 9.239 ambi=1 { N:127.774 } atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } ::sumAvg: 4.43 atom: 587 65K-H N 7.215 ambi=1 { N:119.714 } atom: 605 66V-HA A 4.213 ambi=1 { CA:59.631 } ::sumAvg: 4.85 atom: 587 65K-H N 7.215 ambi=1 { N:119.714 } atom: 607 66V-HB B 1.748 ambi=1 { CB:35.643 } ::sumAvg: 4.87 atom: 613 67Y-H N 9.599 ambi=1 { N:127.286 } atom: 594 65K-QG G 0.981 ambi=2 { CG:23.762 } ::sumAvg: 4.985 atom: 603 66V-H N 7.962 ambi=1 { N:123.245 } atom: 600 65K-HE2 E 2.561 ambi=2 { CE:41.749 } :: atom: 603 66V-H N 7.962 ambi=1 { N:123.245 } atom: 601 65K-HE3 E 2.701 ambi=2 { CE:41.749 } ::sumAvg: 4.485 atom: 603 66V-H N 7.962 ambi=1 { N:123.245 } atom: 615 67Y-HA A 4.823 ambi=1 { CA:55.333 } ::sumAvg: 4.94 atom: 603 66V-H N 7.962 ambi=1 { N:123.245 } atom: 636 68P-QD D 3.914 ambi=2 { CD:51.161 } ::sumAvg: 4.415 atom: 736 79N-H N 7.836 ambi=1 { N:119.43 } atom: 608 66V-HG1 G1 0.696 ambi=2 { CG1:19.303 } :: atom: 736 79N-H N 7.836 ambi=1 { N:119.43 } atom: 609 66V-HG2 G2 0.773 ambi=2 { CG2:21.327 } ::sumAvg: 4.835 atom: 613 67Y-H N 9.599 ambi=1 { N:127.286 } atom: 622 67Y-QE E 6.787 ambi=3 { CE1:117.59 CE2:117.82 } ::sumAvg: 4.53 atom: 613 67Y-H N 9.599 ambi=1 { N:127.286 } atom: 736 79N-H N 7.836 ambi=1 { N:119.43 } ::sumAvg: 4.715 atom: 736 79N-H N 7.836 ambi=1 { N:119.43 } atom: 613 67Y-H N 9.599 ambi=1 { N:127.286 } ::sumAvg: 4.715 atom: 613 67Y-H N 9.599 ambi=1 { N:127.286 } atom: 738 79N-HA A 4.547 ambi=1 { CA:55.177 } ::sumAvg: 3.95 atom: 743 79N-HD21 D2 7.406 ambi=2 { ND2:108.666 } atom: 615 67Y-HA A 4.823 ambi=1 { CA:55.333 } :: atom: 744 79N-HD22 D2 8.105 ambi=2 { ND2:108.666 } atom: 615 67Y-HA A 4.823 ambi=1 { CA:55.333 } ::sumAvg: 4.465 atom: 639 69E-H N 8.262 ambi=1 { N:117.576 } atom: 620 67Y-QD D 7.201 ambi=3 { QCD:133.904 } ::sumAvg: 4.945 atom: 743 79N-HD21 D2 7.406 ambi=2 { ND2:108.666 } atom: 629 68P-HA A 4.185 ambi=1 { CA:63.938 } :: atom: 744 79N-HD22 D2 8.105 ambi=2 { ND2:108.666 } atom: 629 68P-HA A 4.185 ambi=1 { CA:63.938 } ::sumAvg: 4.93 atom: 639 69E-H N 8.262 ambi=1 { N:117.576 } atom: 650 70P-HA A 4.484 ambi=1 { CA:62.987 } ::sumAvg: 4.555 atom: 709 76C-H N 7.563 ambi=1 { N:117.772 } atom: 650 70P-HA A 4.484 ambi=1 { CA:62.987 } ::sumAvg: 4.455 atom: 743 79N-HD21 D2 7.406 ambi=2 { ND2:108.666 } atom: 650 70P-HA A 4.484 ambi=1 { CA:62.987 } :: atom: 744 79N-HD22 D2 8.105 ambi=2 { ND2:108.666 } atom: 650 70P-HA A 4.484 ambi=1 { CA:62.987 } ::sumAvg: 4.425 atom: 660 71R-H N 9.095 ambi=1 { N:121.854 } atom: 679 72S-HB2 B 3.775 ambi=2 { CB:66.71 } :: atom: 660 71R-H N 9.095 ambi=1 { N:121.854 } atom: 680 72S-HB3 B 4.137 ambi=2 { CB:66.71 } ::sumAvg: 4.765 atom: 673 71R-HE E 7.255 ambi=1 { NE:85.036 } atom: 662 71R-HA A 4.484 ambi=1 { CA:55.005 } ::sumAvg: 4.81 atom: 675 72S-H N 7.419 ambi=1 { N:111.595 } atom: 670 71R-HD2 D 3.221 ambi=2 { CD:42.957 } :: atom: 675 72S-H N 7.419 ambi=1 { N:111.595 } atom: 671 71R-HD3 D 3.186 ambi=2 { CD:42.957 } ::sumAvg: 4.705 atom: 675 72S-H N 7.419 ambi=1 { N:111.595 } atom: 682 73E-H N 9.17 ambi=1 { N:123.839 } ::sumAvg: 4.49 atom: 682 73E-H N 9.17 ambi=1 { N:123.839 } atom: 675 72S-H N 7.419 ambi=1 { N:111.595 } ::sumAvg: 4.49 atom: 692 74S-H N 8.345 ambi=1 { N:111.982 } atom: 677 72S-HA A 4.723 ambi=1 { CA:55.769 } ::sumAvg: 4.47 atom: 699 75E-H N 7.396 ambi=1 { N:122.828 } atom: 677 72S-HA A 4.723 ambi=1 { CA:55.769 } ::sumAvg: 4.925 atom: 682 73E-H N 9.17 ambi=1 { N:123.839 } atom: 699 75E-H N 7.396 ambi=1 { N:122.828 } ::sumAvg: 4.395 atom: 699 75E-H N 7.396 ambi=1 { N:122.828 } atom: 682 73E-H N 9.17 ambi=1 { N:123.839 } ::sumAvg: 4.395 atom: 996 103Q-HE21 E2 7.709 ambi=2 { NE2:111.471 } atom: 689 73E-QG G 1.8395 ambi=2 { CG:35.907 } :: atom: 997 103Q-HE22 E2 6.896 ambi=2 { NE2:111.471 } atom: 689 73E-QG G 1.8395 ambi=2 { CG:35.907 } ::sumAvg: 4.245 atom: 692 74S-H N 8.345 ambi=1 { N:111.982 } atom: 709 76C-H N 7.563 ambi=1 { N:117.772 } ::sumAvg: 4.545 atom: 729 78S-H N 8.071 ambi=1 { N:113.93 } atom: 697 74S-QB B 3.7805 ambi=2 { CB:62.014 } ::sumAvg: 4.96 atom: 699 75E-H N 7.396 ambi=1 { N:122.828 } atom: 729 78S-H N 8.071 ambi=1 { N:113.93 } ::sumAvg: 4.64 atom: 729 78S-H N 8.071 ambi=1 { N:113.93 } atom: 699 75E-H N 7.396 ambi=1 { N:122.828 } ::sumAvg: 4.64 atom: 716 77L-H N 8.508 ambi=1 { N:117.705 } atom: 701 75E-HA A 3.585 ambi=1 { CA:59.353 } ::sumAvg: 4.67 atom: 744 79N-HD22 D2 8.105 ambi=2 { ND2:108.666 } atom: 709 76C-H N 7.563 ambi=1 { N:117.772 } ::sumAvg: 4.87 atom: 709 76C-H N 7.563 ambi=1 { N:117.772 } atom: 980 102Y-QE E 6.869 ambi=3 { CE1:117.785 CE2:117.91 } ::sumAvg: 4.955 atom: 729 78S-H N 8.071 ambi=1 { N:113.93 } atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } :: atom: 729 78S-H N 8.071 ambi=1 { N:113.93 } atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } ::sumAvg: 4.905 atom: 716 77L-H N 8.508 ambi=1 { N:117.705 } atom: 736 79N-H N 7.836 ambi=1 { N:119.43 } ::sumAvg: 4.405 atom: 716 77L-H N 8.508 ambi=1 { N:117.705 } atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } :: atom: 716 77L-H N 8.508 ambi=1 { N:117.705 } atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } ::sumAvg: 4.92 atom: 716 77L-H N 8.508 ambi=1 { N:117.705 } atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } ::sumAvg: 4.935 atom: 716 77L-H N 8.508 ambi=1 { N:117.705 } atom: 978 102Y-QD D 7.224 ambi=3 { QCD:133.29 } ::sumAvg: 4.89 atom: 736 79N-H N 7.836 ambi=1 { N:119.43 } atom: 718 77L-HA A 3.838 ambi=1 { CA:57.636 } ::sumAvg: 4.56 atom: 759 81R-H N 9.063 ambi=1 { N:117.402 } atom: 720 77L-HB2 B 1.191 ambi=2 { CB:41.207 } :: atom: 759 81R-H N 9.063 ambi=1 { N:117.402 } atom: 721 77L-HB3 B 1.711 ambi=2 { CB:41.207 } ::sumAvg: 4.85 atom: 935 98A-H N 9.208 ambi=1 { N:128.568 } atom: 724 77L-HD1 D1 0.689 ambi=2 { CD1:25.706 } :: atom: 935 98A-H N 9.208 ambi=1 { N:128.568 } atom: 725 77L-HD2 D2 0.572 ambi=2 { CD2:22.678 } ::sumAvg: 4.785 atom: 729 78S-H N 8.071 ambi=1 { N:113.93 } atom: 740 79N-HB2 B 2.843 ambi=2 { CB:37.819 } :: atom: 729 78S-H N 8.071 ambi=1 { N:113.93 } atom: 741 79N-HB3 B 3.884 ambi=2 { CB:37.819 } ::sumAvg: 4.935 atom: 729 78S-H N 8.071 ambi=1 { N:113.93 } atom: 759 81R-H N 9.063 ambi=1 { N:117.402 } ::sumAvg: 4.645 atom: 759 81R-H N 9.063 ambi=1 { N:117.402 } atom: 729 78S-H N 8.071 ambi=1 { N:113.93 } ::sumAvg: 4.645 atom: 729 78S-H N 8.071 ambi=1 { N:113.93 } atom: 766 81R-QG G 1.58 ambi=2 { CG:29.663 } ::sumAvg: 4.895 atom: 772 81R-HE E 7.183 ambi=1 { NE:84.31 } atom: 731 78S-HA A 4.166 ambi=1 { CA:62.179 } ::sumAvg: 4.15 atom: 736 79N-H N 7.836 ambi=1 { N:119.43 } atom: 774 82E-H N 8.445 ambi=1 { N:124.127 } ::sumAvg: 4.86 atom: 759 81R-H N 9.063 ambi=1 { N:117.402 } atom: 740 79N-HB2 B 2.843 ambi=2 { CB:37.819 } :: atom: 759 81R-H N 9.063 ambi=1 { N:117.402 } atom: 741 79N-HB3 B 3.884 ambi=2 { CB:37.819 } ::sumAvg: 4.99 atom: 743 79N-HD21 D2 7.406 ambi=2 { ND2:108.666 } atom: 746 80I-H N 8.373 ambi=1 { N:119.469 } ::sumAvg: 4.665 atom: 743 79N-HD21 D2 7.406 ambi=2 { ND2:108.666 } atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } :: atom: 743 79N-HD21 D2 7.406 ambi=2 { ND2:108.666 } atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } :: atom: 744 79N-HD22 D2 8.105 ambi=2 { ND2:108.666 } atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } :: atom: 744 79N-HD22 D2 8.105 ambi=2 { ND2:108.666 } atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } ::sumAvg: 4.935 atom: 784 83F-H N 7.844 ambi=1 { N:121.118 } atom: 746 80I-H N 8.373 ambi=1 { N:119.469 } ::sumAvg: 4.89 atom: 774 82E-H N 8.445 ambi=1 { N:124.127 } atom: 748 80I-HA A 3.636 ambi=1 { CA:66.48 } ::sumAvg: 4.53 atom: 935 98A-H N 9.208 ambi=1 { N:128.568 } atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } ::sumAvg: 4.895 atom: 793 84L-H N 8.494 ambi=1 { N:120.202 } atom: 751 80I-HG2 G2 1.268 ambi=1 { CG2:19.03 } ::sumAvg: 3.84 atom: 759 81R-H N 9.063 ambi=1 { N:117.402 } atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } ::sumAvg: 4.665 atom: 759 81R-H N 9.063 ambi=1 { N:117.402 } atom: 793 84L-H N 8.494 ambi=1 { N:120.202 } ::sumAvg: 4.685 atom: 793 84L-H N 8.494 ambi=1 { N:120.202 } atom: 759 81R-H N 9.063 ambi=1 { N:117.402 } ::sumAvg: 4.685 atom: 772 81R-HE E 7.183 ambi=1 { NE:84.31 } atom: 761 81R-HA A 3.992 ambi=1 { CA:60.412 } ::sumAvg: 4.09 atom: 784 83F-H N 7.844 ambi=1 { N:121.118 } atom: 761 81R-HA A 3.992 ambi=1 { CA:60.412 } ::sumAvg: 4.425 atom: 772 81R-HE E 7.183 ambi=1 { NE:84.31 } atom: 766 81R-QG G 1.58 ambi=2 { CG:29.663 } ::sumAvg: 2.755 atom: 774 82E-H N 8.445 ambi=1 { N:124.127 } atom: 766 81R-QG G 1.58 ambi=2 { CG:29.663 } ::sumAvg: 3.585 atom: 935 98A-H N 9.208 ambi=1 { N:128.568 } atom: 769 81R-HD2 D 3.201 ambi=2 { CD:43.311 } :: atom: 935 98A-H N 9.208 ambi=1 { N:128.568 } atom: 770 81R-HD3 D 3.13 ambi=2 { CD:43.311 } ::sumAvg: 4.82 atom: 772 81R-HE E 7.183 ambi=1 { NE:84.31 } atom: 801 84L-HD1 D1 0.748 ambi=2 { CD1:25.866 } :: atom: 772 81R-HE E 7.183 ambi=1 { NE:84.31 } atom: 802 84L-HD2 D2 0.136 ambi=2 { CD2:20.83 } ::sumAvg: 4.915 atom: 772 81R-HE E 7.183 ambi=1 { NE:84.31 } atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } ::sumAvg: 4.615 atom: 793 84L-H N 8.494 ambi=1 { N:120.202 } atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } ::sumAvg: 4.785 atom: 806 85R-H N 8.747 ambi=1 { N:122.767 } atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } ::sumAvg: 4.795 atom: 784 83F-H N 7.844 ambi=1 { N:121.118 } atom: 821 86G-H N 8.558 ambi=1 { N:108.05 } ::sumAvg: 4.9 atom: 806 85R-H N 8.747 ambi=1 { N:122.767 } atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } ::sumAvg: 4.42 atom: 793 84L-H N 8.494 ambi=1 { N:120.202 } atom: 810 85R-QB B 1.946 ambi=2 { CB:29.169 } ::sumAvg: 4.39 atom: 928 97D-H N 9.205 ambi=1 { N:119.925 } atom: 801 84L-HD1 D1 0.748 ambi=2 { CD1:25.866 } :: atom: 928 97D-H N 9.205 ambi=1 { N:119.925 } atom: 802 84L-HD2 D2 0.136 ambi=2 { CD2:20.83 } ::sumAvg: 4.49 atom: 806 85R-H N 8.747 ambi=1 { N:122.767 } atom: 816 85R-HD2 D 3.035 ambi=2 { CD:42.242 } :: atom: 806 85R-H N 8.747 ambi=1 { N:122.767 } atom: 817 85R-HD3 D 3.333 ambi=2 { CD:42.242 } ::sumAvg: 4.275 atom: 806 85R-H N 8.747 ambi=1 { N:122.767 } atom: 819 85R-HE E 7.982 ambi=1 { NE:81.892 } ::sumAvg: 4.745 atom: 819 85R-HE E 7.982 ambi=1 { NE:81.892 } atom: 806 85R-H N 8.747 ambi=1 { N:122.767 } ::sumAvg: 4.745 atom: 834 88G-H N 7.858 ambi=1 { N:106.363 } atom: 806 85R-H N 8.747 ambi=1 { N:122.767 } ::sumAvg: 4.67 atom: 819 85R-HE E 7.982 ambi=1 { NE:81.892 } atom: 808 85R-HA A 3.932 ambi=1 { CA:58.863 } ::sumAvg: 3.915 atom: 821 86G-H N 8.558 ambi=1 { N:108.05 } atom: 816 85R-HD2 D 3.035 ambi=2 { CD:42.242 } :: atom: 821 86G-H N 8.558 ambi=1 { N:108.05 } atom: 817 85R-HD3 D 3.333 ambi=2 { CD:42.242 } ::sumAvg: 4.61 atom: 839 89A-H N 7.957 ambi=1 { N:121.484 } atom: 821 86G-H N 8.558 ambi=1 { N:108.05 } ::sumAvg: 4.665 atom: 826 87C-H N 8.304 ambi=1 { N:120.507 } atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } ::sumAvg: 4.615 atom: 865 92R-H N 7.962 ambi=1 { N:116.66 } atom: 828 87C-HA A 3.756 ambi=1 { CA:63.809 } ::sumAvg: 4.225 atom: 880 93L-H N 7.092 ambi=1 { N:119.225 } atom: 828 87C-HA A 3.756 ambi=1 { CA:63.809 } ::sumAvg: 4.665 atom: 852 91L-H N 7.746 ambi=1 { N:120.202 } atom: 830 87C-HB2 B 2.268 ambi=2 { CB:26.744 } :: atom: 852 91L-H N 7.746 ambi=1 { N:120.202 } atom: 831 87C-HB3 B 2.462 ambi=2 { CB:26.744 } ::sumAvg: 4.955 atom: 839 89A-H N 7.957 ambi=1 { N:121.484 } atom: 908 95T-HG2 G2 0.975 ambi=1 { CG2:21.165 } ::sumAvg: 4.96 atom: 865 92R-H N 7.962 ambi=1 { N:116.66 } atom: 841 89A-HA A 4.241 ambi=1 { CA:53.633 } ::sumAvg: 4.51 atom: 845 90S-H N 7.722 ambi=1 { N:110.554 } atom: 859 91L-HG G 1.489 ambi=1 { CG:26.381 } ::sumAvg: 4.815 atom: 865 92R-H N 7.962 ambi=1 { N:116.66 } atom: 847 90S-HA A 4.464 ambi=1 { CA:59.752 } ::sumAvg: 4.675 atom: 1187 121T-H N 7.689 ambi=1 { N:109.088 } atom: 860 91L-HD1 D1 0.744 ambi=2 { CD1:26.349 } :: atom: 1187 121T-H N 7.689 ambi=1 { N:109.088 } atom: 861 91L-HD2 D2 0.816 ambi=2 { CD2:22.636 } ::sumAvg: 4.375 atom: 878 92R-HE E 7.107 ambi=1 { NE:84.557 } atom: 867 92R-HA A 4.184 ambi=1 { CA:56.144 } ::sumAvg: 3.515 atom: 878 92R-HE E 7.107 ambi=1 { NE:84.557 } atom: 873 92R-QG G 1.509 ambi=2 { CG:26.756 } ::sumAvg: 2.68 atom: 880 93L-H N 7.092 ambi=1 { N:119.225 } atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } ::sumAvg: 4.915 atom: 880 93L-H N 7.092 ambi=1 { N:119.225 } atom: 1182 120V-HG1 G1 1.031 ambi=2 { CG1:21.063 } :: atom: 880 93L-H N 7.092 ambi=1 { N:119.225 } atom: 1183 120V-HG2 G2 1.121 ambi=2 { CG2:21.166 } ::sumAvg: 4.75 atom: 903 95T-H N 8.398 ambi=1 { N:115.988 } atom: 888 93L-HD1 D1 0.829 ambi=2 { CD1:25.264 } :: atom: 903 95T-H N 8.398 ambi=1 { N:115.988 } atom: 889 93L-HD2 D2 0.755 ambi=2 { CD2:24.827 } ::sumAvg: 4.055 atom: 893 94E-H N 8.538 ambi=1 { N:123.988 } atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } ::sumAvg: 4.69 atom: 911 96F-H N 7.393 ambi=1 { N:117.515 } atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } ::sumAvg: 4.955 atom: 1070 110V-H N 6.788 ambi=1 { N:121.057 } atom: 915 96F-HB2 B 3.514 ambi=2 { CB:38.608 } :: atom: 1070 110V-H N 6.788 ambi=1 { N:121.057 } atom: 916 96F-HB3 B 2.93 ambi=2 { CB:38.608 } ::sumAvg: 3.835 atom: 1100 113S-H N 7.578 ambi=1 { N:117.745 } atom: 915 96F-HB2 B 3.514 ambi=2 { CB:38.608 } :: atom: 1100 113S-H N 7.578 ambi=1 { N:117.745 } atom: 916 96F-HB3 B 2.93 ambi=2 { CB:38.608 } ::sumAvg: 4.745 atom: 1070 110V-H N 6.788 ambi=1 { N:121.057 } atom: 918 96F-QD D 7.273 ambi=3 { QCD:133.905 } ::sumAvg: 4.625 atom: 1107 114L-H N 7.972 ambi=1 { N:121.403 } atom: 918 96F-QD D 7.273 ambi=3 { QCD:133.905 } ::sumAvg: 4.85 atom: 1107 114L-H N 7.972 ambi=1 { N:121.403 } atom: 920 96F-QE E 7.246 ambi=3 { CE1:130.774 CE2:130.942 } ::sumAvg: 4.785 atom: 928 97D-H N 9.205 ambi=1 { N:119.925 } atom: 1058 109K-HB2 B 1.936 ambi=2 { CB:32.56 } :: atom: 928 97D-H N 9.205 ambi=1 { N:119.925 } atom: 1059 109K-HB3 B 1.865 ambi=2 { CB:32.56 } ::sumAvg: 4.33 atom: 928 97D-H N 9.205 ambi=1 { N:119.925 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 928 97D-H N 9.205 ambi=1 { N:119.925 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 4.51 atom: 951 100D-H N 8.223 ambi=1 { N:121.301 } atom: 930 97D-HA A 4.844 ambi=1 { CA:53.201 } ::sumAvg: 4.79 atom: 958 101L-H N 6.969 ambi=1 { N:115.787 } atom: 932 97D-HB2 B 2.791 ambi=2 { CB:43.473 } :: atom: 958 101L-H N 6.969 ambi=1 { N:115.787 } atom: 933 97D-HB3 B 2.605 ambi=2 { CB:43.473 } ::sumAvg: 4.97 atom: 935 98A-H N 9.208 ambi=1 { N:128.568 } atom: 951 100D-H N 8.223 ambi=1 { N:121.301 } ::sumAvg: 4.505 atom: 948 99N-HD21 D2 7.825 ambi=2 { ND2:112.684 } atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } :: atom: 949 99N-HD22 D2 6.761 ambi=2 { ND2:112.684 } atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } ::sumAvg: 4.325 atom: 996 103Q-HE21 E2 7.709 ambi=2 { NE2:111.471 } atom: 943 99N-HA A 4.557 ambi=1 { CA:56.072 } :: atom: 997 103Q-HE22 E2 6.896 ambi=2 { NE2:111.471 } atom: 943 99N-HA A 4.557 ambi=1 { CA:56.072 } ::sumAvg: 4.35 atom: 986 103Q-H N 7.892 ambi=1 { N:110.722 } atom: 945 99N-HB2 B 2.841 ambi=2 { CB:38.262 } :: atom: 986 103Q-H N 7.892 ambi=1 { N:110.722 } atom: 946 99N-HB3 B 2.723 ambi=2 { CB:38.262 } ::sumAvg: 4.445 atom: 948 99N-HD21 D2 7.825 ambi=2 { ND2:112.684 } atom: 993 103Q-HG2 G 2.643 ambi=2 { CG:33.356 } :: atom: 948 99N-HD21 D2 7.825 ambi=2 { ND2:112.684 } atom: 994 103Q-HG3 G 2.517 ambi=2 { CG:33.356 } :: atom: 949 99N-HD22 D2 6.761 ambi=2 { ND2:112.684 } atom: 993 103Q-HG2 G 2.643 ambi=2 { CG:33.356 } :: atom: 949 99N-HD22 D2 6.761 ambi=2 { ND2:112.684 } atom: 994 103Q-HG3 G 2.517 ambi=2 { CG:33.356 } ::sumAvg: 4.73 atom: 951 100D-H N 8.223 ambi=1 { N:121.301 } atom: 1008 105Q-HB2 B 2.077 ambi=2 { CB:29.982 } :: atom: 951 100D-H N 8.223 ambi=1 { N:121.301 } atom: 1009 105Q-HB3 B 1.819 ambi=2 { CB:29.982 } ::sumAvg: 4.605 atom: 951 100D-H N 8.223 ambi=1 { N:121.301 } atom: 1012 105Q-QG G 2.2815 ambi=2 { CG:33.506 } ::sumAvg: 4.945 atom: 999 104G-H N 7.474 ambi=1 { N:107.956 } atom: 953 100D-HA A 4.351 ambi=1 { CA:57.815 } ::sumAvg: 4.5 atom: 958 101L-H N 6.969 ambi=1 { N:115.787 } atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } :: atom: 958 101L-H N 6.969 ambi=1 { N:115.787 } atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } ::sumAvg: 4.84 atom: 958 101L-H N 6.969 ambi=1 { N:115.787 } atom: 999 104G-H N 7.474 ambi=1 { N:107.956 } ::sumAvg: 4.545 atom: 999 104G-H N 7.474 ambi=1 { N:107.956 } atom: 958 101L-H N 6.969 ambi=1 { N:115.787 } ::sumAvg: 4.545 atom: 958 101L-H N 6.969 ambi=1 { N:115.787 } atom: 1004 105Q-H N 8.086 ambi=1 { N:117.34 } ::sumAvg: 4.96 atom: 1004 105Q-H N 8.086 ambi=1 { N:117.34 } atom: 958 101L-H N 6.969 ambi=1 { N:115.787 } ::sumAvg: 4.96 atom: 1004 105Q-H N 8.086 ambi=1 { N:117.34 } atom: 960 101L-HA A 4.492 ambi=1 { CA:56.477 } ::sumAvg: 4.415 atom: 999 104G-H N 7.474 ambi=1 { N:107.956 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } :: atom: 999 104G-H N 7.474 ambi=1 { N:107.956 } atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } ::sumAvg: 4.565 atom: 971 102Y-H N 8.477 ambi=1 { N:119.103 } atom: 993 103Q-HG2 G 2.643 ambi=2 { CG:33.356 } :: atom: 971 102Y-H N 8.477 ambi=1 { N:119.103 } atom: 994 103Q-HG3 G 2.517 ambi=2 { CG:33.356 } ::sumAvg: 4.655 atom: 971 102Y-H N 8.477 ambi=1 { N:119.103 } atom: 999 104G-H N 7.474 ambi=1 { N:107.956 } ::sumAvg: 3.815 atom: 971 102Y-H N 8.477 ambi=1 { N:119.103 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 971 102Y-H N 8.477 ambi=1 { N:119.103 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 4.925 atom: 999 104G-H N 7.474 ambi=1 { N:107.956 } atom: 973 102Y-HA A 4.046 ambi=1 { CA:62.539 } ::sumAvg: 4.12 atom: 996 103Q-HE21 E2 7.709 ambi=2 { NE2:111.471 } atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } :: atom: 997 103Q-HE22 E2 6.896 ambi=2 { NE2:111.471 } atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } :: atom: 996 103Q-HE21 E2 7.709 ambi=2 { NE2:111.471 } atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } :: atom: 997 103Q-HE22 E2 6.896 ambi=2 { NE2:111.471 } atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } ::sumAvg: 3.575 atom: 999 104G-H N 7.474 ambi=1 { N:107.956 } atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } :: atom: 999 104G-H N 7.474 ambi=1 { N:107.956 } atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } ::sumAvg: 4.695 atom: 986 103Q-H N 7.892 ambi=1 { N:110.722 } atom: 997 103Q-HE22 E2 6.896 ambi=2 { NE2:111.471 } ::sumAvg: 4.005 atom: 997 103Q-HE22 E2 6.896 ambi=2 { NE2:111.471 } atom: 986 103Q-H N 7.892 ambi=1 { N:110.722 } ::sumAvg: 4.005 atom: 986 103Q-H N 7.892 ambi=1 { N:110.722 } atom: 1012 105Q-QG G 2.2815 ambi=2 { CG:33.506 } ::sumAvg: 3.89 atom: 1004 105Q-H N 8.086 ambi=1 { N:117.34 } atom: 988 103Q-HA A 4.274 ambi=1 { CA:54.96 } ::sumAvg: 4.93 atom: 1014 105Q-HE21 E2 7.427 ambi=2 { NE2:111.762 } atom: 993 103Q-HG2 G 2.643 ambi=2 { CG:33.356 } :: atom: 1015 105Q-HE22 E2 6.848 ambi=2 { NE2:111.762 } atom: 993 103Q-HG2 G 2.643 ambi=2 { CG:33.356 } :: atom: 1014 105Q-HE21 E2 7.427 ambi=2 { NE2:111.762 } atom: 994 103Q-HG3 G 2.517 ambi=2 { CG:33.356 } :: atom: 1015 105Q-HE22 E2 6.848 ambi=2 { NE2:111.762 } atom: 994 103Q-HG3 G 2.517 ambi=2 { CG:33.356 } ::sumAvg: 4.82 atom: 999 104G-H N 7.474 ambi=1 { N:107.956 } atom: 1012 105Q-QG G 2.2815 ambi=2 { CG:33.506 } ::sumAvg: 3.905 atom: 1017 106N-H N 8.634 ambi=1 { N:115.988 } atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } :: atom: 1017 106N-H N 8.634 ambi=1 { N:115.988 } atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } ::sumAvg: 4.475 atom: 1027 107F-H N 8.954 ambi=1 { N:121.79 } atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } :: atom: 1027 107F-H N 8.954 ambi=1 { N:121.79 } atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } ::sumAvg: 4.95 atom: 1004 105Q-H N 8.086 ambi=1 { N:117.34 } atom: 1014 105Q-HE21 E2 7.427 ambi=2 { NE2:111.762 } :: atom: 1004 105Q-H N 8.086 ambi=1 { N:117.34 } atom: 1015 105Q-HE22 E2 6.848 ambi=2 { NE2:111.762 } ::sumAvg: 4.34 atom: 1014 105Q-HE21 E2 7.427 ambi=2 { NE2:111.762 } atom: 1004 105Q-H N 8.086 ambi=1 { N:117.34 } :: atom: 1015 105Q-HE22 E2 6.848 ambi=2 { NE2:111.762 } atom: 1004 105Q-H N 8.086 ambi=1 { N:117.34 } ::sumAvg: 4.34 atom: 1014 105Q-HE21 E2 7.427 ambi=2 { NE2:111.762 } atom: 1017 106N-H N 8.634 ambi=1 { N:115.988 } :: atom: 1015 105Q-HE22 E2 6.848 ambi=2 { NE2:111.762 } atom: 1017 106N-H N 8.634 ambi=1 { N:115.988 } ::sumAvg: 4.85 atom: 1017 106N-H N 8.634 ambi=1 { N:115.988 } atom: 1014 105Q-HE21 E2 7.427 ambi=2 { NE2:111.762 } :: atom: 1017 106N-H N 8.634 ambi=1 { N:115.988 } atom: 1015 105Q-HE22 E2 6.848 ambi=2 { NE2:111.762 } ::sumAvg: 4.85 atom: 1017 106N-H N 8.634 ambi=1 { N:115.988 } atom: 1024 106N-HD21 D2 7.808 ambi=2 { ND2:113.685 } :: atom: 1017 106N-H N 8.634 ambi=1 { N:115.988 } atom: 1025 106N-HD22 D2 6.938 ambi=2 { ND2:113.685 } ::sumAvg: 3.84 atom: 1024 106N-HD21 D2 7.808 ambi=2 { ND2:113.685 } atom: 1017 106N-H N 8.634 ambi=1 { N:115.988 } :: atom: 1025 106N-HD22 D2 6.938 ambi=2 { ND2:113.685 } atom: 1017 106N-H N 8.634 ambi=1 { N:115.988 } ::sumAvg: 3.84 atom: 1017 106N-H N 8.634 ambi=1 { N:115.988 } atom: 1029 107F-HA A 4.006 ambi=1 { CA:61.428 } ::sumAvg: 4.62 atom: 1017 106N-H N 8.634 ambi=1 { N:115.988 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 1017 106N-H N 8.634 ambi=1 { N:115.988 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 4.695 atom: 1051 108N-HD21 D2 7.652 ambi=2 { ND2:113.148 } atom: 1019 106N-HA A 4.65 ambi=1 { CA:53.028 } :: atom: 1052 108N-HD22 D2 6.972 ambi=2 { ND2:113.148 } atom: 1019 106N-HA A 4.65 ambi=1 { CA:53.028 } ::sumAvg: 4.055 atom: 1054 109K-H N 7.476 ambi=1 { N:119.897 } atom: 1019 106N-HA A 4.65 ambi=1 { CA:53.028 } ::sumAvg: 4.34 atom: 1070 110V-H N 6.788 ambi=1 { N:121.057 } atom: 1021 106N-HB2 B 2.902 ambi=2 { CB:37.181 } :: atom: 1070 110V-H N 6.788 ambi=1 { N:121.057 } atom: 1022 106N-HB3 B 2.722 ambi=2 { CB:37.181 } ::sumAvg: 4.97 atom: 1027 107F-H N 8.954 ambi=1 { N:121.79 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 1027 107F-H N 8.954 ambi=1 { N:121.79 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 4.635 atom: 1080 111L-H N 7.699 ambi=1 { N:118.614 } atom: 1034 107F-QD D 7.189 ambi=3 { QCD:131.799 } ::sumAvg: 4.075 atom: 1080 111L-H N 7.699 ambi=1 { N:118.614 } atom: 1036 107F-QE E 6.986 ambi=3 { QCE:129.914 } ::sumAvg: 4.345 atom: 1044 108N-H N 8.838 ambi=1 { N:116.351 } atom: 1061 109K-HG2 G 1.48 ambi=2 { CG:24.99 } :: atom: 1044 108N-H N 8.838 ambi=1 { N:116.351 } atom: 1062 109K-HG3 G 1.549 ambi=2 { CG:24.99 } ::sumAvg: 4.665 atom: 1044 108N-H N 8.838 ambi=1 { N:116.351 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 1044 108N-H N 8.838 ambi=1 { N:116.351 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 4.835 atom: 1044 108N-H N 8.838 ambi=1 { N:116.351 } atom: 1080 111L-H N 7.699 ambi=1 { N:118.614 } ::sumAvg: 4.81 atom: 1080 111L-H N 7.699 ambi=1 { N:118.614 } atom: 1044 108N-H N 8.838 ambi=1 { N:116.351 } ::sumAvg: 4.81 atom: 1093 112S-H N 8.033 ambi=1 { N:112.263 } atom: 1048 108N-HB2 B 2.794 ambi=2 { CB:36.992 } :: atom: 1093 112S-H N 8.033 ambi=1 { N:112.263 } atom: 1049 108N-HB3 B 2.726 ambi=2 { CB:36.992 } ::sumAvg: 4.91 atom: 1052 108N-HD22 D2 6.972 ambi=2 { ND2:113.148 } atom: 1054 109K-H N 7.476 ambi=1 { N:119.897 } ::sumAvg: 3.715 atom: 1051 108N-HD21 D2 7.652 ambi=2 { ND2:113.148 } atom: 1056 109K-HA A 4.052 ambi=1 { CA:58.546 } :: atom: 1052 108N-HD22 D2 6.972 ambi=2 { ND2:113.148 } atom: 1056 109K-HA A 4.052 ambi=1 { CA:58.546 } ::sumAvg: 4.89 atom: 1051 108N-HD21 D2 7.652 ambi=2 { ND2:113.148 } atom: 1064 109K-QD D 1.7645 ambi=2 { CD:28.931 } :: atom: 1052 108N-HD22 D2 6.972 ambi=2 { ND2:113.148 } atom: 1064 109K-QD D 1.7645 ambi=2 { CD:28.931 } ::sumAvg: 4.745 atom: 1054 109K-H N 7.476 ambi=1 { N:119.897 } atom: 1093 112S-H N 8.033 ambi=1 { N:112.263 } ::sumAvg: 4.79 atom: 1093 112S-H N 8.033 ambi=1 { N:112.263 } atom: 1054 109K-H N 7.476 ambi=1 { N:119.897 } ::sumAvg: 4.79 atom: 1070 110V-H N 6.788 ambi=1 { N:121.057 } atom: 1100 113S-H N 7.578 ambi=1 { N:117.745 } ::sumAvg: 4.755 atom: 1100 113S-H N 7.578 ambi=1 { N:117.745 } atom: 1070 110V-H N 6.788 ambi=1 { N:121.057 } ::sumAvg: 4.755 atom: 1100 113S-H N 7.578 ambi=1 { N:117.745 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 1100 113S-H N 7.578 ambi=1 { N:117.745 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 4.77 atom: 1080 111L-H N 7.699 ambi=1 { N:118.614 } atom: 1098 112S-QB B 3.892 ambi=2 { CB:62.397 } ::sumAvg: 4.78 atom: 1080 111L-H N 7.699 ambi=1 { N:118.614 } atom: 1114 114L-HG G 1.978 ambi=1 { CG:26.722 } ::sumAvg: 4.705 atom: 1130 116T-H N 8.018 ambi=1 { N:118.37 } atom: 1098 112S-QB B 3.892 ambi=2 { CB:62.397 } ::sumAvg: 4.945 atom: 1130 116T-H N 8.018 ambi=1 { N:118.37 } atom: 1100 113S-H N 7.578 ambi=1 { N:117.745 } ::sumAvg: 4.76 atom: 1107 114L-H N 7.972 ambi=1 { N:121.403 } atom: 1124 115V-HB B 2.136 ambi=1 { CB:31.333 } ::sumAvg: 4.94 atom: 1107 114L-H N 7.972 ambi=1 { N:121.403 } atom: 1138 117L-H N 8.661 ambi=1 { N:122.462 } ::sumAvg: 4.6 atom: 1138 117L-H N 8.661 ambi=1 { N:122.462 } atom: 1107 114L-H N 7.972 ambi=1 { N:121.403 } ::sumAvg: 4.6 atom: 1120 115V-H N 8.367 ambi=1 { N:121.973 } atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } ::sumAvg: 4.765 atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } atom: 1120 115V-H N 8.367 ambi=1 { N:121.973 } ::sumAvg: 4.765 atom: 1130 116T-H N 8.018 ambi=1 { N:118.37 } atom: 1142 117L-HB2 B 1.774 ambi=2 { CB:41.553 } :: atom: 1130 116T-H N 8.018 ambi=1 { N:118.37 } atom: 1143 117L-HB3 B 2.232 ambi=2 { CB:41.553 } ::sumAvg: 4.835 atom: 1130 116T-H N 8.018 ambi=1 { N:118.37 } atom: 1161 119K-H N 7.596 ambi=1 { N:118.814 } ::sumAvg: 4.635 atom: 1161 119K-H N 7.596 ambi=1 { N:118.814 } atom: 1130 116T-H N 8.018 ambi=1 { N:118.37 } ::sumAvg: 4.635 atom: 1130 116T-H N 8.018 ambi=1 { N:118.37 } atom: 1165 119K-HB2 B 1.884 ambi=2 { CB:32.092 } :: atom: 1130 116T-H N 8.018 ambi=1 { N:118.37 } atom: 1166 119K-HB3 B 1.942 ambi=2 { CB:32.092 } ::sumAvg: 4.95 atom: 1130 116T-H N 8.018 ambi=1 { N:118.37 } atom: 1171 119K-QD D 1.5965 ambi=2 { CD:28.931 } ::sumAvg: 4.125 atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } ::sumAvg: 4.985 atom: 1161 119K-H N 7.596 ambi=1 { N:118.814 } atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } ::sumAvg: 4.46 atom: 1158 118N-HD21 D2 5.527 ambi=2 { ND2:108.194 } atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } :: atom: 1159 118N-HD22 D2 6.121 ambi=2 { ND2:108.194 } atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } ::sumAvg: 4.515 atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } atom: 1165 119K-HB2 B 1.884 ambi=2 { CB:32.092 } :: atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } atom: 1166 119K-HB3 B 1.942 ambi=2 { CB:32.092 } ::sumAvg: 4.78 atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } atom: 1168 119K-HG2 G 1.46 ambi=2 { CG:24.548 } :: atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } atom: 1169 119K-HG3 G 1.322 ambi=2 { CG:24.548 } ::sumAvg: 4.615 atom: 1177 120V-H N 8.651 ambi=1 { N:114.212 } atom: 1153 118N-HA A 3.549 ambi=1 { CA:56.036 } ::sumAvg: 4.75 atom: 1161 119K-H N 7.596 ambi=1 { N:118.814 } atom: 1175 119K-QE E 2.8625 ambi=2 { CE:41.91 } ::sumAvg: 4.685 atom: 1161 119K-H N 7.596 ambi=1 { N:118.814 } atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } ::sumAvg: 4.54 atom: 1177 120V-H N 8.651 ambi=1 { N:114.212 } atom: 1171 119K-QD D 1.5965 ambi=2 { CD:28.931 } ::sumAvg: 4.695 atom: 1177 120V-H N 8.651 ambi=1 { N:114.212 } atom: 1175 119K-QE E 2.8625 ambi=2 { CE:41.91 } ::sumAvg: 4.735 atom: 1177 120V-H N 8.651 ambi=1 { N:114.212 } atom: 1201 123D-H N 8.163 ambi=1 { N:117.454 } ::sumAvg: 4.805 atom: 1201 123D-H N 8.163 ambi=1 { N:117.454 } atom: 1177 120V-H N 8.651 ambi=1 { N:114.212 } ::sumAvg: 4.805 atom: 1208 124I-H N 7.78 ambi=1 { N:118.859 } atom: 1179 120V-HA A 4.082 ambi=1 { CA:64.531 } ::sumAvg: 4.895 atom: 1201 123D-H N 8.163 ambi=1 { N:117.454 } atom: 1182 120V-HG1 G1 1.031 ambi=2 { CG1:21.063 } :: atom: 1201 123D-H N 8.163 ambi=1 { N:117.454 } atom: 1183 120V-HG2 G2 1.121 ambi=2 { CG2:21.166 } ::sumAvg: 4.99 atom: 1221 125G-H N 8.323 ambi=1 { N:111.803 } atom: 1189 121T-HA A 4.411 ambi=1 { CA:62.697 } ::sumAvg: 4.61 atom: 1195 122A-H N 7.651 ambi=1 { N:125.515 } atom: 1205 123D-HB2 B 2.755 ambi=2 { CB:40.701 } :: atom: 1195 122A-H N 7.651 ambi=1 { N:125.515 } atom: 1206 123D-HB3 B 2.663 ambi=2 { CB:40.701 } ::sumAvg: 4.915 atom: 1195 122A-H N 7.651 ambi=1 { N:125.515 } atom: 1221 125G-H N 8.323 ambi=1 { N:111.803 } ::sumAvg: 4.82 atom: 1221 125G-H N 8.323 ambi=1 { N:111.803 } atom: 1195 122A-H N 7.651 ambi=1 { N:125.515 } ::sumAvg: 4.82 atom: 1195 122A-H N 7.651 ambi=1 { N:125.515 } atom: 1230 126L-QB B 1.6025 ambi=2 { CB:43.039 } ::sumAvg: 4.89 atom: 1195 122A-H N 7.651 ambi=1 { N:125.515 } atom: 1233 126L-HG G 1.595 ambi=1 { CG:26.989 } ::sumAvg: 4.985 atom: 1195 122A-H N 7.651 ambi=1 { N:125.515 } atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } :: atom: 1195 122A-H N 7.651 ambi=1 { N:125.515 } atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } ::sumAvg: 4.26 atom: 1221 125G-H N 8.323 ambi=1 { N:111.803 } atom: 1197 122A-HA A 4.27 ambi=1 { CA:53.979 } ::sumAvg: 3.295 atom: 1226 126L-H N 7.724 ambi=1 { N:127.225 } atom: 1197 122A-HA A 4.27 ambi=1 { CA:53.979 } ::sumAvg: 3.675 atom: 1221 125G-H N 8.323 ambi=1 { N:111.803 } atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } ::sumAvg: 4.48 atom: 1226 126L-H N 7.724 ambi=1 { N:127.225 } atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } ::sumAvg: 4.915 atom: 1201 123D-H N 8.163 ambi=1 { N:117.454 } atom: 1212 124I-HB B 1.981 ambi=1 { CB:38.435 } ::sumAvg: 4.89 atom: 1221 125G-H N 8.323 ambi=1 { N:111.803 } atom: 1205 123D-HB2 B 2.755 ambi=2 { CB:40.701 } :: atom: 1221 125G-H N 8.323 ambi=1 { N:111.803 } atom: 1206 123D-HB3 B 2.663 ambi=2 { CB:40.701 } ::sumAvg: 4.975 atom: 1226 126L-H N 7.724 ambi=1 { N:127.225 } atom: 1213 124I-HG2 G2 0.958 ambi=1 { CG2:17.23 } ::sumAvg: 4.345 atom: 1221 125G-H N 8.323 ambi=1 { N:111.803 } atom: 1228 126L-HA A 4.207 ambi=1 { CA:56.202 } ::sumAvg: 4.9 atom: 1221 125G-H N 8.323 ambi=1 { N:111.803 } atom: 1230 126L-QB B 1.6025 ambi=2 { CB:43.039 } ::sumAvg: 4.485 atom: 1221 125G-H N 8.323 ambi=1 { N:111.803 } atom: 1233 126L-HG G 1.595 ambi=1 { CG:26.989 } ::sumAvg: 3.595 # Missing interactons for cnoeabsall.peaks atom: 9 10H-HB2 B 3.152 ambi=2 { CB:29.76 } atom: 14 11M-H N 8.21 ambi=1 { N:121.291 } :: atom: 10 10H-HB3 B 3.085 ambi=2 { CB:29.76 } atom: 14 11M-H N 8.21 ambi=1 { N:121.291 } ::sumAvg: 3.19 atom: 9 10H-HB2 B 3.152 ambi=2 { CB:29.76 } atom: 16 11M-HA A 4.366 ambi=1 { CA:55.899 } :: atom: 10 10H-HB3 B 3.085 ambi=2 { CB:29.76 } atom: 16 11M-HA A 4.366 ambi=1 { CA:55.899 } ::sumAvg: 4.87 atom: 16 11M-HA A 4.366 ambi=1 { CA:55.899 } atom: 9 10H-HB2 B 3.152 ambi=2 { CB:29.76 } :: atom: 16 11M-HA A 4.366 ambi=1 { CA:55.899 } atom: 10 10H-HB3 B 3.085 ambi=2 { CB:29.76 } ::sumAvg: 4.87 atom: 12 10H-HD2 D2 7.056 ambi=1 { CD2:119.655 } atom: 14 11M-H N 8.21 ambi=1 { N:121.291 } ::sumAvg: 4.6 atom: 21 11M-HG2 G 2.377 ambi=2 { CG:31.856 } atom: 14 11M-H N 8.21 ambi=1 { N:121.291 } :: atom: 22 11M-HG3 G 2.427 ambi=2 { CG:31.856 } atom: 14 11M-H N 8.21 ambi=1 { N:121.291 } ::sumAvg: 3.39 atom: 16 11M-HA A 4.366 ambi=1 { CA:55.899 } atom: 34 13S-H N 8.499 ambi=1 { N:116.077 } ::sumAvg: 4.81 atom: 18 11M-HB2 B 1.984 ambi=2 { CB:33.249 } atom: 26 12N-HA A 4.752 ambi=1 { CA:53.086 } :: atom: 19 11M-HB3 B 1.915 ambi=2 { CB:33.249 } atom: 26 12N-HA A 4.752 ambi=1 { CA:53.086 } ::sumAvg: 4.815 atom: 21 11M-HG2 G 2.377 ambi=2 { CG:31.856 } atom: 24 12N-H N 8.67 ambi=1 { N:120.342 } :: atom: 22 11M-HG3 G 2.427 ambi=2 { CG:31.856 } atom: 24 12N-H N 8.67 ambi=1 { N:120.342 } ::sumAvg: 3.55 atom: 21 11M-HG2 G 2.377 ambi=2 { CG:31.856 } atom: 28 12N-HB2 B 2.983 ambi=2 { CB:38.583 } :: atom: 21 11M-HG2 G 2.377 ambi=2 { CG:31.856 } atom: 29 12N-HB3 B 2.884 ambi=2 { CB:38.583 } :: atom: 22 11M-HG3 G 2.427 ambi=2 { CG:31.856 } atom: 28 12N-HB2 B 2.983 ambi=2 { CB:38.583 } :: atom: 22 11M-HG3 G 2.427 ambi=2 { CG:31.856 } atom: 29 12N-HB3 B 2.884 ambi=2 { CB:38.583 } ::sumAvg: 4.775 atom: 54 15E-HG2 G 2.367 ambi=2 { CG:36.479 } atom: 24 12N-H N 8.67 ambi=1 { N:120.342 } :: atom: 55 15E-HG3 G 2.25 ambi=2 { CG:36.479 } atom: 24 12N-H N 8.67 ambi=1 { N:120.342 } ::sumAvg: 4.45 atom: 36 13S-HA A 4.214 ambi=1 { CA:60.926 } atom: 26 12N-HA A 4.752 ambi=1 { CA:53.086 } ::sumAvg: 4.605 atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } atom: 26 12N-HA A 4.752 ambi=1 { CA:53.086 } ::sumAvg: 4.76 atom: 51 15E-HB2 B 2.087 ambi=2 { CB:29.559 } atom: 26 12N-HA A 4.752 ambi=1 { CA:53.086 } :: atom: 52 15E-HB3 B 2.136 ambi=2 { CB:29.559 } atom: 26 12N-HA A 4.752 ambi=1 { CA:53.086 } ::sumAvg: 4.34 atom: 54 15E-HG2 G 2.367 ambi=2 { CG:36.479 } atom: 26 12N-HA A 4.752 ambi=1 { CA:53.086 } :: atom: 55 15E-HG3 G 2.25 ambi=2 { CG:36.479 } atom: 26 12N-HA A 4.752 ambi=1 { CA:53.086 } ::sumAvg: 3.98 atom: 28 12N-HB2 B 2.983 ambi=2 { CB:38.583 } atom: 36 13S-HA A 4.214 ambi=1 { CA:60.926 } :: atom: 29 12N-HB3 B 2.884 ambi=2 { CB:38.583 } atom: 36 13S-HA A 4.214 ambi=1 { CA:60.926 } ::sumAvg: 4.895 atom: 36 13S-HA A 4.214 ambi=1 { CA:60.926 } atom: 28 12N-HB2 B 2.983 ambi=2 { CB:38.583 } :: atom: 36 13S-HA A 4.214 ambi=1 { CA:60.926 } atom: 29 12N-HB3 B 2.884 ambi=2 { CB:38.583 } ::sumAvg: 4.895 atom: 28 12N-HB2 B 2.983 ambi=2 { CB:38.583 } atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } :: atom: 29 12N-HB3 B 2.884 ambi=2 { CB:38.583 } atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } ::sumAvg: 4.34 atom: 28 12N-HB2 B 2.983 ambi=2 { CB:38.583 } atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } :: atom: 29 12N-HB3 B 2.884 ambi=2 { CB:38.583 } atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } ::sumAvg: 4.845 atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } atom: 28 12N-HB2 B 2.983 ambi=2 { CB:38.583 } :: atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } atom: 29 12N-HB3 B 2.884 ambi=2 { CB:38.583 } ::sumAvg: 4.845 atom: 54 15E-HG2 G 2.367 ambi=2 { CG:36.479 } atom: 28 12N-HB2 B 2.983 ambi=2 { CB:38.583 } :: atom: 55 15E-HG3 G 2.25 ambi=2 { CG:36.479 } atom: 28 12N-HB2 B 2.983 ambi=2 { CB:38.583 } :: atom: 54 15E-HG2 G 2.367 ambi=2 { CG:36.479 } atom: 29 12N-HB3 B 2.884 ambi=2 { CB:38.583 } :: atom: 55 15E-HG3 G 2.25 ambi=2 { CG:36.479 } atom: 29 12N-HB3 B 2.884 ambi=2 { CB:38.583 } ::sumAvg: 3.68 atom: 28 12N-HB2 B 2.983 ambi=2 { CB:38.583 } atom: 57 16Q-H N 8.448 ambi=1 { N:118.134 } :: atom: 29 12N-HB3 B 2.884 ambi=2 { CB:38.583 } atom: 57 16Q-H N 8.448 ambi=1 { N:118.134 } ::sumAvg: 4.58 atom: 54 15E-HG2 G 2.367 ambi=2 { CG:36.479 } atom: 31 12N-HD21 D2 7.616 ambi=2 { ND2:112.635 } :: atom: 55 15E-HG3 G 2.25 ambi=2 { CG:36.479 } atom: 31 12N-HD21 D2 7.616 ambi=2 { ND2:112.635 } :: atom: 54 15E-HG2 G 2.367 ambi=2 { CG:36.479 } atom: 32 12N-HD22 D2 6.956 ambi=2 { ND2:112.635 } :: atom: 55 15E-HG3 G 2.25 ambi=2 { CG:36.479 } atom: 32 12N-HD22 D2 6.956 ambi=2 { ND2:112.635 } ::sumAvg: 3.75 atom: 290 37P-HG2 G 2.201 ambi=2 { CG:27.356 } atom: 31 12N-HD21 D2 7.616 ambi=2 { ND2:112.635 } :: atom: 291 37P-HG3 G 2.05 ambi=2 { CG:27.356 } atom: 31 12N-HD21 D2 7.616 ambi=2 { ND2:112.635 } :: atom: 290 37P-HG2 G 2.201 ambi=2 { CG:27.356 } atom: 32 12N-HD22 D2 6.956 ambi=2 { ND2:112.635 } :: atom: 291 37P-HG3 G 2.05 ambi=2 { CG:27.356 } atom: 32 12N-HD22 D2 6.956 ambi=2 { ND2:112.635 } ::sumAvg: 4.66 atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } atom: 34 13S-H N 8.499 ambi=1 { N:116.077 } :: atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } atom: 34 13S-H N 8.499 ambi=1 { N:116.077 } ::sumAvg: 4.935 atom: 36 13S-HA A 4.214 ambi=1 { CA:60.926 } atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } ::sumAvg: 4.995 atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } atom: 36 13S-HA A 4.214 ambi=1 { CA:60.926 } ::sumAvg: 4.995 atom: 36 13S-HA A 4.214 ambi=1 { CA:60.926 } atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } ::sumAvg: 4.41 atom: 36 13S-HA A 4.214 ambi=1 { CA:60.926 } atom: 67 16Q-HE21 E2 7.372 ambi=2 { NE2:111.633 } :: atom: 36 13S-HA A 4.214 ambi=1 { CA:60.926 } atom: 68 16Q-HE22 E2 6.714 ambi=2 { NE2:111.633 } ::sumAvg: 3.265 atom: 36 13S-HA A 4.214 ambi=1 { CA:60.926 } atom: 76 17T-HG1 G1 5.033 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.77 atom: 36 13S-HA A 4.214 ambi=1 { CA:60.926 } atom: 1088 111L-HD1 D1 0.797 ambi=2 { CD1:24.389 } :: atom: 36 13S-HA A 4.214 ambi=1 { CA:60.926 } atom: 1089 111L-HD2 D2 0.733 ambi=2 { CD2:24.772 } ::sumAvg: 4.455 atom: 1088 111L-HD1 D1 0.797 ambi=2 { CD1:24.389 } atom: 36 13S-HA A 4.214 ambi=1 { CA:60.926 } :: atom: 1089 111L-HD2 D2 0.733 ambi=2 { CD2:24.772 } atom: 36 13S-HA A 4.214 ambi=1 { CA:60.926 } ::sumAvg: 4.455 atom: 38 13S-HB2 B 3.871 ambi=2 { CB:63.108 } atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } :: atom: 39 13S-HB3 B 3.763 ambi=2 { CB:63.108 } atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } ::sumAvg: 4.35 atom: 38 13S-HB2 B 3.871 ambi=2 { CB:63.108 } atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } :: atom: 38 13S-HB2 B 3.871 ambi=2 { CB:63.108 } atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } :: atom: 39 13S-HB3 B 3.763 ambi=2 { CB:63.108 } atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } :: atom: 39 13S-HB3 B 3.763 ambi=2 { CB:63.108 } atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } ::sumAvg: 4.385 atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } atom: 38 13S-HB2 B 3.871 ambi=2 { CB:63.108 } :: atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } atom: 38 13S-HB2 B 3.871 ambi=2 { CB:63.108 } :: atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } atom: 39 13S-HB3 B 3.763 ambi=2 { CB:63.108 } :: atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } atom: 39 13S-HB3 B 3.763 ambi=2 { CB:63.108 } ::sumAvg: 4.385 atom: 38 13S-HB2 B 3.871 ambi=2 { CB:63.108 } atom: 67 16Q-HE21 E2 7.372 ambi=2 { NE2:111.633 } :: atom: 38 13S-HB2 B 3.871 ambi=2 { CB:63.108 } atom: 68 16Q-HE22 E2 6.714 ambi=2 { NE2:111.633 } :: atom: 39 13S-HB3 B 3.763 ambi=2 { CB:63.108 } atom: 67 16Q-HE21 E2 7.372 ambi=2 { NE2:111.633 } :: atom: 39 13S-HB3 B 3.763 ambi=2 { CB:63.108 } atom: 68 16Q-HE22 E2 6.714 ambi=2 { NE2:111.633 } ::sumAvg: 4.46 atom: 51 15E-HB2 B 2.087 ambi=2 { CB:29.559 } atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } :: atom: 52 15E-HB3 B 2.136 ambi=2 { CB:29.559 } atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } ::sumAvg: 4.855 atom: 54 15E-HG2 G 2.367 ambi=2 { CG:36.479 } atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } :: atom: 55 15E-HG3 G 2.25 ambi=2 { CG:36.479 } atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } ::sumAvg: 4.37 atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } :: atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } ::sumAvg: 4.655 atom: 290 37P-HG2 G 2.201 ambi=2 { CG:27.356 } atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } :: atom: 291 37P-HG3 G 2.05 ambi=2 { CG:27.356 } atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } ::sumAvg: 4.93 atom: 302 38E-QG G 2.2395 ambi=2 { CG:37.595 } atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } ::sumAvg: 4.015 atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } :: atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } atom: 41 14A-H N 8.843 ambi=1 { N:126.919 } ::sumAvg: 4.675 atom: 43 14A-HA A 4.021 ambi=1 { CA:55.481 } atom: 57 16Q-H N 8.448 ambi=1 { N:118.134 } ::sumAvg: 4.685 atom: 43 14A-HA A 4.021 ambi=1 { CA:55.481 } atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } :: atom: 43 14A-HA A 4.021 ambi=1 { CA:55.481 } atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } ::sumAvg: 4.97 atom: 43 14A-HA A 4.021 ambi=1 { CA:55.481 } atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } ::sumAvg: 4.745 atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } atom: 43 14A-HA A 4.021 ambi=1 { CA:55.481 } ::sumAvg: 4.745 atom: 43 14A-HA A 4.021 ambi=1 { CA:55.481 } atom: 1036 107F-QE E 6.986 ambi=3 { QCE:129.914 } ::sumAvg: 4.54 atom: 43 14A-HA A 4.021 ambi=1 { CA:55.481 } atom: 1038 107F-HZ Z 6.753 ambi=1 { CZ:127.464 } ::sumAvg: 4.82 atom: 1038 107F-HZ Z 6.753 ambi=1 { CZ:127.464 } atom: 43 14A-HA A 4.021 ambi=1 { CA:55.481 } ::sumAvg: 4.82 atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } atom: 49 15E-HA A 3.85 ambi=1 { CA:60.086 } ::sumAvg: 3.84 atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } atom: 57 16Q-H N 8.448 ambi=1 { N:118.134 } ::sumAvg: 4.79 atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } ::sumAvg: 3.905 atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } ::sumAvg: 3.905 atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } atom: 79 18V-H N 8.585 ambi=1 { N:122.523 } ::sumAvg: 4.525 atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } ::sumAvg: 3.38 atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } atom: 285 37P-HA A 4.141 ambi=1 { CA:65.354 } ::sumAvg: 4.195 atom: 292 37P-HD2 D 3.428 ambi=2 { CD:50.158 } atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } :: atom: 293 37P-HD3 D 4.043 ambi=2 { CD:50.158 } atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } ::sumAvg: 4.41 atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } atom: 331 41L-HB2 B 1.981 ambi=2 { CB:41.639 } ::sumAvg: 4.37 atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } atom: 1034 107F-QD D 7.189 ambi=3 { QCD:131.799 } ::sumAvg: 4.9 atom: 1034 107F-QD D 7.189 ambi=3 { QCD:131.799 } atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } ::sumAvg: 4.9 atom: 44 14A-HB B 1.465 ambi=1 { CB:17.695 } atom: 1038 107F-HZ Z 6.753 ambi=1 { CZ:127.464 } ::sumAvg: 3.9 atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } :: atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } ::sumAvg: 4.265 atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } :: atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } ::sumAvg: 4.29 atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } :: atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } ::sumAvg: 4.885 atom: 1088 111L-HD1 D1 0.797 ambi=2 { CD1:24.389 } atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } :: atom: 1089 111L-HD2 D2 0.733 ambi=2 { CD2:24.772 } atom: 47 15E-H N 8.77 ambi=1 { N:119.553 } ::sumAvg: 4.79 atom: 49 15E-HA A 3.85 ambi=1 { CA:60.086 } atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } ::sumAvg: 4.79 atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } atom: 49 15E-HA A 3.85 ambi=1 { CA:60.086 } ::sumAvg: 4.79 atom: 49 15E-HA A 3.85 ambi=1 { CA:60.086 } atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } :: atom: 49 15E-HA A 3.85 ambi=1 { CA:60.086 } atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } ::sumAvg: 4.795 atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } atom: 49 15E-HA A 3.85 ambi=1 { CA:60.086 } :: atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } atom: 49 15E-HA A 3.85 ambi=1 { CA:60.086 } ::sumAvg: 4.795 atom: 51 15E-HB2 B 2.087 ambi=2 { CB:29.559 } atom: 59 16Q-HA A 4.032 ambi=1 { CA:58.888 } :: atom: 52 15E-HB3 B 2.136 ambi=2 { CB:29.559 } atom: 59 16Q-HA A 4.032 ambi=1 { CA:58.888 } ::sumAvg: 4.325 atom: 51 15E-HB2 B 2.087 ambi=2 { CB:29.559 } atom: 70 17T-H N 7.994 ambi=1 { N:118.309 } :: atom: 52 15E-HB3 B 2.136 ambi=2 { CB:29.559 } atom: 70 17T-H N 7.994 ambi=1 { N:118.309 } ::sumAvg: 4.79 atom: 54 15E-HG2 G 2.367 ambi=2 { CG:36.479 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } :: atom: 54 15E-HG2 G 2.367 ambi=2 { CG:36.479 } atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } :: atom: 55 15E-HG3 G 2.25 ambi=2 { CG:36.479 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } :: atom: 55 15E-HG3 G 2.25 ambi=2 { CG:36.479 } atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } ::sumAvg: 4.415 atom: 54 15E-HG2 G 2.367 ambi=2 { CG:36.479 } atom: 263 34I-HB B 1.647 ambi=1 { CB:37.642 } :: atom: 55 15E-HG3 G 2.25 ambi=2 { CG:36.479 } atom: 263 34I-HB B 1.647 ambi=1 { CB:37.642 } ::sumAvg: 4.895 atom: 263 34I-HB B 1.647 ambi=1 { CB:37.642 } atom: 54 15E-HG2 G 2.367 ambi=2 { CG:36.479 } :: atom: 263 34I-HB B 1.647 ambi=1 { CB:37.642 } atom: 55 15E-HG3 G 2.25 ambi=2 { CG:36.479 } ::sumAvg: 4.895 atom: 54 15E-HG2 G 2.367 ambi=2 { CG:36.479 } atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } :: atom: 55 15E-HG3 G 2.25 ambi=2 { CG:36.479 } atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } ::sumAvg: 4.745 atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } atom: 54 15E-HG2 G 2.367 ambi=2 { CG:36.479 } :: atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } atom: 55 15E-HG3 G 2.25 ambi=2 { CG:36.479 } ::sumAvg: 4.745 atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } atom: 57 16Q-H N 8.448 ambi=1 { N:118.134 } ::sumAvg: 4.915 atom: 83 18V-HB B 2.357 ambi=1 { CB:31.565 } atom: 59 16Q-HA A 4.032 ambi=1 { CA:58.888 } ::sumAvg: 4.97 atom: 61 16Q-QB B 2.0795 ambi=2 { CB:28.511 } atom: 97 20W-H N 8.277 ambi=1 { N:125.576 } ::sumAvg: 4.72 atom: 61 16Q-QB B 2.0795 ambi=2 { CB:28.511 } atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } :: atom: 61 16Q-QB B 2.0795 ambi=2 { CB:28.511 } atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } ::sumAvg: 4.42 atom: 72 17T-HA A 4.233 ambi=1 { CA:67.207 } atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } :: atom: 72 17T-HA A 4.233 ambi=1 { CA:67.207 } atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } ::sumAvg: 3.625 atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } :: atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } ::sumAvg: 4.545 atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } :: atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } ::sumAvg: 4.545 atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } :: atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } ::sumAvg: 4.915 atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } :: atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } ::sumAvg: 4.915 atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } atom: 76 17T-HG1 G1 5.033 ambi=1 {attached_atom is not_assigned} :: atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } atom: 76 17T-HG1 G1 5.033 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.22 atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } :: atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } :: atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } :: atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } ::sumAvg: 4.87 atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } :: atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } :: atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } :: atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } ::sumAvg: 4.87 atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } atom: 1088 111L-HD1 D1 0.797 ambi=2 { CD1:24.389 } :: atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } atom: 1089 111L-HD2 D2 0.733 ambi=2 { CD2:24.772 } :: atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } atom: 1088 111L-HD1 D1 0.797 ambi=2 { CD1:24.389 } :: atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } atom: 1089 111L-HD2 D2 0.733 ambi=2 { CD2:24.772 } ::sumAvg: 4.975 atom: 1088 111L-HD1 D1 0.797 ambi=2 { CD1:24.389 } atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } :: atom: 1089 111L-HD2 D2 0.733 ambi=2 { CD2:24.772 } atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } :: atom: 1088 111L-HD1 D1 0.797 ambi=2 { CD1:24.389 } atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } :: atom: 1089 111L-HD2 D2 0.733 ambi=2 { CD2:24.772 } atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } ::sumAvg: 4.975 atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } atom: 1125 115V-HG1 G1 0.83 ambi=2 { CG1:20.905 } :: atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } atom: 1126 115V-HG2 G2 0.924 ambi=2 { CG2:22.105 } :: atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } atom: 1125 115V-HG1 G1 0.83 ambi=2 { CG1:20.905 } :: atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } atom: 1126 115V-HG2 G2 0.924 ambi=2 { CG2:22.105 } ::sumAvg: 4.235 atom: 1125 115V-HG1 G1 0.83 ambi=2 { CG1:20.905 } atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } :: atom: 1126 115V-HG2 G2 0.924 ambi=2 { CG2:22.105 } atom: 64 16Q-HG2 G 2.304 ambi=2 { CG:33.891 } :: atom: 1125 115V-HG1 G1 0.83 ambi=2 { CG1:20.905 } atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } :: atom: 1126 115V-HG2 G2 0.924 ambi=2 { CG2:22.105 } atom: 65 16Q-HG3 G 2.396 ambi=2 { CG:33.891 } ::sumAvg: 4.235 atom: 1125 115V-HG1 G1 0.83 ambi=2 { CG1:20.905 } atom: 67 16Q-HE21 E2 7.372 ambi=2 { NE2:111.633 } :: atom: 1126 115V-HG2 G2 0.924 ambi=2 { CG2:22.105 } atom: 67 16Q-HE21 E2 7.372 ambi=2 { NE2:111.633 } :: atom: 1125 115V-HG1 G1 0.83 ambi=2 { CG1:20.905 } atom: 68 16Q-HE22 E2 6.714 ambi=2 { NE2:111.633 } :: atom: 1126 115V-HG2 G2 0.924 ambi=2 { CG2:22.105 } atom: 68 16Q-HE22 E2 6.714 ambi=2 { NE2:111.633 } ::sumAvg: 3.765 atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } atom: 70 17T-H N 7.994 ambi=1 { N:118.309 } :: atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } atom: 70 17T-H N 7.994 ambi=1 { N:118.309 } ::sumAvg: 4.96 atom: 72 17T-HA A 4.233 ambi=1 { CA:67.207 } atom: 81 18V-HA A 3.478 ambi=1 { CA:68.103 } ::sumAvg: 4.875 atom: 81 18V-HA A 3.478 ambi=1 { CA:68.103 } atom: 72 17T-HA A 4.233 ambi=1 { CA:67.207 } ::sumAvg: 4.875 atom: 72 17T-HA A 4.233 ambi=1 { CA:67.207 } atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } ::sumAvg: 4.03 atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } atom: 72 17T-HA A 4.233 ambi=1 { CA:67.207 } ::sumAvg: 4.23 atom: 72 17T-HA A 4.233 ambi=1 { CA:67.207 } atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } :: atom: 72 17T-HA A 4.233 ambi=1 { CA:67.207 } atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } ::sumAvg: 4.84 atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } atom: 72 17T-HA A 4.233 ambi=1 { CA:67.207 } :: atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } atom: 72 17T-HA A 4.233 ambi=1 { CA:67.207 } ::sumAvg: 4.64 atom: 72 17T-HA A 4.233 ambi=1 { CA:67.207 } atom: 1088 111L-HD1 D1 0.797 ambi=2 { CD1:24.389 } :: atom: 72 17T-HA A 4.233 ambi=1 { CA:67.207 } atom: 1089 111L-HD2 D2 0.733 ambi=2 { CD2:24.772 } ::sumAvg: 4.955 atom: 1088 111L-HD1 D1 0.797 ambi=2 { CD1:24.389 } atom: 72 17T-HA A 4.233 ambi=1 { CA:67.207 } :: atom: 1089 111L-HD2 D2 0.733 ambi=2 { CD2:24.772 } atom: 72 17T-HA A 4.233 ambi=1 { CA:67.207 } ::sumAvg: 4.955 atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } atom: 81 18V-HA A 3.478 ambi=1 { CA:68.103 } ::sumAvg: 4.375 atom: 81 18V-HA A 3.478 ambi=1 { CA:68.103 } atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } ::sumAvg: 4.375 atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } :: atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } ::sumAvg: 3.445 atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } ::sumAvg: 4.965 atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } ::sumAvg: 4.965 atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } ::sumAvg: 4.925 atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } :: atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } ::sumAvg: 4.625 atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } :: atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } ::sumAvg: 4.625 atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } ::sumAvg: 4.74 atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } ::sumAvg: 4.74 atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } atom: 1115 114L-HD1 D1 0.724 ambi=2 { CD1:26.03 } :: atom: 74 17T-HB B 4.328 ambi=1 { CB:67.647 } atom: 1116 114L-HD2 D2 0.852 ambi=2 { CD2:22.177 } ::sumAvg: 4.15 atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } atom: 97 20W-H N 8.277 ambi=1 { N:125.576 } ::sumAvg: 4.515 atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } ::sumAvg: 4.445 atom: 331 41L-HB2 B 1.981 ambi=2 { CB:41.639 } atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } ::sumAvg: 4.165 atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } ::sumAvg: 4.55 atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } ::sumAvg: 4.55 atom: 471 54L-HD1 D1 0.214 ambi=2 { CD1:22.858 } atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } :: atom: 472 54L-HD2 D2 0.707 ambi=2 { CD2:26.03 } atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } ::sumAvg: 4.285 atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } atom: 1038 107F-HZ Z 6.753 ambi=1 { CZ:127.464 } ::sumAvg: 4.545 atom: 1038 107F-HZ Z 6.753 ambi=1 { CZ:127.464 } atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } ::sumAvg: 4.545 atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 4.99 atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } ::sumAvg: 4.99 atom: 1082 111L-HA A 3.607 ambi=1 { CA:57.616 } atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } ::sumAvg: 4.12 atom: 1109 114L-HA A 4.294 ambi=1 { CA:57.632 } atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } ::sumAvg: 4.575 atom: 1114 114L-HG G 1.978 ambi=1 { CG:26.722 } atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } ::sumAvg: 4.285 atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } atom: 1120 115V-H N 8.367 ambi=1 { N:121.973 } ::sumAvg: 4.65 atom: 1122 115V-HA A 3.617 ambi=1 { CA:65.986 } atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } ::sumAvg: 4.775 atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } atom: 1155 118N-HB2 B 0.822 ambi=2 { CB:37.236 } :: atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } ::sumAvg: 4.92 atom: 1155 118N-HB2 B 0.822 ambi=2 { CB:37.236 } atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } :: atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } atom: 75 17T-HG2 G2 1.331 ambi=1 { CG2:22.279 } ::sumAvg: 4.92 atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } atom: 76 17T-HG1 G1 5.033 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.865 atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } atom: 76 17T-HG1 G1 5.033 ambi=1 {attached_atom is not_assigned} :: atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } atom: 76 17T-HG1 G1 5.033 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.87 atom: 1111 114L-HB2 B 2.082 ambi=2 { CB:41.466 } atom: 76 17T-HG1 G1 5.033 ambi=1 {attached_atom is not_assigned} :: atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } atom: 76 17T-HG1 G1 5.033 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.58 atom: 1115 114L-HD1 D1 0.724 ambi=2 { CD1:26.03 } atom: 76 17T-HG1 G1 5.033 ambi=1 {attached_atom is not_assigned} :: atom: 1116 114L-HD2 D2 0.852 ambi=2 { CD2:22.177 } atom: 76 17T-HG1 G1 5.033 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.685 atom: 1122 115V-HA A 3.617 ambi=1 { CA:65.986 } atom: 76 17T-HG1 G1 5.033 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.805 atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } atom: 79 18V-H N 8.585 ambi=1 { N:122.523 } :: atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } atom: 79 18V-H N 8.585 ambi=1 { N:122.523 } ::sumAvg: 4.93 atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } atom: 79 18V-H N 8.585 ambi=1 { N:122.523 } ::sumAvg: 4.845 atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } atom: 79 18V-H N 8.585 ambi=1 { N:122.523 } :: atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } atom: 79 18V-H N 8.585 ambi=1 { N:122.523 } ::sumAvg: 4.73 atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } atom: 79 18V-H N 8.585 ambi=1 { N:122.523 } ::sumAvg: 4.81 atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } atom: 81 18V-HA A 3.478 ambi=1 { CA:68.103 } ::sumAvg: 3.445 atom: 81 18V-HA A 3.478 ambi=1 { CA:68.103 } atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } :: atom: 81 18V-HA A 3.478 ambi=1 { CA:68.103 } atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } ::sumAvg: 4.105 atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } atom: 81 18V-HA A 3.478 ambi=1 { CA:68.103 } :: atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } atom: 81 18V-HA A 3.478 ambi=1 { CA:68.103 } ::sumAvg: 4.105 atom: 81 18V-HA A 3.478 ambi=1 { CA:68.103 } atom: 139 22I-HD1 D1 0.801 ambi=1 { CD1:14.605 } ::sumAvg: 4.47 atom: 81 18V-HA A 3.478 ambi=1 { CA:68.103 } atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } ::sumAvg: 4.42 atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } atom: 81 18V-HA A 3.478 ambi=1 { CA:68.103 } ::sumAvg: 4.42 atom: 81 18V-HA A 3.478 ambi=1 { CA:68.103 } atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } ::sumAvg: 4.315 atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } atom: 81 18V-HA A 3.478 ambi=1 { CA:68.103 } ::sumAvg: 4.315 atom: 81 18V-HA A 3.478 ambi=1 { CA:68.103 } atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } ::sumAvg: 4.475 atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } atom: 81 18V-HA A 3.478 ambi=1 { CA:68.103 } ::sumAvg: 4.475 atom: 83 18V-HB B 2.357 ambi=1 { CB:31.565 } atom: 93 19T-HB B 4.247 ambi=1 { CB:68.615 } ::sumAvg: 4.78 atom: 83 18V-HB B 2.357 ambi=1 { CB:31.565 } atom: 97 20W-H N 8.277 ambi=1 { N:125.576 } ::sumAvg: 4.76 atom: 83 18V-HB B 2.357 ambi=1 { CB:31.565 } atom: 139 22I-HD1 D1 0.801 ambi=1 { CD1:14.605 } ::sumAvg: 4.14 atom: 139 22I-HD1 D1 0.801 ambi=1 { CD1:14.605 } atom: 83 18V-HB B 2.357 ambi=1 { CB:31.565 } ::sumAvg: 4.14 atom: 83 18V-HB B 2.357 ambi=1 { CB:31.565 } atom: 269 34I-HD1 D1 0.178 ambi=1 { CD1:12.085 } ::sumAvg: 4.79 atom: 269 34I-HD1 D1 0.178 ambi=1 { CD1:12.085 } atom: 83 18V-HB B 2.357 ambi=1 { CB:31.565 } ::sumAvg: 4.79 atom: 83 18V-HB B 2.357 ambi=1 { CB:31.565 } atom: 287 37P-HB2 B 1.787 ambi=2 { CB:31.193 } ::sumAvg: 4.775 atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } atom: 83 18V-HB B 2.357 ambi=1 { CB:31.565 } :: atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } atom: 83 18V-HB B 2.357 ambi=1 { CB:31.565 } ::sumAvg: 4.115 atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } :: atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } ::sumAvg: 4.75 atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } :: atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } ::sumAvg: 4.095 atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } :: atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } ::sumAvg: 4.995 atom: 133 22I-HB B 1.908 ambi=1 { CB:38.291 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } :: atom: 133 22I-HB B 1.908 ambi=1 { CB:38.291 } atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } ::sumAvg: 4.47 atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } atom: 139 22I-HD1 D1 0.801 ambi=1 { CD1:14.605 } ::sumAvg: 2.235 atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } atom: 203 29S-HA A 4.435 ambi=1 { CA:56.134 } :: atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } atom: 203 29S-HA A 4.435 ambi=1 { CA:56.134 } ::sumAvg: 4.695 atom: 203 29S-HA A 4.435 ambi=1 { CA:56.134 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } :: atom: 203 29S-HA A 4.435 ambi=1 { CA:56.134 } atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } ::sumAvg: 4.695 atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } atom: 216 30P-HD2 D 3.765 ambi=2 { CD:50.49 } :: atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } atom: 217 30P-HD3 D 3.689 ambi=2 { CD:50.49 } :: atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } atom: 216 30P-HD2 D 3.765 ambi=2 { CD:50.49 } :: atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } atom: 217 30P-HD3 D 3.689 ambi=2 { CD:50.49 } ::sumAvg: 3.415 atom: 216 30P-HD2 D 3.765 ambi=2 { CD:50.49 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } :: atom: 217 30P-HD3 D 3.689 ambi=2 { CD:50.49 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } :: atom: 216 30P-HD2 D 3.765 ambi=2 { CD:50.49 } atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } :: atom: 217 30P-HD3 D 3.689 ambi=2 { CD:50.49 } atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } ::sumAvg: 3.415 atom: 263 34I-HB B 1.647 ambi=1 { CB:37.642 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } :: atom: 263 34I-HB B 1.647 ambi=1 { CB:37.642 } atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } ::sumAvg: 4.01 atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } atom: 267 34I-HG12 G1 0.55 ambi=2 { CG1:26.428 } :: atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } atom: 267 34I-HG12 G1 0.55 ambi=2 { CG1:26.428 } ::sumAvg: 3.37 atom: 267 34I-HG12 G1 0.55 ambi=2 { CG1:26.428 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } :: atom: 267 34I-HG12 G1 0.55 ambi=2 { CG1:26.428 } atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } ::sumAvg: 3.37 atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } :: atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } :: atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } :: atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } ::sumAvg: 3.6 atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } :: atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } :: atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } :: atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } ::sumAvg: 3.6 atom: 84 18V-HG1 G1 0.985 ambi=2 { CG1:21.915 } atom: 327 41L-H N 8.54 ambi=1 { N:122.767 } :: atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } atom: 327 41L-H N 8.54 ambi=1 { N:122.767 } ::sumAvg: 4.05 atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } atom: 1088 111L-HD1 D1 0.797 ambi=2 { CD1:24.389 } :: atom: 85 18V-HG2 G2 1.206 ambi=2 { CG2:24.601 } atom: 1089 111L-HD2 D2 0.733 ambi=2 { CD2:24.772 } ::sumAvg: 4.74 atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } atom: 89 19T-H N 8.018 ambi=1 { N:113.87 } :: atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } atom: 89 19T-H N 8.018 ambi=1 { N:113.87 } ::sumAvg: 4.92 atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } atom: 89 19T-H N 8.018 ambi=1 { N:113.87 } :: atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } atom: 89 19T-H N 8.018 ambi=1 { N:113.87 } ::sumAvg: 4.78 atom: 139 22I-HD1 D1 0.801 ambi=1 { CD1:14.605 } atom: 89 19T-H N 8.018 ambi=1 { N:113.87 } ::sumAvg: 4.145 atom: 91 19T-HA A 3.843 ambi=1 { CA:66.738 } atom: 99 20W-HA A 4.596 ambi=1 { CA:59.752 } ::sumAvg: 4.84 atom: 91 19T-HA A 3.843 ambi=1 { CA:66.738 } atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } ::sumAvg: 4.5 atom: 91 19T-HA A 3.843 ambi=1 { CA:66.738 } atom: 147 23T-HG2 G2 1.319 ambi=1 { CG2:21.205 } ::sumAvg: 4.66 atom: 147 23T-HG2 G2 1.319 ambi=1 { CG2:21.205 } atom: 91 19T-HA A 3.843 ambi=1 { CA:66.738 } ::sumAvg: 4.66 atom: 93 19T-HB B 4.247 ambi=1 { CB:68.615 } atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } :: atom: 93 19T-HB B 4.247 ambi=1 { CB:68.615 } atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } ::sumAvg: 4.37 atom: 93 19T-HB B 4.247 ambi=1 { CB:68.615 } atom: 147 23T-HG2 G2 1.319 ambi=1 { CG2:21.205 } ::sumAvg: 4.795 atom: 147 23T-HG2 G2 1.319 ambi=1 { CG2:21.205 } atom: 93 19T-HB B 4.247 ambi=1 { CB:68.615 } ::sumAvg: 4.795 atom: 94 19T-HG2 G2 1.258 ambi=1 { CG2:21.73 } atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } :: atom: 94 19T-HG2 G2 1.258 ambi=1 { CG2:21.73 } atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } ::sumAvg: 4.685 atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } atom: 94 19T-HG2 G2 1.258 ambi=1 { CG2:21.73 } :: atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } atom: 94 19T-HG2 G2 1.258 ambi=1 { CG2:21.73 } ::sumAvg: 4.685 atom: 94 19T-HG2 G2 1.258 ambi=1 { CG2:21.73 } atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } :: atom: 94 19T-HG2 G2 1.258 ambi=1 { CG2:21.73 } atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } ::sumAvg: 4.97 atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } atom: 94 19T-HG2 G2 1.258 ambi=1 { CG2:21.73 } :: atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } atom: 94 19T-HG2 G2 1.258 ambi=1 { CG2:21.73 } ::sumAvg: 4.97 atom: 94 19T-HG2 G2 1.258 ambi=1 { CG2:21.73 } atom: 139 22I-HD1 D1 0.801 ambi=1 { CD1:14.605 } ::sumAvg: 3.76 atom: 94 19T-HG2 G2 1.258 ambi=1 { CG2:21.73 } atom: 142 23T-H N 8.745 ambi=1 { N:120.324 } ::sumAvg: 3.77 atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } atom: 97 20W-H N 8.277 ambi=1 { N:125.576 } ::sumAvg: 4.795 atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } atom: 97 20W-H N 8.277 ambi=1 { N:125.576 } ::sumAvg: 4.545 atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } atom: 99 20W-HA A 4.596 ambi=1 { CA:59.752 } ::sumAvg: 4.785 atom: 157 24L-HG G 1.45 ambi=1 { CG:26.501 } atom: 99 20W-HA A 4.596 ambi=1 { CA:59.752 } ::sumAvg: 4.115 atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } atom: 99 20W-HA A 4.596 ambi=1 { CA:59.752 } :: atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } atom: 99 20W-HA A 4.596 ambi=1 { CA:59.752 } ::sumAvg: 4.57 atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } atom: 110 20W-HE1 E1 10.211 ambi=1 { NE1:131.783 } :: atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } atom: 110 20W-HE1 E1 10.211 ambi=1 { NE1:131.783 } ::sumAvg: 4.925 atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } :: atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } ::sumAvg: 4.82 atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } :: atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } ::sumAvg: 4.82 atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } :: atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } atom: 121 21L-HB3 B 1.05 ambi=2 { CB:41.509 } :: atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } :: atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } atom: 121 21L-HB3 B 1.05 ambi=2 { CB:41.509 } ::sumAvg: 4.93 atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } :: atom: 121 21L-HB3 B 1.05 ambi=2 { CB:41.509 } atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } :: atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } :: atom: 121 21L-HB3 B 1.05 ambi=2 { CB:41.509 } atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } ::sumAvg: 4.93 atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } :: atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } ::sumAvg: 3.475 atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } :: atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } :: atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } :: atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } ::sumAvg: 3.825 atom: 147 23T-HG2 G2 1.319 ambi=1 { CG2:21.205 } atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } :: atom: 147 23T-HG2 G2 1.319 ambi=1 { CG2:21.205 } atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } ::sumAvg: 4.085 atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } :: atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } :: atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } :: atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } ::sumAvg: 4.69 atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } atom: 1158 118N-HD21 D2 5.527 ambi=2 { ND2:108.194 } :: atom: 101 20W-HB2 B 3.704 ambi=2 { CB:28.23 } atom: 1159 118N-HD22 D2 6.121 ambi=2 { ND2:108.194 } :: atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } atom: 1158 118N-HD21 D2 5.527 ambi=2 { ND2:108.194 } :: atom: 102 20W-HB3 B 3.224 ambi=2 { CB:28.23 } atom: 1159 118N-HD22 D2 6.121 ambi=2 { ND2:108.194 } ::sumAvg: 4.19 atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } ::sumAvg: 3.87 atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } ::sumAvg: 4.665 atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } ::sumAvg: 4.665 atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } ::sumAvg: 3.325 atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } ::sumAvg: 3.325 atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } :: atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } ::sumAvg: 4.45 atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } atom: 1111 114L-HB2 B 2.082 ambi=2 { CB:41.466 } :: atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } ::sumAvg: 3.82 atom: 1111 114L-HB2 B 2.082 ambi=2 { CB:41.466 } atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } :: atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } ::sumAvg: 3.82 atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } atom: 1155 118N-HB2 B 0.822 ambi=2 { CB:37.236 } :: atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } ::sumAvg: 3.965 atom: 1155 118N-HB2 B 0.822 ambi=2 { CB:37.236 } atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } :: atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } ::sumAvg: 3.965 atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } atom: 1158 118N-HD21 D2 5.527 ambi=2 { ND2:108.194 } :: atom: 107 20W-HE3 E3 7.549 ambi=1 { CE3:120.412 } atom: 1159 118N-HD22 D2 6.121 ambi=2 { ND2:108.194 } ::sumAvg: 4.73 atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } atom: 110 20W-HE1 E1 10.211 ambi=1 { NE1:131.783 } ::sumAvg: 4.96 atom: 147 23T-HG2 G2 1.319 ambi=1 { CG2:21.205 } atom: 110 20W-HE1 E1 10.211 ambi=1 { NE1:131.783 } ::sumAvg: 4.415 atom: 471 54L-HD1 D1 0.214 ambi=2 { CD1:22.858 } atom: 110 20W-HE1 E1 10.211 ambi=1 { NE1:131.783 } :: atom: 472 54L-HD2 D2 0.707 ambi=2 { CD2:26.03 } atom: 110 20W-HE1 E1 10.211 ambi=1 { NE1:131.783 } ::sumAvg: 4.52 atom: 1153 118N-HA A 3.549 ambi=1 { CA:56.036 } atom: 110 20W-HE1 E1 10.211 ambi=1 { NE1:131.783 } ::sumAvg: 3.905 atom: 1155 118N-HB2 B 0.822 ambi=2 { CB:37.236 } atom: 110 20W-HE1 E1 10.211 ambi=1 { NE1:131.783 } :: atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } atom: 110 20W-HE1 E1 10.211 ambi=1 { NE1:131.783 } ::sumAvg: 4.305 atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } atom: 110 20W-HE1 E1 10.211 ambi=1 { NE1:131.783 } :: atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } atom: 110 20W-HE1 E1 10.211 ambi=1 { NE1:131.783 } ::sumAvg: 4.49 atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } ::sumAvg: 4.855 atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } ::sumAvg: 4.855 atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } :: atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } ::sumAvg: 4.75 atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } ::sumAvg: 4.735 atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } :: atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } ::sumAvg: 4.62 atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } :: atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } ::sumAvg: 4.62 atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } atom: 1109 114L-HA A 4.294 ambi=1 { CA:57.632 } ::sumAvg: 3.385 atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } atom: 1142 117L-HB2 B 1.774 ambi=2 { CB:41.553 } :: atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } atom: 1143 117L-HB3 B 2.232 ambi=2 { CB:41.553 } ::sumAvg: 3.51 atom: 1142 117L-HB2 B 1.774 ambi=2 { CB:41.553 } atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } :: atom: 1143 117L-HB3 B 2.232 ambi=2 { CB:41.553 } atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } ::sumAvg: 3.51 atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } atom: 1145 117L-HG G 1.763 ambi=1 { CG:27.103 } ::sumAvg: 4.395 atom: 1145 117L-HG G 1.763 ambi=1 { CG:27.103 } atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } ::sumAvg: 4.395 atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } ::sumAvg: 4.305 atom: 1155 118N-HB2 B 0.822 ambi=2 { CB:37.236 } atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } :: atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } ::sumAvg: 4 atom: 111 20W-HZ3 Z3 6.893 ambi=1 { CZ3:120.538 } atom: 113 20W-HZ2 Z2 7.331 ambi=1 { CZ2:114.077 } ::sumAvg: 4.265 atom: 113 20W-HZ2 Z2 7.331 ambi=1 { CZ2:114.077 } atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } ::sumAvg: 4.84 atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 113 20W-HZ2 Z2 7.331 ambi=1 { CZ2:114.077 } ::sumAvg: 4.84 atom: 113 20W-HZ2 Z2 7.331 ambi=1 { CZ2:114.077 } atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } ::sumAvg: 4.155 atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } atom: 113 20W-HZ2 Z2 7.331 ambi=1 { CZ2:114.077 } ::sumAvg: 4.155 atom: 1142 117L-HB2 B 1.774 ambi=2 { CB:41.553 } atom: 113 20W-HZ2 Z2 7.331 ambi=1 { CZ2:114.077 } :: atom: 1143 117L-HB3 B 2.232 ambi=2 { CB:41.553 } atom: 113 20W-HZ2 Z2 7.331 ambi=1 { CZ2:114.077 } ::sumAvg: 4.53 atom: 113 20W-HZ2 Z2 7.331 ambi=1 { CZ2:114.077 } atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } ::sumAvg: 4.47 atom: 1155 118N-HB2 B 0.822 ambi=2 { CB:37.236 } atom: 113 20W-HZ2 Z2 7.331 ambi=1 { CZ2:114.077 } :: atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } atom: 113 20W-HZ2 Z2 7.331 ambi=1 { CZ2:114.077 } ::sumAvg: 3.785 atom: 113 20W-HZ2 Z2 7.331 ambi=1 { CZ2:114.077 } atom: 1158 118N-HD21 D2 5.527 ambi=2 { ND2:108.194 } :: atom: 113 20W-HZ2 Z2 7.331 ambi=1 { CZ2:114.077 } atom: 1159 118N-HD22 D2 6.121 ambi=2 { ND2:108.194 } ::sumAvg: 3.27 atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } atom: 113 20W-HZ2 Z2 7.331 ambi=1 { CZ2:114.077 } :: atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } atom: 113 20W-HZ2 Z2 7.331 ambi=1 { CZ2:114.077 } ::sumAvg: 4.685 atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } :: atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } ::sumAvg: 4.195 atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } ::sumAvg: 3.775 atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } atom: 1109 114L-HA A 4.294 ambi=1 { CA:57.632 } ::sumAvg: 4.11 atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } atom: 1111 114L-HB2 B 2.082 ambi=2 { CB:41.466 } :: atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } ::sumAvg: 4.885 atom: 1111 114L-HB2 B 2.082 ambi=2 { CB:41.466 } atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } :: atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } ::sumAvg: 4.885 atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } atom: 1140 117L-HA A 3.987 ambi=1 { CA:57.978 } ::sumAvg: 4.835 atom: 1140 117L-HA A 3.987 ambi=1 { CA:57.978 } atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } ::sumAvg: 4.835 atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } ::sumAvg: 3.7 atom: 1155 118N-HB2 B 0.822 ambi=2 { CB:37.236 } atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } :: atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } ::sumAvg: 3.82 atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } atom: 1158 118N-HD21 D2 5.527 ambi=2 { ND2:108.194 } :: atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } atom: 1159 118N-HD22 D2 6.121 ambi=2 { ND2:108.194 } ::sumAvg: 4.81 atom: 114 20W-HH2 H2 6.792 ambi=1 { CH2:122.827 } atom: 1192 121T-HG2 G2 1.377 ambi=1 { CG2:22.156 } ::sumAvg: 4.755 atom: 133 22I-HB B 1.908 ambi=1 { CB:38.291 } atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } ::sumAvg: 4.9 atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } :: atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } ::sumAvg: 4.17 atom: 147 23T-HG2 G2 1.319 ambi=1 { CG2:21.205 } atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } ::sumAvg: 4.215 atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } :: atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } ::sumAvg: 4.875 atom: 182 27L-HB2 B 1.397 ambi=2 { CB:47.109 } atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } :: atom: 183 27L-HB3 B 1.007 ambi=2 { CB:47.109 } atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } ::sumAvg: 4.915 atom: 186 27L-HD1 D1 0.926 ambi=2 { CD1:24.225 } atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } :: atom: 187 27L-HD2 D2 0.923 ambi=2 { CD2:25.975 } atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } ::sumAvg: 4.625 atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } :: atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } ::sumAvg: 4.745 atom: 471 54L-HD1 D1 0.214 ambi=2 { CD1:22.858 } atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } :: atom: 472 54L-HD2 D2 0.707 ambi=2 { CD2:26.03 } atom: 116 21L-H N 8.205 ambi=1 { N:116.614 } ::sumAvg: 4.975 atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } atom: 131 22I-HA A 4.214 ambi=1 { CA:64.473 } ::sumAvg: 4.78 atom: 131 22I-HA A 4.214 ambi=1 { CA:64.473 } atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } ::sumAvg: 4.78 atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } atom: 142 23T-H N 8.745 ambi=1 { N:120.324 } ::sumAvg: 4.695 atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } atom: 147 23T-HG2 G2 1.319 ambi=1 { CG2:21.205 } ::sumAvg: 4.41 atom: 147 23T-HG2 G2 1.319 ambi=1 { CG2:21.205 } atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } ::sumAvg: 4.41 atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } atom: 157 24L-HG G 1.45 ambi=1 { CG:26.501 } ::sumAvg: 4.24 atom: 157 24L-HG G 1.45 ambi=1 { CG:26.501 } atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } ::sumAvg: 4.24 atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } atom: 163 25G-H N 7.815 ambi=1 { N:105.616 } ::sumAvg: 4.975 atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } atom: 178 27L-H N 6.756 ambi=1 { N:120.672 } ::sumAvg: 4.4 atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } atom: 182 27L-HB2 B 1.397 ambi=2 { CB:47.109 } :: atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } atom: 183 27L-HB3 B 1.007 ambi=2 { CB:47.109 } ::sumAvg: 4.305 atom: 182 27L-HB2 B 1.397 ambi=2 { CB:47.109 } atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } :: atom: 183 27L-HB3 B 1.007 ambi=2 { CB:47.109 } atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } ::sumAvg: 4.305 atom: 186 27L-HD1 D1 0.926 ambi=2 { CD1:24.225 } atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } :: atom: 187 27L-HD2 D2 0.923 ambi=2 { CD2:25.975 } atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } ::sumAvg: 4.935 atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } :: atom: 118 21L-HA A 3.378 ambi=1 { CA:57.724 } atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } ::sumAvg: 4.905 atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } atom: 131 22I-HA A 4.214 ambi=1 { CA:64.473 } :: atom: 121 21L-HB3 B 1.05 ambi=2 { CB:41.509 } atom: 131 22I-HA A 4.214 ambi=1 { CA:64.473 } ::sumAvg: 4.335 atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } :: atom: 121 21L-HB3 B 1.05 ambi=2 { CB:41.509 } atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } ::sumAvg: 3.32 atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } atom: 139 22I-HD1 D1 0.801 ambi=1 { CD1:14.605 } ::sumAvg: 4.69 atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } atom: 154 24L-HB2 B 1.506 ambi=2 { CB:43.838 } :: atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } atom: 155 24L-HB3 B 1.219 ambi=2 { CB:43.838 } :: atom: 121 21L-HB3 B 1.05 ambi=2 { CB:41.509 } atom: 154 24L-HB2 B 1.506 ambi=2 { CB:43.838 } ::sumAvg: 4.97 atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } atom: 168 26V-H N 7.25 ambi=1 { N:109.764 } :: atom: 121 21L-HB3 B 1.05 ambi=2 { CB:41.509 } atom: 168 26V-H N 7.25 ambi=1 { N:109.764 } ::sumAvg: 4.575 atom: 121 21L-HB3 B 1.05 ambi=2 { CB:41.509 } atom: 172 26V-HB B 2.194 ambi=1 { CB:31.171 } ::sumAvg: 4.87 atom: 172 26V-HB B 2.194 ambi=1 { CB:31.171 } atom: 121 21L-HB3 B 1.05 ambi=2 { CB:41.509 } ::sumAvg: 4.87 atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } atom: 178 27L-H N 6.756 ambi=1 { N:120.672 } :: atom: 121 21L-HB3 B 1.05 ambi=2 { CB:41.509 } atom: 178 27L-H N 6.756 ambi=1 { N:120.672 } ::sumAvg: 3.52 atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } atom: 180 27L-HA A 4.536 ambi=1 { CA:52.609 } :: atom: 121 21L-HB3 B 1.05 ambi=2 { CB:41.509 } atom: 180 27L-HA A 4.536 ambi=1 { CA:52.609 } ::sumAvg: 4.555 atom: 121 21L-HB3 B 1.05 ambi=2 { CB:41.509 } atom: 185 27L-HG G 1.652 ambi=1 { CG:26.552 } ::sumAvg: 4.42 atom: 185 27L-HG G 1.652 ambi=1 { CG:26.552 } atom: 121 21L-HB3 B 1.05 ambi=2 { CB:41.509 } ::sumAvg: 4.42 atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } :: atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } ::sumAvg: 3.915 atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } :: atom: 120 21L-HB2 B 1.925 ambi=2 { CB:41.509 } atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } :: atom: 121 21L-HB3 B 1.05 ambi=2 { CB:41.509 } atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } ::sumAvg: 3.415 atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } atom: 129 22I-H N 8.301 ambi=1 { N:119.461 } ::sumAvg: 4.35 atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } atom: 182 27L-HB2 B 1.397 ambi=2 { CB:47.109 } :: atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } atom: 183 27L-HB3 B 1.007 ambi=2 { CB:47.109 } ::sumAvg: 4.895 atom: 182 27L-HB2 B 1.397 ambi=2 { CB:47.109 } atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } :: atom: 183 27L-HB3 B 1.007 ambi=2 { CB:47.109 } atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } ::sumAvg: 4.895 atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } :: atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } ::sumAvg: 3.62 atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } atom: 1115 114L-HD1 D1 0.724 ambi=2 { CD1:26.03 } :: atom: 123 21L-HG G 2.083 ambi=1 { CG:26.231 } atom: 1116 114L-HD2 D2 0.852 ambi=2 { CD2:22.177 } ::sumAvg: 4.555 atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } :: atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } :: atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } ::sumAvg: 4.84 atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } atom: 154 24L-HB2 B 1.506 ambi=2 { CB:43.838 } :: atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } atom: 155 24L-HB3 B 1.219 ambi=2 { CB:43.838 } :: atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } atom: 154 24L-HB2 B 1.506 ambi=2 { CB:43.838 } :: atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } atom: 155 24L-HB3 B 1.219 ambi=2 { CB:43.838 } ::sumAvg: 4.075 atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } atom: 172 26V-HB B 2.194 ambi=1 { CB:31.171 } :: atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } atom: 172 26V-HB B 2.194 ambi=1 { CB:31.171 } ::sumAvg: 4.31 atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } atom: 185 27L-HG G 1.652 ambi=1 { CG:26.552 } :: atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } atom: 185 27L-HG G 1.652 ambi=1 { CG:26.552 } ::sumAvg: 4.585 atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } :: atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } ::sumAvg: 4.85 atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } :: atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } ::sumAvg: 4.85 atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } :: atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } ::sumAvg: 4.46 atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } atom: 329 41L-HA A 3.643 ambi=1 { CA:57.53 } :: atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } atom: 329 41L-HA A 3.643 ambi=1 { CA:57.53 } ::sumAvg: 4.025 atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } :: atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } ::sumAvg: 4.495 atom: 363 44S-HB2 B 3.455 ambi=2 { CB:62.812 } atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } :: atom: 364 44S-HB3 B 3.496 ambi=2 { CB:62.812 } atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } :: atom: 363 44S-HB2 B 3.455 ambi=2 { CB:62.812 } atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } :: atom: 364 44S-HB3 B 3.496 ambi=2 { CB:62.812 } atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } ::sumAvg: 4.575 atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } atom: 421 50V-HB B 1.884 ambi=1 { CB:30.829 } :: atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } atom: 421 50V-HB B 1.884 ambi=1 { CB:30.829 } ::sumAvg: 4.55 atom: 421 50V-HB B 1.884 ambi=1 { CB:30.829 } atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } :: atom: 421 50V-HB B 1.884 ambi=1 { CB:30.829 } atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } ::sumAvg: 4.55 atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } atom: 429 51L-HA A 3.56 ambi=1 { CA:57.487 } :: atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } atom: 429 51L-HA A 3.56 ambi=1 { CA:57.487 } ::sumAvg: 4.505 atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } atom: 436 51L-HD2 D2 0.156 ambi=2 { CD2:21.795 } ::sumAvg: 3.8 atom: 1111 114L-HB2 B 2.082 ambi=2 { CB:41.466 } atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } :: atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } atom: 124 21L-HD1 D1 0.654 ambi=2 { CD1:26.221 } :: atom: 1111 114L-HB2 B 2.082 ambi=2 { CB:41.466 } atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } :: atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } atom: 125 21L-HD2 D2 0.233 ambi=2 { CD2:23.897 } ::sumAvg: 4.235 atom: 173 26V-HG1 G1 0.612 ambi=2 { CG1:21.382 } atom: 129 22I-H N 8.301 ambi=1 { N:119.461 } :: atom: 174 26V-HG2 G2 0.625 ambi=2 { CG2:20.278 } atom: 129 22I-H N 8.301 ambi=1 { N:119.461 } ::sumAvg: 4.505 atom: 182 27L-HB2 B 1.397 ambi=2 { CB:47.109 } atom: 129 22I-H N 8.301 ambi=1 { N:119.461 } :: atom: 183 27L-HB3 B 1.007 ambi=2 { CB:47.109 } atom: 129 22I-H N 8.301 ambi=1 { N:119.461 } ::sumAvg: 3.685 atom: 131 22I-HA A 4.214 ambi=1 { CA:64.473 } atom: 173 26V-HG1 G1 0.612 ambi=2 { CG1:21.382 } :: atom: 131 22I-HA A 4.214 ambi=1 { CA:64.473 } atom: 174 26V-HG2 G2 0.625 ambi=2 { CG2:20.278 } ::sumAvg: 4.29 atom: 131 22I-HA A 4.214 ambi=1 { CA:64.473 } atom: 185 27L-HG G 1.652 ambi=1 { CG:26.552 } ::sumAvg: 4.58 atom: 185 27L-HG G 1.652 ambi=1 { CG:26.552 } atom: 131 22I-HA A 4.214 ambi=1 { CA:64.473 } ::sumAvg: 4.58 atom: 133 22I-HB B 1.908 ambi=1 { CB:38.291 } atom: 144 23T-HA A 3.935 ambi=1 { CA:66.695 } ::sumAvg: 4.27 atom: 133 22I-HB B 1.908 ambi=1 { CB:38.291 } atom: 146 23T-HB B 4.515 ambi=1 { CB:68.544 } ::sumAvg: 4.29 atom: 133 22I-HB B 1.908 ambi=1 { CB:38.291 } atom: 147 23T-HG2 G2 1.319 ambi=1 { CG2:21.205 } ::sumAvg: 4.235 atom: 133 22I-HB B 1.908 ambi=1 { CB:38.291 } atom: 150 24L-H N 8.086 ambi=1 { N:119.658 } ::sumAvg: 4.975 atom: 134 22I-HG2 G2 0.924 ambi=1 { CG2:16.87 } atom: 146 23T-HB B 4.515 ambi=1 { CB:68.544 } ::sumAvg: 4.39 atom: 134 22I-HG2 G2 0.924 ambi=1 { CG2:16.87 } atom: 178 27L-H N 6.756 ambi=1 { N:120.672 } ::sumAvg: 4.765 atom: 134 22I-HG2 G2 0.924 ambi=1 { CG2:16.87 } atom: 182 27L-HB2 B 1.397 ambi=2 { CB:47.109 } ::sumAvg: 4.66 atom: 134 22I-HG2 G2 0.924 ambi=1 { CG2:16.87 } atom: 185 27L-HG G 1.652 ambi=1 { CG:26.552 } ::sumAvg: 4.98 atom: 134 22I-HG2 G2 0.924 ambi=1 { CG2:16.87 } atom: 193 28E-HA A 4.156 ambi=1 { CA:55.727 } ::sumAvg: 3.975 atom: 134 22I-HG2 G2 0.924 ambi=1 { CG2:16.87 } atom: 216 30P-HD2 D 3.765 ambi=2 { CD:50.49 } :: atom: 134 22I-HG2 G2 0.924 ambi=1 { CG2:16.87 } atom: 217 30P-HD3 D 3.689 ambi=2 { CD:50.49 } ::sumAvg: 4.155 atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } atom: 142 23T-H N 8.745 ambi=1 { N:120.324 } :: atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } atom: 142 23T-H N 8.745 ambi=1 { N:120.324 } ::sumAvg: 4.255 atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } atom: 178 27L-H N 6.756 ambi=1 { N:120.672 } :: atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } atom: 178 27L-H N 6.756 ambi=1 { N:120.672 } ::sumAvg: 4.74 atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } atom: 185 27L-HG G 1.652 ambi=1 { CG:26.552 } ::sumAvg: 3.375 atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } atom: 193 28E-HA A 4.156 ambi=1 { CA:55.727 } :: atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } atom: 193 28E-HA A 4.156 ambi=1 { CA:55.727 } ::sumAvg: 4.425 atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } atom: 201 29S-H N 8.61 ambi=1 { N:118.553 } :: atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } atom: 201 29S-H N 8.61 ambi=1 { N:118.553 } ::sumAvg: 4.455 atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } atom: 203 29S-HA A 4.435 ambi=1 { CA:56.134 } :: atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } atom: 203 29S-HA A 4.435 ambi=1 { CA:56.134 } ::sumAvg: 3.175 atom: 205 29S-QB B 3.8125 ambi=2 { CB:63.218 } atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } :: atom: 205 29S-QB B 3.8125 ambi=2 { CB:63.218 } atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } ::sumAvg: 4.23 atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } atom: 216 30P-HD2 D 3.765 ambi=2 { CD:50.49 } :: atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } atom: 217 30P-HD3 D 3.689 ambi=2 { CD:50.49 } :: atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } atom: 216 30P-HD2 D 3.765 ambi=2 { CD:50.49 } :: atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } atom: 217 30P-HD3 D 3.689 ambi=2 { CD:50.49 } ::sumAvg: 3.91 atom: 137 22I-HG12 G1 1.848 ambi=2 { CG1:28.583 } atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } :: atom: 138 22I-HG13 G1 0.838 ambi=2 { CG1:28.583 } atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } ::sumAvg: 4.74 atom: 139 22I-HD1 D1 0.801 ambi=1 { CD1:14.605 } atom: 321 40F-HZ Z 7.294 ambi=1 { CZ:129.716 } ::sumAvg: 4.74 atom: 321 40F-HZ Z 7.294 ambi=1 { CZ:129.716 } atom: 139 22I-HD1 D1 0.801 ambi=1 { CD1:14.605 } ::sumAvg: 4.74 atom: 154 24L-HB2 B 1.506 ambi=2 { CB:43.838 } atom: 142 23T-H N 8.745 ambi=1 { N:120.324 } :: atom: 155 24L-HB3 B 1.219 ambi=2 { CB:43.838 } atom: 142 23T-H N 8.745 ambi=1 { N:120.324 } ::sumAvg: 4.845 atom: 157 24L-HG G 1.45 ambi=1 { CG:26.501 } atom: 142 23T-H N 8.745 ambi=1 { N:120.324 } ::sumAvg: 4.77 atom: 165 25G-HA2 A 3.935 ambi=2 { CA:44.973 } atom: 150 24L-H N 8.086 ambi=1 { N:119.658 } :: atom: 166 25G-HA3 A 4.112 ambi=2 { CA:44.973 } atom: 150 24L-H N 8.086 ambi=1 { N:119.658 } ::sumAvg: 4.84 atom: 154 24L-HB2 B 1.506 ambi=2 { CB:43.838 } atom: 178 27L-H N 6.756 ambi=1 { N:120.672 } :: atom: 155 24L-HB3 B 1.219 ambi=2 { CB:43.838 } atom: 178 27L-H N 6.756 ambi=1 { N:120.672 } ::sumAvg: 4.785 atom: 154 24L-HB2 B 1.506 ambi=2 { CB:43.838 } atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } :: atom: 155 24L-HB3 B 1.219 ambi=2 { CB:43.838 } atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } ::sumAvg: 4.3 atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } atom: 154 24L-HB2 B 1.506 ambi=2 { CB:43.838 } :: atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } atom: 155 24L-HB3 B 1.219 ambi=2 { CB:43.838 } ::sumAvg: 4.3 atom: 154 24L-HB2 B 1.506 ambi=2 { CB:43.838 } atom: 503 57R-HB2 B 2.072 ambi=2 { CB:29.153 } :: atom: 155 24L-HB3 B 1.219 ambi=2 { CB:43.838 } atom: 503 57R-HB2 B 2.072 ambi=2 { CB:29.153 } :: atom: 155 24L-HB3 B 1.219 ambi=2 { CB:43.838 } atom: 504 57R-HB3 B 1.813 ambi=2 { CB:29.153 } ::sumAvg: 3.295 atom: 154 24L-HB2 B 1.506 ambi=2 { CB:43.838 } atom: 509 57R-HD2 D 3.315 ambi=2 { CD:41.832 } :: atom: 154 24L-HB2 B 1.506 ambi=2 { CB:43.838 } atom: 510 57R-HD3 D 3.124 ambi=2 { CD:41.832 } :: atom: 155 24L-HB3 B 1.219 ambi=2 { CB:43.838 } atom: 509 57R-HD2 D 3.315 ambi=2 { CD:41.832 } :: atom: 155 24L-HB3 B 1.219 ambi=2 { CB:43.838 } atom: 510 57R-HD3 D 3.124 ambi=2 { CD:41.832 } ::sumAvg: 4.39 atom: 157 24L-HG G 1.45 ambi=1 { CG:26.501 } atom: 163 25G-H N 7.815 ambi=1 { N:105.616 } ::sumAvg: 4.8 atom: 157 24L-HG G 1.45 ambi=1 { CG:26.501 } atom: 471 54L-HD1 D1 0.214 ambi=2 { CD1:22.858 } :: atom: 157 24L-HG G 1.45 ambi=1 { CG:26.501 } atom: 472 54L-HD2 D2 0.707 ambi=2 { CD2:26.03 } ::sumAvg: 4.195 atom: 157 24L-HG G 1.45 ambi=1 { CG:26.501 } atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } :: atom: 157 24L-HG G 1.45 ambi=1 { CG:26.501 } atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } ::sumAvg: 4.45 atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } :: atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } :: atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } :: atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } ::sumAvg: 4.56 atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } :: atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } :: atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } :: atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } ::sumAvg: 4.56 atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } :: atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } ::sumAvg: 4.04 atom: 509 57R-HD2 D 3.315 ambi=2 { CD:41.832 } atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } :: atom: 510 57R-HD3 D 3.124 ambi=2 { CD:41.832 } atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } :: atom: 509 57R-HD2 D 3.315 ambi=2 { CD:41.832 } atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } :: atom: 510 57R-HD3 D 3.124 ambi=2 { CD:41.832 } atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } ::sumAvg: 4.58 atom: 516 58L-HA A 4.252 ambi=1 { CA:56.621 } atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } :: atom: 516 58L-HA A 4.252 ambi=1 { CA:56.621 } atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } ::sumAvg: 4.745 atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } atom: 1146 117L-HD1 D1 0.909 ambi=2 { CD1:23.923 } :: atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } atom: 1147 117L-HD2 D2 1.133 ambi=2 { CD2:26.076 } :: atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } atom: 1147 117L-HD2 D2 1.133 ambi=2 { CD2:26.076 } ::sumAvg: 4.57 atom: 1146 117L-HD1 D1 0.909 ambi=2 { CD1:23.923 } atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } :: atom: 1147 117L-HD2 D2 1.133 ambi=2 { CD2:26.076 } atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } :: atom: 1147 117L-HD2 D2 1.133 ambi=2 { CD2:26.076 } atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } ::sumAvg: 4.57 atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } atom: 1158 118N-HD21 D2 5.527 ambi=2 { ND2:108.194 } :: atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } atom: 1159 118N-HD22 D2 6.121 ambi=2 { ND2:108.194 } :: atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } atom: 1158 118N-HD21 D2 5.527 ambi=2 { ND2:108.194 } :: atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } atom: 1159 118N-HD22 D2 6.121 ambi=2 { ND2:108.194 } ::sumAvg: 4.35 atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } atom: 1230 126L-QB B 1.6025 ambi=2 { CB:43.039 } :: atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } atom: 1230 126L-QB B 1.6025 ambi=2 { CB:43.039 } ::sumAvg: 4.42 atom: 1230 126L-QB B 1.6025 ambi=2 { CB:43.039 } atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } :: atom: 1230 126L-QB B 1.6025 ambi=2 { CB:43.039 } atom: 159 24L-HD2 D2 0.663 ambi=2 { CD2:22.403 } ::sumAvg: 4.42 atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } :: atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } ::sumAvg: 4 atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } :: atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } atom: 158 24L-HD1 D1 0.06 ambi=2 { CD1:25.155 } ::sumAvg: 4 atom: 182 27L-HB2 B 1.397 ambi=2 { CB:47.109 } atom: 168 26V-H N 7.25 ambi=1 { N:109.764 } :: atom: 183 27L-HB3 B 1.007 ambi=2 { CB:47.109 } atom: 168 26V-H N 7.25 ambi=1 { N:109.764 } ::sumAvg: 4.59 atom: 170 26V-HA A 4.219 ambi=1 { CA:60.965 } atom: 419 50V-HA A 3.386 ambi=1 { CA:66.826 } ::sumAvg: 4.94 atom: 419 50V-HA A 3.386 ambi=1 { CA:66.826 } atom: 170 26V-HA A 4.219 ambi=1 { CA:60.965 } ::sumAvg: 4.94 atom: 170 26V-HA A 4.219 ambi=1 { CA:60.965 } atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } :: atom: 170 26V-HA A 4.219 ambi=1 { CA:60.965 } atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } ::sumAvg: 4.15 atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } atom: 170 26V-HA A 4.219 ambi=1 { CA:60.965 } :: atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } atom: 170 26V-HA A 4.219 ambi=1 { CA:60.965 } ::sumAvg: 4.15 atom: 172 26V-HB B 2.194 ambi=1 { CB:31.171 } atom: 180 27L-HA A 4.536 ambi=1 { CA:52.609 } ::sumAvg: 4.925 atom: 172 26V-HB B 2.194 ambi=1 { CB:31.171 } atom: 182 27L-HB2 B 1.397 ambi=2 { CB:47.109 } :: atom: 172 26V-HB B 2.194 ambi=1 { CB:31.171 } atom: 183 27L-HB3 B 1.007 ambi=2 { CB:47.109 } ::sumAvg: 4.695 atom: 182 27L-HB2 B 1.397 ambi=2 { CB:47.109 } atom: 172 26V-HB B 2.194 ambi=1 { CB:31.171 } :: atom: 183 27L-HB3 B 1.007 ambi=2 { CB:47.109 } atom: 172 26V-HB B 2.194 ambi=1 { CB:31.171 } ::sumAvg: 4.695 atom: 172 26V-HB B 2.194 ambi=1 { CB:31.171 } atom: 455 53R-HG2 G 1.61 ambi=2 { CG:27.581 } ::sumAvg: 4.915 atom: 455 53R-HG2 G 1.61 ambi=2 { CG:27.581 } atom: 172 26V-HB B 2.194 ambi=1 { CB:31.171 } ::sumAvg: 4.915 atom: 172 26V-HB B 2.194 ambi=1 { CB:31.171 } atom: 458 53R-HD2 D 3.176 ambi=2 { CD:43.53 } :: atom: 172 26V-HB B 2.194 ambi=1 { CB:31.171 } atom: 459 53R-HD3 D 3.095 ambi=2 { CD:43.53 } ::sumAvg: 3.755 atom: 172 26V-HB B 2.194 ambi=1 { CB:31.171 } atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } ::sumAvg: 3.52 atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } atom: 172 26V-HB B 2.194 ambi=1 { CB:31.171 } ::sumAvg: 3.52 atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } atom: 172 26V-HB B 2.194 ambi=1 { CB:31.171 } ::sumAvg: 3.56 atom: 471 54L-HD1 D1 0.214 ambi=2 { CD1:22.858 } atom: 172 26V-HB B 2.194 ambi=1 { CB:31.171 } :: atom: 472 54L-HD2 D2 0.707 ambi=2 { CD2:26.03 } atom: 172 26V-HB B 2.194 ambi=1 { CB:31.171 } ::sumAvg: 4.24 atom: 173 26V-HG1 G1 0.612 ambi=2 { CG1:21.382 } atom: 180 27L-HA A 4.536 ambi=1 { CA:52.609 } :: atom: 174 26V-HG2 G2 0.625 ambi=2 { CG2:20.278 } atom: 180 27L-HA A 4.536 ambi=1 { CA:52.609 } ::sumAvg: 3.815 atom: 173 26V-HG1 G1 0.612 ambi=2 { CG1:21.382 } atom: 182 27L-HB2 B 1.397 ambi=2 { CB:47.109 } :: atom: 174 26V-HG2 G2 0.625 ambi=2 { CG2:20.278 } atom: 182 27L-HB2 B 1.397 ambi=2 { CB:47.109 } ::sumAvg: 2.715 atom: 419 50V-HA A 3.386 ambi=1 { CA:66.826 } atom: 173 26V-HG1 G1 0.612 ambi=2 { CG1:21.382 } :: atom: 419 50V-HA A 3.386 ambi=1 { CA:66.826 } atom: 174 26V-HG2 G2 0.625 ambi=2 { CG2:20.278 } ::sumAvg: 4.445 atom: 173 26V-HG1 G1 0.612 ambi=2 { CG1:21.382 } atom: 429 51L-HA A 3.56 ambi=1 { CA:57.487 } :: atom: 174 26V-HG2 G2 0.625 ambi=2 { CG2:20.278 } atom: 429 51L-HA A 3.56 ambi=1 { CA:57.487 } ::sumAvg: 4.81 atom: 173 26V-HG1 G1 0.612 ambi=2 { CG1:21.382 } atom: 436 51L-HD2 D2 0.156 ambi=2 { CD2:21.795 } :: atom: 174 26V-HG2 G2 0.625 ambi=2 { CG2:20.278 } atom: 436 51L-HD2 D2 0.156 ambi=2 { CD2:21.795 } ::sumAvg: 4.915 atom: 450 53R-HA A 3.888 ambi=1 { CA:59.205 } atom: 173 26V-HG1 G1 0.612 ambi=2 { CG1:21.382 } :: atom: 450 53R-HA A 3.888 ambi=1 { CA:59.205 } atom: 174 26V-HG2 G2 0.625 ambi=2 { CG2:20.278 } ::sumAvg: 3.955 atom: 173 26V-HG1 G1 0.612 ambi=2 { CG1:21.382 } atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } :: atom: 174 26V-HG2 G2 0.625 ambi=2 { CG2:20.278 } atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } ::sumAvg: 4.48 atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 173 26V-HG1 G1 0.612 ambi=2 { CG1:21.382 } :: atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 174 26V-HG2 G2 0.625 ambi=2 { CG2:20.278 } ::sumAvg: 4.48 atom: 193 28E-HA A 4.156 ambi=1 { CA:55.727 } atom: 178 27L-H N 6.756 ambi=1 { N:120.672 } ::sumAvg: 4.925 atom: 195 28E-HB2 B 1.903 ambi=2 { CB:30.208 } atom: 180 27L-HA A 4.536 ambi=1 { CA:52.609 } :: atom: 196 28E-HB3 B 1.869 ambi=2 { CB:30.208 } atom: 180 27L-HA A 4.536 ambi=1 { CA:52.609 } ::sumAvg: 4.56 atom: 198 28E-QG G 2.23 ambi=2 { CG:36.057 } atom: 180 27L-HA A 4.536 ambi=1 { CA:52.609 } ::sumAvg: 3.91 atom: 185 27L-HG G 1.652 ambi=1 { CG:26.552 } atom: 193 28E-HA A 4.156 ambi=1 { CA:55.727 } ::sumAvg: 4.495 atom: 193 28E-HA A 4.156 ambi=1 { CA:55.727 } atom: 185 27L-HG G 1.652 ambi=1 { CG:26.552 } ::sumAvg: 4.495 atom: 185 27L-HG G 1.652 ambi=1 { CG:26.552 } atom: 198 28E-QG G 2.23 ambi=2 { CG:36.057 } ::sumAvg: 3.52 atom: 198 28E-QG G 2.23 ambi=2 { CG:36.057 } atom: 185 27L-HG G 1.652 ambi=1 { CG:26.552 } ::sumAvg: 3.52 atom: 185 27L-HG G 1.652 ambi=1 { CG:26.552 } atom: 203 29S-HA A 4.435 ambi=1 { CA:56.134 } ::sumAvg: 4.79 atom: 203 29S-HA A 4.435 ambi=1 { CA:56.134 } atom: 185 27L-HG G 1.652 ambi=1 { CG:26.552 } ::sumAvg: 4.79 atom: 185 27L-HG G 1.652 ambi=1 { CG:26.552 } atom: 216 30P-HD2 D 3.765 ambi=2 { CD:50.49 } :: atom: 185 27L-HG G 1.652 ambi=1 { CG:26.552 } atom: 217 30P-HD3 D 3.689 ambi=2 { CD:50.49 } ::sumAvg: 4.9 atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } atom: 185 27L-HG G 1.652 ambi=1 { CG:26.552 } ::sumAvg: 3.795 atom: 185 27L-HG G 1.652 ambi=1 { CG:26.552 } atom: 321 40F-HZ Z 7.294 ambi=1 { CZ:129.716 } ::sumAvg: 3.975 atom: 186 27L-HD1 D1 0.926 ambi=2 { CD1:24.225 } atom: 216 30P-HD2 D 3.765 ambi=2 { CD:50.49 } :: atom: 186 27L-HD1 D1 0.926 ambi=2 { CD1:24.225 } atom: 217 30P-HD3 D 3.689 ambi=2 { CD:50.49 } :: atom: 187 27L-HD2 D2 0.923 ambi=2 { CD2:25.975 } atom: 216 30P-HD2 D 3.765 ambi=2 { CD:50.49 } :: atom: 187 27L-HD2 D2 0.923 ambi=2 { CD2:25.975 } atom: 217 30P-HD3 D 3.689 ambi=2 { CD:50.49 } ::sumAvg: 4.79 atom: 269 34I-HD1 D1 0.178 ambi=1 { CD1:12.085 } atom: 186 27L-HD1 D1 0.926 ambi=2 { CD1:24.225 } :: atom: 269 34I-HD1 D1 0.178 ambi=1 { CD1:12.085 } atom: 187 27L-HD2 D2 0.923 ambi=2 { CD2:25.975 } ::sumAvg: 4.625 atom: 421 50V-HB B 1.884 ambi=1 { CB:30.829 } atom: 186 27L-HD1 D1 0.926 ambi=2 { CD1:24.225 } :: atom: 421 50V-HB B 1.884 ambi=1 { CB:30.829 } atom: 187 27L-HD2 D2 0.923 ambi=2 { CD2:25.975 } ::sumAvg: 4.22 atom: 195 28E-HB2 B 1.903 ambi=2 { CB:30.208 } atom: 203 29S-HA A 4.435 ambi=1 { CA:56.134 } :: atom: 196 28E-HB3 B 1.869 ambi=2 { CB:30.208 } atom: 203 29S-HA A 4.435 ambi=1 { CA:56.134 } ::sumAvg: 4.845 atom: 198 28E-QG G 2.23 ambi=2 { CG:36.057 } atom: 203 29S-HA A 4.435 ambi=1 { CA:56.134 } ::sumAvg: 4.46 atom: 203 29S-HA A 4.435 ambi=1 { CA:56.134 } atom: 198 28E-QG G 2.23 ambi=2 { CG:36.057 } ::sumAvg: 4.46 atom: 198 28E-QG G 2.23 ambi=2 { CG:36.057 } atom: 209 30P-HA A 4.502 ambi=1 { CA:62.525 } ::sumAvg: 4.33 atom: 216 30P-HD2 D 3.765 ambi=2 { CD:50.49 } atom: 198 28E-QG G 2.23 ambi=2 { CG:36.057 } :: atom: 217 30P-HD3 D 3.689 ambi=2 { CD:50.49 } atom: 198 28E-QG G 2.23 ambi=2 { CG:36.057 } ::sumAvg: 4.775 atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } atom: 198 28E-QG G 2.23 ambi=2 { CG:36.057 } ::sumAvg: 4.9 atom: 198 28E-QG G 2.23 ambi=2 { CG:36.057 } atom: 321 40F-HZ Z 7.294 ambi=1 { CZ:129.716 } ::sumAvg: 4.19 atom: 321 40F-HZ Z 7.294 ambi=1 { CZ:129.716 } atom: 198 28E-QG G 2.23 ambi=2 { CG:36.057 } ::sumAvg: 4.19 atom: 203 29S-HA A 4.435 ambi=1 { CA:56.134 } atom: 211 30P-HB2 B 2.135 ambi=2 { CB:31.869 } :: atom: 203 29S-HA A 4.435 ambi=1 { CA:56.134 } atom: 212 30P-HB3 B 1.946 ambi=2 { CB:31.869 } ::sumAvg: 4.965 atom: 211 30P-HB2 B 2.135 ambi=2 { CB:31.869 } atom: 203 29S-HA A 4.435 ambi=1 { CA:56.134 } :: atom: 212 30P-HB3 B 1.946 ambi=2 { CB:31.869 } atom: 203 29S-HA A 4.435 ambi=1 { CA:56.134 } ::sumAvg: 4.965 atom: 205 29S-QB B 3.8125 ambi=2 { CB:63.218 } atom: 209 30P-HA A 4.502 ambi=1 { CA:62.525 } ::sumAvg: 4.975 atom: 214 30P-HG2 G 1.613 ambi=2 { CG:26.763 } atom: 205 29S-QB B 3.8125 ambi=2 { CB:63.218 } :: atom: 215 30P-HG3 G 1.764 ambi=2 { CG:26.763 } atom: 205 29S-QB B 3.8125 ambi=2 { CB:63.218 } ::sumAvg: 4.555 atom: 221 31K-HA A 4.082 ambi=1 { CA:56.621 } atom: 209 30P-HA A 4.502 ambi=1 { CA:62.525 } ::sumAvg: 4.385 atom: 229 31K-QD D 1.621 ambi=2 { CD:28.481 } atom: 209 30P-HA A 4.502 ambi=1 { CA:62.525 } ::sumAvg: 4.55 atom: 269 34I-HD1 D1 0.178 ambi=1 { CD1:12.085 } atom: 209 30P-HA A 4.502 ambi=1 { CA:62.525 } ::sumAvg: 4.235 atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } atom: 209 30P-HA A 4.502 ambi=1 { CA:62.525 } ::sumAvg: 4.215 atom: 321 40F-HZ Z 7.294 ambi=1 { CZ:129.716 } atom: 209 30P-HA A 4.502 ambi=1 { CA:62.525 } ::sumAvg: 3.93 atom: 221 31K-HA A 4.082 ambi=1 { CA:56.621 } atom: 211 30P-HB2 B 2.135 ambi=2 { CB:31.869 } :: atom: 221 31K-HA A 4.082 ambi=1 { CA:56.621 } atom: 212 30P-HB3 B 1.946 ambi=2 { CB:31.869 } ::sumAvg: 4.675 atom: 223 31K-HB2 B 1.725 ambi=2 { CB:31.564 } atom: 211 30P-HB2 B 2.135 ambi=2 { CB:31.869 } ::sumAvg: 4.8 atom: 211 30P-HB2 B 2.135 ambi=2 { CB:31.869 } atom: 237 32K-HA A 4.424 ambi=1 { CA:54.383 } :: atom: 212 30P-HB3 B 1.946 ambi=2 { CB:31.869 } atom: 237 32K-HA A 4.424 ambi=1 { CA:54.383 } ::sumAvg: 4.705 atom: 237 32K-HA A 4.424 ambi=1 { CA:54.383 } atom: 211 30P-HB2 B 2.135 ambi=2 { CB:31.869 } :: atom: 237 32K-HA A 4.424 ambi=1 { CA:54.383 } atom: 212 30P-HB3 B 1.946 ambi=2 { CB:31.869 } ::sumAvg: 4.705 atom: 242 32K-HG2 G 1.216 ambi=2 { CG:23.652 } atom: 211 30P-HB2 B 2.135 ambi=2 { CB:31.869 } :: atom: 243 32K-HG3 G 1.261 ambi=2 { CG:23.652 } atom: 211 30P-HB2 B 2.135 ambi=2 { CB:31.869 } :: atom: 242 32K-HG2 G 1.216 ambi=2 { CG:23.652 } atom: 212 30P-HB3 B 1.946 ambi=2 { CB:31.869 } :: atom: 243 32K-HG3 G 1.261 ambi=2 { CG:23.652 } atom: 212 30P-HB3 B 1.946 ambi=2 { CB:31.869 } ::sumAvg: 4.895 atom: 211 30P-HB2 B 2.135 ambi=2 { CB:31.869 } atom: 259 34I-H N 8.586 ambi=1 { N:127.469 } :: atom: 212 30P-HB3 B 1.946 ambi=2 { CB:31.869 } atom: 259 34I-H N 8.586 ambi=1 { N:127.469 } ::sumAvg: 4.71 atom: 211 30P-HB2 B 2.135 ambi=2 { CB:31.869 } atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } :: atom: 212 30P-HB3 B 1.946 ambi=2 { CB:31.869 } atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } ::sumAvg: 4.975 atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } atom: 211 30P-HB2 B 2.135 ambi=2 { CB:31.869 } :: atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } atom: 212 30P-HB3 B 1.946 ambi=2 { CB:31.869 } ::sumAvg: 4.975 atom: 211 30P-HB2 B 2.135 ambi=2 { CB:31.869 } atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } :: atom: 212 30P-HB3 B 1.946 ambi=2 { CB:31.869 } atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } ::sumAvg: 4.72 atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } atom: 211 30P-HB2 B 2.135 ambi=2 { CB:31.869 } :: atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } atom: 212 30P-HB3 B 1.946 ambi=2 { CB:31.869 } ::sumAvg: 4.72 atom: 214 30P-HG2 G 1.613 ambi=2 { CG:26.763 } atom: 259 34I-H N 8.586 ambi=1 { N:127.469 } :: atom: 215 30P-HG3 G 1.764 ambi=2 { CG:26.763 } atom: 259 34I-H N 8.586 ambi=1 { N:127.469 } ::sumAvg: 4.58 atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } atom: 214 30P-HG2 G 1.613 ambi=2 { CG:26.763 } :: atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } atom: 215 30P-HG3 G 1.764 ambi=2 { CG:26.763 } ::sumAvg: 4.725 atom: 216 30P-HD2 D 3.765 ambi=2 { CD:50.49 } atom: 267 34I-HG12 G1 0.55 ambi=2 { CG1:26.428 } :: atom: 216 30P-HD2 D 3.765 ambi=2 { CD:50.49 } atom: 268 34I-HG13 G1 1.063 ambi=2 { CG1:26.428 } :: atom: 217 30P-HD3 D 3.689 ambi=2 { CD:50.49 } atom: 267 34I-HG12 G1 0.55 ambi=2 { CG1:26.428 } :: atom: 217 30P-HD3 D 3.689 ambi=2 { CD:50.49 } atom: 268 34I-HG13 G1 1.063 ambi=2 { CG1:26.428 } ::sumAvg: 4.95 atom: 267 34I-HG12 G1 0.55 ambi=2 { CG1:26.428 } atom: 216 30P-HD2 D 3.765 ambi=2 { CD:50.49 } :: atom: 268 34I-HG13 G1 1.063 ambi=2 { CG1:26.428 } atom: 216 30P-HD2 D 3.765 ambi=2 { CD:50.49 } :: atom: 267 34I-HG12 G1 0.55 ambi=2 { CG1:26.428 } atom: 217 30P-HD3 D 3.689 ambi=2 { CD:50.49 } :: atom: 268 34I-HG13 G1 1.063 ambi=2 { CG1:26.428 } atom: 217 30P-HD3 D 3.689 ambi=2 { CD:50.49 } ::sumAvg: 4.95 atom: 216 30P-HD2 D 3.765 ambi=2 { CD:50.49 } atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } :: atom: 217 30P-HD3 D 3.689 ambi=2 { CD:50.49 } atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } ::sumAvg: 4.1 atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } atom: 216 30P-HD2 D 3.765 ambi=2 { CD:50.49 } :: atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } atom: 217 30P-HD3 D 3.689 ambi=2 { CD:50.49 } ::sumAvg: 4.1 atom: 242 32K-HG2 G 1.216 ambi=2 { CG:23.652 } atom: 219 31K-H N 8.495 ambi=1 { N:119.53 } :: atom: 243 32K-HG3 G 1.261 ambi=2 { CG:23.652 } atom: 219 31K-H N 8.495 ambi=1 { N:119.53 } ::sumAvg: 4.625 atom: 223 31K-HB2 B 1.725 ambi=2 { CB:31.564 } atom: 237 32K-HA A 4.424 ambi=1 { CA:54.383 } :: atom: 224 31K-HB3 B 1.884 ambi=2 { CB:31.564 } atom: 237 32K-HA A 4.424 ambi=1 { CA:54.383 } ::sumAvg: 4.805 atom: 237 32K-HA A 4.424 ambi=1 { CA:54.383 } atom: 223 31K-HB2 B 1.725 ambi=2 { CB:31.564 } :: atom: 237 32K-HA A 4.424 ambi=1 { CA:54.383 } atom: 224 31K-HB3 B 1.884 ambi=2 { CB:31.564 } ::sumAvg: 4.805 atom: 242 32K-HG2 G 1.216 ambi=2 { CG:23.652 } atom: 223 31K-HB2 B 1.725 ambi=2 { CB:31.564 } :: atom: 243 32K-HG3 G 1.261 ambi=2 { CG:23.652 } atom: 223 31K-HB2 B 1.725 ambi=2 { CB:31.564 } :: atom: 242 32K-HG2 G 1.216 ambi=2 { CG:23.652 } atom: 224 31K-HB3 B 1.884 ambi=2 { CB:31.564 } :: atom: 243 32K-HG3 G 1.261 ambi=2 { CG:23.652 } atom: 224 31K-HB3 B 1.884 ambi=2 { CB:31.564 } ::sumAvg: 3.765 atom: 232 31K-QE E 2.97 ambi=2 { CE:42.007 } atom: 235 32K-H N 7.412 ambi=1 { N:116.608 } ::sumAvg: 4.775 atom: 269 34I-HD1 D1 0.178 ambi=1 { CD1:12.085 } atom: 235 32K-H N 7.412 ambi=1 { N:116.608 } ::sumAvg: 4.785 atom: 237 32K-HA A 4.424 ambi=1 { CA:54.383 } atom: 248 32K-QE E 2.9225 ambi=2 { CE:41.772 } ::sumAvg: 4.82 atom: 248 32K-QE E 2.9225 ambi=2 { CE:41.772 } atom: 237 32K-HA A 4.424 ambi=1 { CA:54.383 } ::sumAvg: 4.82 atom: 253 33T-HA A 3.861 ambi=1 { CA:63 } atom: 237 32K-HA A 4.424 ambi=1 { CA:54.383 } ::sumAvg: 4.35 atom: 245 32K-QD D 1.61 ambi=2 { CD:28.931 } atom: 251 33T-H N 8.099 ambi=1 { N:116.355 } ::sumAvg: 4.265 atom: 248 32K-QE E 2.9225 ambi=2 { CE:41.772 } atom: 251 33T-H N 8.099 ambi=1 { N:116.355 } ::sumAvg: 4.425 atom: 263 34I-HB B 1.647 ambi=1 { CB:37.642 } atom: 253 33T-HA A 3.861 ambi=1 { CA:63 } ::sumAvg: 4.705 atom: 267 34I-HG12 G1 0.55 ambi=2 { CG1:26.428 } atom: 253 33T-HA A 3.861 ambi=1 { CA:63 } :: atom: 268 34I-HG13 G1 1.063 ambi=2 { CG1:26.428 } atom: 253 33T-HA A 3.861 ambi=1 { CA:63 } ::sumAvg: 3.67 atom: 269 34I-HD1 D1 0.178 ambi=1 { CD1:12.085 } atom: 253 33T-HA A 3.861 ambi=1 { CA:63 } ::sumAvg: 4.72 atom: 256 33T-HG2 G2 1.052 ambi=1 { CG2:21.505 } atom: 261 34I-HA A 3.904 ambi=1 { CA:60 } ::sumAvg: 4.1 atom: 256 33T-HG2 G2 1.052 ambi=1 { CG2:21.505 } atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } ::sumAvg: 4.795 atom: 256 33T-HG2 G2 1.052 ambi=1 { CG2:21.505 } atom: 267 34I-HG12 G1 0.55 ambi=2 { CG1:26.428 } ::sumAvg: 4.63 atom: 261 34I-HA A 3.904 ambi=1 { CA:60 } atom: 272 35S-HA A 4.376 ambi=1 { CA:58.915 } ::sumAvg: 4.445 atom: 272 35S-HA A 4.376 ambi=1 { CA:58.915 } atom: 261 34I-HA A 3.904 ambi=1 { CA:60 } ::sumAvg: 4.445 atom: 261 34I-HA A 3.904 ambi=1 { CA:60 } atom: 277 36D-H N 7.876 ambi=1 { N:119.175 } ::sumAvg: 4.035 atom: 263 34I-HB B 1.647 ambi=1 { CB:37.642 } atom: 277 36D-H N 7.876 ambi=1 { N:119.175 } ::sumAvg: 4.925 atom: 263 34I-HB B 1.647 ambi=1 { CB:37.642 } atom: 285 37P-HA A 4.141 ambi=1 { CA:65.354 } ::sumAvg: 4.165 atom: 285 37P-HA A 4.141 ambi=1 { CA:65.354 } atom: 263 34I-HB B 1.647 ambi=1 { CB:37.642 } ::sumAvg: 4.165 atom: 263 34I-HB B 1.647 ambi=1 { CB:37.642 } atom: 288 37P-HB3 B 2.214 ambi=2 { CB:31.193 } ::sumAvg: 3.995 atom: 288 37P-HB3 B 2.214 ambi=2 { CB:31.193 } atom: 263 34I-HB B 1.647 ambi=1 { CB:37.642 } ::sumAvg: 3.995 atom: 263 34I-HB B 1.647 ambi=1 { CB:37.642 } atom: 292 37P-HD2 D 3.428 ambi=2 { CD:50.158 } :: atom: 263 34I-HB B 1.647 ambi=1 { CB:37.642 } atom: 293 37P-HD3 D 4.043 ambi=2 { CD:50.158 } ::sumAvg: 4.325 atom: 292 37P-HD2 D 3.428 ambi=2 { CD:50.158 } atom: 263 34I-HB B 1.647 ambi=1 { CB:37.642 } :: atom: 293 37P-HD3 D 4.043 ambi=2 { CD:50.158 } atom: 263 34I-HB B 1.647 ambi=1 { CB:37.642 } ::sumAvg: 4.325 atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } atom: 274 35S-HB2 B 3.857 ambi=2 { CB:63.161 } :: atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } atom: 275 35S-HB3 B 3.757 ambi=2 { CB:63.161 } ::sumAvg: 4.74 atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } atom: 281 36D-HB2 B 2.841 ambi=2 { CB:40.614 } :: atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } atom: 282 36D-HB3 B 2.547 ambi=2 { CB:40.614 } ::sumAvg: 4.3 atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } ::sumAvg: 4.635 atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } atom: 327 41L-H N 8.54 ambi=1 { N:122.767 } ::sumAvg: 4.83 atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } ::sumAvg: 4.915 atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } atom: 264 34I-HG2 G2 0.499 ambi=1 { CG2:17.36 } ::sumAvg: 4.915 atom: 267 34I-HG12 G1 0.55 ambi=2 { CG1:26.428 } atom: 285 37P-HA A 4.141 ambi=1 { CA:65.354 } :: atom: 268 34I-HG13 G1 1.063 ambi=2 { CG1:26.428 } atom: 285 37P-HA A 4.141 ambi=1 { CA:65.354 } ::sumAvg: 4.78 atom: 285 37P-HA A 4.141 ambi=1 { CA:65.354 } atom: 267 34I-HG12 G1 0.55 ambi=2 { CG1:26.428 } :: atom: 285 37P-HA A 4.141 ambi=1 { CA:65.354 } atom: 268 34I-HG13 G1 1.063 ambi=2 { CG1:26.428 } ::sumAvg: 4.78 atom: 267 34I-HG12 G1 0.55 ambi=2 { CG1:26.428 } atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } :: atom: 267 34I-HG12 G1 0.55 ambi=2 { CG1:26.428 } atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } :: atom: 268 34I-HG13 G1 1.063 ambi=2 { CG1:26.428 } atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } :: atom: 268 34I-HG13 G1 1.063 ambi=2 { CG1:26.428 } atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } ::sumAvg: 4.635 atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } atom: 267 34I-HG12 G1 0.55 ambi=2 { CG1:26.428 } :: atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } atom: 267 34I-HG12 G1 0.55 ambi=2 { CG1:26.428 } :: atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } atom: 268 34I-HG13 G1 1.063 ambi=2 { CG1:26.428 } :: atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } atom: 268 34I-HG13 G1 1.063 ambi=2 { CG1:26.428 } ::sumAvg: 4.635 atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } atom: 267 34I-HG12 G1 0.55 ambi=2 { CG1:26.428 } :: atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } atom: 268 34I-HG13 G1 1.063 ambi=2 { CG1:26.428 } ::sumAvg: 4.015 atom: 267 34I-HG12 G1 0.55 ambi=2 { CG1:26.428 } atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } :: atom: 268 34I-HG13 G1 1.063 ambi=2 { CG1:26.428 } atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } ::sumAvg: 4.305 atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } atom: 267 34I-HG12 G1 0.55 ambi=2 { CG1:26.428 } :: atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } atom: 268 34I-HG13 G1 1.063 ambi=2 { CG1:26.428 } ::sumAvg: 4.305 atom: 321 40F-HZ Z 7.294 ambi=1 { CZ:129.716 } atom: 269 34I-HD1 D1 0.178 ambi=1 { CD1:12.085 } ::sumAvg: 3.795 atom: 269 34I-HD1 D1 0.178 ambi=1 { CD1:12.085 } atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } :: atom: 269 34I-HD1 D1 0.178 ambi=1 { CD1:12.085 } atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } ::sumAvg: 4.955 atom: 272 35S-HA A 4.376 ambi=1 { CA:58.915 } atom: 279 36D-HA A 5.102 ambi=1 { CA:50.313 } ::sumAvg: 4.565 atom: 292 37P-HD2 D 3.428 ambi=2 { CD:50.158 } atom: 272 35S-HA A 4.376 ambi=1 { CA:58.915 } ::sumAvg: 4.335 atom: 274 35S-HB2 B 3.857 ambi=2 { CB:63.161 } atom: 281 36D-HB2 B 2.841 ambi=2 { CB:40.614 } :: atom: 274 35S-HB2 B 3.857 ambi=2 { CB:63.161 } atom: 282 36D-HB3 B 2.547 ambi=2 { CB:40.614 } :: atom: 275 35S-HB3 B 3.757 ambi=2 { CB:63.161 } atom: 281 36D-HB2 B 2.841 ambi=2 { CB:40.614 } :: atom: 275 35S-HB3 B 3.757 ambi=2 { CB:63.161 } atom: 282 36D-HB3 B 2.547 ambi=2 { CB:40.614 } ::sumAvg: 4.545 atom: 281 36D-HB2 B 2.841 ambi=2 { CB:40.614 } atom: 274 35S-HB2 B 3.857 ambi=2 { CB:63.161 } :: atom: 282 36D-HB3 B 2.547 ambi=2 { CB:40.614 } atom: 274 35S-HB2 B 3.857 ambi=2 { CB:63.161 } :: atom: 281 36D-HB2 B 2.841 ambi=2 { CB:40.614 } atom: 275 35S-HB3 B 3.757 ambi=2 { CB:63.161 } :: atom: 282 36D-HB3 B 2.547 ambi=2 { CB:40.614 } atom: 275 35S-HB3 B 3.757 ambi=2 { CB:63.161 } ::sumAvg: 4.545 atom: 285 37P-HA A 4.141 ambi=1 { CA:65.354 } atom: 277 36D-H N 7.876 ambi=1 { N:119.175 } ::sumAvg: 4.805 atom: 292 37P-HD2 D 3.428 ambi=2 { CD:50.158 } atom: 277 36D-H N 7.876 ambi=1 { N:119.175 } :: atom: 293 37P-HD3 D 4.043 ambi=2 { CD:50.158 } atom: 277 36D-H N 7.876 ambi=1 { N:119.175 } ::sumAvg: 3.96 atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } atom: 277 36D-H N 7.876 ambi=1 { N:119.175 } :: atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } atom: 277 36D-H N 7.876 ambi=1 { N:119.175 } ::sumAvg: 4.89 atom: 285 37P-HA A 4.141 ambi=1 { CA:65.354 } atom: 279 36D-HA A 5.102 ambi=1 { CA:50.313 } ::sumAvg: 4.6 atom: 281 36D-HB2 B 2.841 ambi=2 { CB:40.614 } atom: 307 39G-HA2 A 3.604 ambi=2 { CA:47.066 } :: atom: 281 36D-HB2 B 2.841 ambi=2 { CB:40.614 } atom: 308 39G-HA3 A 3.807 ambi=2 { CA:47.066 } :: atom: 282 36D-HB3 B 2.547 ambi=2 { CB:40.614 } atom: 307 39G-HA2 A 3.604 ambi=2 { CA:47.066 } :: atom: 282 36D-HB3 B 2.547 ambi=2 { CB:40.614 } atom: 308 39G-HA3 A 3.807 ambi=2 { CA:47.066 } ::sumAvg: 3.61 atom: 307 39G-HA2 A 3.604 ambi=2 { CA:47.066 } atom: 281 36D-HB2 B 2.841 ambi=2 { CB:40.614 } :: atom: 308 39G-HA3 A 3.807 ambi=2 { CA:47.066 } atom: 281 36D-HB2 B 2.841 ambi=2 { CB:40.614 } :: atom: 307 39G-HA2 A 3.604 ambi=2 { CA:47.066 } atom: 282 36D-HB3 B 2.547 ambi=2 { CB:40.614 } :: atom: 308 39G-HA3 A 3.807 ambi=2 { CA:47.066 } atom: 282 36D-HB3 B 2.547 ambi=2 { CB:40.614 } ::sumAvg: 3.61 atom: 281 36D-HB2 B 2.841 ambi=2 { CB:40.614 } atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } :: atom: 282 36D-HB3 B 2.547 ambi=2 { CB:40.614 } atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } ::sumAvg: 4.525 atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } atom: 281 36D-HB2 B 2.841 ambi=2 { CB:40.614 } :: atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } atom: 282 36D-HB3 B 2.547 ambi=2 { CB:40.614 } ::sumAvg: 4.525 atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } atom: 285 37P-HA A 4.141 ambi=1 { CA:65.354 } ::sumAvg: 3.815 atom: 285 37P-HA A 4.141 ambi=1 { CA:65.354 } atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } ::sumAvg: 3.895 atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } atom: 285 37P-HA A 4.141 ambi=1 { CA:65.354 } ::sumAvg: 3.895 atom: 285 37P-HA A 4.141 ambi=1 { CA:65.354 } atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } :: atom: 285 37P-HA A 4.141 ambi=1 { CA:65.354 } atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } ::sumAvg: 4.605 atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } atom: 285 37P-HA A 4.141 ambi=1 { CA:65.354 } :: atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } atom: 285 37P-HA A 4.141 ambi=1 { CA:65.354 } ::sumAvg: 4.605 atom: 287 37P-HB2 B 1.787 ambi=2 { CB:31.193 } atom: 297 38E-HA A 3.757 ambi=1 { CA:61.125 } :: atom: 288 37P-HB3 B 2.214 ambi=2 { CB:31.193 } atom: 297 38E-HA A 3.757 ambi=1 { CA:61.125 } ::sumAvg: 4.06 atom: 302 38E-QG G 2.2395 ambi=2 { CG:37.595 } atom: 287 37P-HB2 B 1.787 ambi=2 { CB:31.193 } ::sumAvg: 3.77 atom: 292 37P-HD2 D 3.428 ambi=2 { CD:50.158 } atom: 305 39G-H N 8.094 ambi=1 { N:108.324 } :: atom: 293 37P-HD3 D 4.043 ambi=2 { CD:50.158 } atom: 305 39G-H N 8.094 ambi=1 { N:108.324 } ::sumAvg: 4.67 atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } atom: 297 38E-HA A 3.757 ambi=1 { CA:61.125 } ::sumAvg: 3.9 atom: 1034 107F-QD D 7.189 ambi=3 { QCD:131.799 } atom: 297 38E-HA A 3.757 ambi=1 { CA:61.125 } ::sumAvg: 4.235 atom: 1038 107F-HZ Z 6.753 ambi=1 { CZ:127.464 } atom: 297 38E-HA A 3.757 ambi=1 { CA:61.125 } ::sumAvg: 3.14 atom: 307 39G-HA2 A 3.604 ambi=2 { CA:47.066 } atom: 299 38E-HB2 B 1.94 ambi=2 { CB:29.14 } :: atom: 308 39G-HA3 A 3.807 ambi=2 { CA:47.066 } atom: 299 38E-HB2 B 1.94 ambi=2 { CB:29.14 } :: atom: 307 39G-HA2 A 3.604 ambi=2 { CA:47.066 } atom: 300 38E-HB3 B 2.06 ambi=2 { CB:29.14 } :: atom: 308 39G-HA3 A 3.807 ambi=2 { CA:47.066 } atom: 300 38E-HB3 B 2.06 ambi=2 { CB:29.14 } ::sumAvg: 4.405 atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } atom: 299 38E-HB2 B 1.94 ambi=2 { CB:29.14 } :: atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } atom: 299 38E-HB2 B 1.94 ambi=2 { CB:29.14 } :: atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } atom: 300 38E-HB3 B 2.06 ambi=2 { CB:29.14 } :: atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } atom: 300 38E-HB3 B 2.06 ambi=2 { CB:29.14 } ::sumAvg: 4.89 atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } atom: 299 38E-HB2 B 1.94 ambi=2 { CB:29.14 } :: atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } atom: 299 38E-HB2 B 1.94 ambi=2 { CB:29.14 } :: atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } atom: 300 38E-HB3 B 2.06 ambi=2 { CB:29.14 } :: atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } atom: 300 38E-HB3 B 2.06 ambi=2 { CB:29.14 } ::sumAvg: 4.36 atom: 299 38E-HB2 B 1.94 ambi=2 { CB:29.14 } atom: 1038 107F-HZ Z 6.753 ambi=1 { CZ:127.464 } :: atom: 300 38E-HB3 B 2.06 ambi=2 { CB:29.14 } atom: 1038 107F-HZ Z 6.753 ambi=1 { CZ:127.464 } ::sumAvg: 4.525 atom: 302 38E-QG G 2.2395 ambi=2 { CG:37.595 } atom: 332 41L-HB3 B 1.656 ambi=2 { CB:41.639 } ::sumAvg: 4.925 atom: 332 41L-HB3 B 1.656 ambi=2 { CB:41.639 } atom: 302 38E-QG G 2.2395 ambi=2 { CG:37.595 } ::sumAvg: 4.925 atom: 1038 107F-HZ Z 6.753 ambi=1 { CZ:127.464 } atom: 302 38E-QG G 2.2395 ambi=2 { CG:37.595 } ::sumAvg: 4.4 atom: 302 38E-QG G 2.2395 ambi=2 { CG:37.595 } atom: 1084 111L-HB2 B 1.39 ambi=2 { CB:40.932 } :: atom: 302 38E-QG G 2.2395 ambi=2 { CG:37.595 } atom: 1085 111L-HB3 B 1.214 ambi=2 { CB:40.932 } ::sumAvg: 4.4 atom: 1084 111L-HB2 B 1.39 ambi=2 { CB:40.932 } atom: 302 38E-QG G 2.2395 ambi=2 { CG:37.595 } :: atom: 1085 111L-HB3 B 1.214 ambi=2 { CB:40.932 } atom: 302 38E-QG G 2.2395 ambi=2 { CG:37.595 } ::sumAvg: 4.4 atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } atom: 305 39G-H N 8.094 ambi=1 { N:108.324 } :: atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } atom: 305 39G-H N 8.094 ambi=1 { N:108.324 } ::sumAvg: 4.805 atom: 307 39G-HA2 A 3.604 ambi=2 { CA:47.066 } atom: 312 40F-HA A 4.338 ambi=1 { CA:60.389 } :: atom: 308 39G-HA3 A 3.807 ambi=2 { CA:47.066 } atom: 312 40F-HA A 4.338 ambi=1 { CA:60.389 } ::sumAvg: 4.405 atom: 312 40F-HA A 4.338 ambi=1 { CA:60.389 } atom: 307 39G-HA2 A 3.604 ambi=2 { CA:47.066 } :: atom: 312 40F-HA A 4.338 ambi=1 { CA:60.389 } atom: 308 39G-HA3 A 3.807 ambi=2 { CA:47.066 } ::sumAvg: 4.405 atom: 307 39G-HA2 A 3.604 ambi=2 { CA:47.066 } atom: 347 42Q-HG2 G 1.76 ambi=2 { CG:33.506 } :: atom: 307 39G-HA2 A 3.604 ambi=2 { CA:47.066 } atom: 348 42Q-HG3 G 1.685 ambi=2 { CG:33.506 } :: atom: 308 39G-HA3 A 3.807 ambi=2 { CA:47.066 } atom: 347 42Q-HG2 G 1.76 ambi=2 { CG:33.506 } :: atom: 308 39G-HA3 A 3.807 ambi=2 { CA:47.066 } atom: 348 42Q-HG3 G 1.685 ambi=2 { CG:33.506 } ::sumAvg: 4.48 atom: 307 39G-HA2 A 3.604 ambi=2 { CA:47.066 } atom: 356 43A-HB B 1.336 ambi=1 { CB:17.953 } :: atom: 308 39G-HA3 A 3.807 ambi=2 { CA:47.066 } atom: 356 43A-HB B 1.336 ambi=1 { CB:17.953 } ::sumAvg: 4.72 atom: 331 41L-HB2 B 1.981 ambi=2 { CB:41.639 } atom: 310 40F-H N 8.487 ambi=1 { N:123.072 } :: atom: 332 41L-HB3 B 1.656 ambi=2 { CB:41.639 } atom: 310 40F-H N 8.487 ambi=1 { N:123.072 } ::sumAvg: 4.975 atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } atom: 310 40F-H N 8.487 ambi=1 { N:123.072 } ::sumAvg: 4.72 atom: 312 40F-HA A 4.338 ambi=1 { CA:60.389 } atom: 329 41L-HA A 3.643 ambi=1 { CA:57.53 } ::sumAvg: 4.8 atom: 329 41L-HA A 3.643 ambi=1 { CA:57.53 } atom: 312 40F-HA A 4.338 ambi=1 { CA:60.389 } ::sumAvg: 4.8 atom: 312 40F-HA A 4.338 ambi=1 { CA:60.389 } atom: 359 44S-H N 7.948 ambi=1 { N:112.447 } ::sumAvg: 4.48 atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } atom: 329 41L-HA A 3.643 ambi=1 { CA:57.53 } ::sumAvg: 4.38 atom: 329 41L-HA A 3.643 ambi=1 { CA:57.53 } atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } ::sumAvg: 4.38 atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } atom: 331 41L-HB2 B 1.981 ambi=2 { CB:41.639 } :: atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } atom: 332 41L-HB3 B 1.656 ambi=2 { CB:41.639 } :: atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } atom: 331 41L-HB2 B 1.981 ambi=2 { CB:41.639 } :: atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } atom: 332 41L-HB3 B 1.656 ambi=2 { CB:41.639 } ::sumAvg: 4.815 atom: 331 41L-HB2 B 1.981 ambi=2 { CB:41.639 } atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } :: atom: 332 41L-HB3 B 1.656 ambi=2 { CB:41.639 } atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } :: atom: 331 41L-HB2 B 1.981 ambi=2 { CB:41.639 } atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } :: atom: 332 41L-HB3 B 1.656 ambi=2 { CB:41.639 } atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } ::sumAvg: 4.815 atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } :: atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } ::sumAvg: 3.51 atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } :: atom: 314 40F-HB2 B 2.895 ambi=2 { CB:39.72 } atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } :: atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } :: atom: 315 40F-HB3 B 3.35 ambi=2 { CB:39.72 } atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } ::sumAvg: 4.07 atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } atom: 329 41L-HA A 3.643 ambi=1 { CA:57.53 } ::sumAvg: 3.515 atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } ::sumAvg: 3.1 atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } atom: 356 43A-HB B 1.336 ambi=1 { CB:17.953 } ::sumAvg: 4.41 atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } atom: 363 44S-HB2 B 3.455 ambi=2 { CB:62.812 } :: atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } atom: 364 44S-HB3 B 3.496 ambi=2 { CB:62.812 } ::sumAvg: 4.6 atom: 363 44S-HB2 B 3.455 ambi=2 { CB:62.812 } atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } :: atom: 364 44S-HB3 B 3.496 ambi=2 { CB:62.812 } atom: 317 40F-QD D 7.12 ambi=3 { CD1:131.204 CD2:131.33 } ::sumAvg: 4.6 atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } atom: 329 41L-HA A 3.643 ambi=1 { CA:57.53 } ::sumAvg: 4.645 atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } atom: 363 44S-HB2 B 3.455 ambi=2 { CB:62.812 } :: atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } atom: 364 44S-HB3 B 3.496 ambi=2 { CB:62.812 } ::sumAvg: 4.45 atom: 363 44S-HB2 B 3.455 ambi=2 { CB:62.812 } atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } :: atom: 364 44S-HB3 B 3.496 ambi=2 { CB:62.812 } atom: 319 40F-QE E 7.221 ambi=3 { CE1:131.064 CE2:131.17 } ::sumAvg: 4.45 atom: 1038 107F-HZ Z 6.753 ambi=1 { CZ:127.464 } atom: 327 41L-H N 8.54 ambi=1 { N:122.767 } ::sumAvg: 4.485 atom: 329 41L-HA A 3.643 ambi=1 { CA:57.53 } atom: 342 42Q-HA A 3.213 ambi=1 { CA:60.035 } ::sumAvg: 4.845 atom: 342 42Q-HA A 3.213 ambi=1 { CA:60.035 } atom: 329 41L-HA A 3.643 ambi=1 { CA:57.53 } ::sumAvg: 4.845 atom: 329 41L-HA A 3.643 ambi=1 { CA:57.53 } atom: 353 43A-H N 7.495 ambi=1 { N:118.065 } ::sumAvg: 4.575 atom: 329 41L-HA A 3.643 ambi=1 { CA:57.53 } atom: 366 45L-H N 7.784 ambi=1 { N:117.277 } ::sumAvg: 3.76 atom: 329 41L-HA A 3.643 ambi=1 { CA:57.53 } atom: 370 45L-HB2 B 1.754 ambi=2 { CB:43.183 } :: atom: 329 41L-HA A 3.643 ambi=1 { CA:57.53 } atom: 371 45L-HB3 B 1.45 ambi=2 { CB:43.183 } ::sumAvg: 4.89 atom: 370 45L-HB2 B 1.754 ambi=2 { CB:43.183 } atom: 329 41L-HA A 3.643 ambi=1 { CA:57.53 } :: atom: 371 45L-HB3 B 1.45 ambi=2 { CB:43.183 } atom: 329 41L-HA A 3.643 ambi=1 { CA:57.53 } ::sumAvg: 4.89 atom: 373 45L-HG G 1.97 ambi=1 { CG:25.894 } atom: 329 41L-HA A 3.643 ambi=1 { CA:57.53 } ::sumAvg: 3.09 atom: 329 41L-HA A 3.643 ambi=1 { CA:57.53 } atom: 1036 107F-QE E 6.986 ambi=3 { QCE:129.914 } ::sumAvg: 4.82 atom: 1038 107F-HZ Z 6.753 ambi=1 { CZ:127.464 } atom: 329 41L-HA A 3.643 ambi=1 { CA:57.53 } ::sumAvg: 4.855 atom: 331 41L-HB2 B 1.981 ambi=2 { CB:41.639 } atom: 342 42Q-HA A 3.213 ambi=1 { CA:60.035 } :: atom: 332 41L-HB3 B 1.656 ambi=2 { CB:41.639 } atom: 342 42Q-HA A 3.213 ambi=1 { CA:60.035 } ::sumAvg: 4.265 atom: 331 41L-HB2 B 1.981 ambi=2 { CB:41.639 } atom: 366 45L-H N 7.784 ambi=1 { N:117.277 } :: atom: 332 41L-HB3 B 1.656 ambi=2 { CB:41.639 } atom: 366 45L-H N 7.784 ambi=1 { N:117.277 } ::sumAvg: 4.68 atom: 331 41L-HB2 B 1.981 ambi=2 { CB:41.639 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } :: atom: 331 41L-HB2 B 1.981 ambi=2 { CB:41.639 } atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } :: atom: 332 41L-HB3 B 1.656 ambi=2 { CB:41.639 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } :: atom: 332 41L-HB3 B 1.656 ambi=2 { CB:41.639 } atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } ::sumAvg: 4.705 atom: 331 41L-HB2 B 1.981 ambi=2 { CB:41.639 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 331 41L-HB2 B 1.981 ambi=2 { CB:41.639 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } :: atom: 332 41L-HB3 B 1.656 ambi=2 { CB:41.639 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 332 41L-HB3 B 1.656 ambi=2 { CB:41.639 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 4.64 atom: 331 41L-HB2 B 1.981 ambi=2 { CB:41.639 } atom: 1088 111L-HD1 D1 0.797 ambi=2 { CD1:24.389 } :: atom: 331 41L-HB2 B 1.981 ambi=2 { CB:41.639 } atom: 1089 111L-HD2 D2 0.733 ambi=2 { CD2:24.772 } :: atom: 332 41L-HB3 B 1.656 ambi=2 { CB:41.639 } atom: 1088 111L-HD1 D1 0.797 ambi=2 { CD1:24.389 } :: atom: 332 41L-HB3 B 1.656 ambi=2 { CB:41.639 } atom: 1089 111L-HD2 D2 0.733 ambi=2 { CD2:24.772 } ::sumAvg: 4.3 atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } atom: 340 42Q-H N 8.052 ambi=1 { N:119.044 } ::sumAvg: 4.415 atom: 374 45L-HD1 D1 0.645 ambi=2 { CD1:25.757 } atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } :: atom: 375 45L-HD2 D2 0.554 ambi=2 { CD2:21.354 } atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } ::sumAvg: 4.875 atom: 1036 107F-QE E 6.986 ambi=3 { QCE:129.914 } atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } ::sumAvg: 4.785 atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } atom: 1088 111L-HD1 D1 0.797 ambi=2 { CD1:24.389 } :: atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } atom: 1089 111L-HD2 D2 0.733 ambi=2 { CD2:24.772 } ::sumAvg: 4.805 atom: 1088 111L-HD1 D1 0.797 ambi=2 { CD1:24.389 } atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } :: atom: 1089 111L-HD2 D2 0.733 ambi=2 { CD2:24.772 } atom: 334 41L-HG G 1.833 ambi=1 { CG:26.602 } ::sumAvg: 4.805 atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } atom: 366 45L-H N 7.784 ambi=1 { N:117.277 } :: atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } atom: 366 45L-H N 7.784 ambi=1 { N:117.277 } ::sumAvg: 4.855 atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } :: atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 4.77 atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } :: atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } ::sumAvg: 4.77 atom: 1082 111L-HA A 3.607 ambi=1 { CA:57.616 } atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } :: atom: 1082 111L-HA A 3.607 ambi=1 { CA:57.616 } atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } ::sumAvg: 4.275 atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } atom: 1111 114L-HB2 B 2.082 ambi=2 { CB:41.466 } :: atom: 335 41L-HD1 D1 0.932 ambi=2 { CD1:24.553 } atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } :: atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } atom: 1111 114L-HB2 B 2.082 ambi=2 { CB:41.466 } :: atom: 336 41L-HD2 D2 0.889 ambi=2 { CD2:24.431 } atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } ::sumAvg: 4.81 atom: 374 45L-HD1 D1 0.645 ambi=2 { CD1:25.757 } atom: 340 42Q-H N 8.052 ambi=1 { N:119.044 } :: atom: 375 45L-HD2 D2 0.554 ambi=2 { CD2:21.354 } atom: 340 42Q-H N 8.052 ambi=1 { N:119.044 } ::sumAvg: 4.61 atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } atom: 340 42Q-H N 8.052 ambi=1 { N:119.044 } :: atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } atom: 340 42Q-H N 8.052 ambi=1 { N:119.044 } ::sumAvg: 4.48 atom: 342 42Q-HA A 3.213 ambi=1 { CA:60.035 } atom: 355 43A-HA A 3.921 ambi=1 { CA:54.548 } ::sumAvg: 4.765 atom: 355 43A-HA A 3.921 ambi=1 { CA:54.548 } atom: 342 42Q-HA A 3.213 ambi=1 { CA:60.035 } ::sumAvg: 4.765 atom: 342 42Q-HA A 3.213 ambi=1 { CA:60.035 } atom: 359 44S-H N 7.948 ambi=1 { N:112.447 } ::sumAvg: 4.445 atom: 373 45L-HG G 1.97 ambi=1 { CG:25.894 } atom: 342 42Q-HA A 3.213 ambi=1 { CA:60.035 } ::sumAvg: 4.47 atom: 342 42Q-HA A 3.213 ambi=1 { CA:60.035 } atom: 379 46K-H N 6.897 ambi=1 { N:121.362 } ::sumAvg: 4.58 atom: 342 42Q-HA A 3.213 ambi=1 { CA:60.035 } atom: 960 101L-HA A 4.492 ambi=1 { CA:56.477 } ::sumAvg: 4.75 atom: 342 42Q-HA A 3.213 ambi=1 { CA:60.035 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 342 42Q-HA A 3.213 ambi=1 { CA:60.035 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 4.39 atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 342 42Q-HA A 3.213 ambi=1 { CA:60.035 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 342 42Q-HA A 3.213 ambi=1 { CA:60.035 } ::sumAvg: 4.39 atom: 355 43A-HA A 3.921 ambi=1 { CA:54.548 } atom: 344 42Q-HB2 B 0.917 ambi=2 { CB:27.104 } :: atom: 355 43A-HA A 3.921 ambi=1 { CA:54.548 } atom: 345 42Q-HB3 B 1.636 ambi=2 { CB:27.104 } ::sumAvg: 4.215 atom: 344 42Q-HB2 B 0.917 ambi=2 { CB:27.104 } atom: 356 43A-HB B 1.336 ambi=1 { CB:17.953 } ::sumAvg: 3.82 atom: 344 42Q-HB2 B 0.917 ambi=2 { CB:27.104 } atom: 359 44S-H N 7.948 ambi=1 { N:112.447 } :: atom: 345 42Q-HB3 B 1.636 ambi=2 { CB:27.104 } atom: 359 44S-H N 7.948 ambi=1 { N:112.447 } ::sumAvg: 4.995 atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } atom: 344 42Q-HB2 B 0.917 ambi=2 { CB:27.104 } :: atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } atom: 344 42Q-HB2 B 0.917 ambi=2 { CB:27.104 } :: atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } atom: 345 42Q-HB3 B 1.636 ambi=2 { CB:27.104 } :: atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } atom: 345 42Q-HB3 B 1.636 ambi=2 { CB:27.104 } ::sumAvg: 4.9 atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } atom: 344 42Q-HB2 B 0.917 ambi=2 { CB:27.104 } :: atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } atom: 344 42Q-HB2 B 0.917 ambi=2 { CB:27.104 } :: atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } atom: 345 42Q-HB3 B 1.636 ambi=2 { CB:27.104 } :: atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } atom: 345 42Q-HB3 B 1.636 ambi=2 { CB:27.104 } ::sumAvg: 3.815 atom: 347 42Q-HG2 G 1.76 ambi=2 { CG:33.506 } atom: 960 101L-HA A 4.492 ambi=1 { CA:56.477 } :: atom: 348 42Q-HG3 G 1.685 ambi=2 { CG:33.506 } atom: 960 101L-HA A 4.492 ambi=1 { CA:56.477 } ::sumAvg: 3.51 atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } atom: 347 42Q-HG2 G 1.76 ambi=2 { CG:33.506 } :: atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } atom: 347 42Q-HG2 G 1.76 ambi=2 { CG:33.506 } :: atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } atom: 348 42Q-HG3 G 1.685 ambi=2 { CG:33.506 } :: atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } atom: 348 42Q-HG3 G 1.685 ambi=2 { CG:33.506 } ::sumAvg: 3.54 atom: 347 42Q-HG2 G 1.76 ambi=2 { CG:33.506 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 347 42Q-HG2 G 1.76 ambi=2 { CG:33.506 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } :: atom: 348 42Q-HG3 G 1.685 ambi=2 { CG:33.506 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 348 42Q-HG3 G 1.685 ambi=2 { CG:33.506 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 4.805 atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 347 42Q-HG2 G 1.76 ambi=2 { CG:33.506 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 347 42Q-HG2 G 1.76 ambi=2 { CG:33.506 } :: atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 348 42Q-HG3 G 1.685 ambi=2 { CG:33.506 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 348 42Q-HG3 G 1.685 ambi=2 { CG:33.506 } ::sumAvg: 4.805 atom: 355 43A-HA A 3.921 ambi=1 { CA:54.548 } atom: 350 42Q-HE21 E2 6.763 ambi=2 { NE2:108.883 } :: atom: 355 43A-HA A 3.921 ambi=1 { CA:54.548 } atom: 351 42Q-HE22 E2 6.621 ambi=2 { NE2:108.883 } ::sumAvg: 3.595 atom: 356 43A-HB B 1.336 ambi=1 { CB:17.953 } atom: 350 42Q-HE21 E2 6.763 ambi=2 { NE2:108.883 } :: atom: 356 43A-HB B 1.336 ambi=1 { CB:17.953 } atom: 351 42Q-HE22 E2 6.621 ambi=2 { NE2:108.883 } ::sumAvg: 4.645 atom: 381 46K-HA A 3.637 ambi=1 { CA:60.945 } atom: 350 42Q-HE21 E2 6.763 ambi=2 { NE2:108.883 } :: atom: 381 46K-HA A 3.637 ambi=1 { CA:60.945 } atom: 351 42Q-HE22 E2 6.621 ambi=2 { NE2:108.883 } ::sumAvg: 3.975 atom: 386 46K-QG G 1.331 ambi=2 { CG:24.725 } atom: 350 42Q-HE21 E2 6.763 ambi=2 { NE2:108.883 } :: atom: 386 46K-QG G 1.331 ambi=2 { CG:24.725 } atom: 351 42Q-HE22 E2 6.621 ambi=2 { NE2:108.883 } ::sumAvg: 3.205 atom: 973 102Y-HA A 4.046 ambi=1 { CA:62.539 } atom: 350 42Q-HE21 E2 6.763 ambi=2 { NE2:108.883 } :: atom: 973 102Y-HA A 4.046 ambi=1 { CA:62.539 } atom: 351 42Q-HE22 E2 6.621 ambi=2 { NE2:108.883 } ::sumAvg: 3.875 atom: 988 103Q-HA A 4.274 ambi=1 { CA:54.96 } atom: 350 42Q-HE21 E2 6.763 ambi=2 { NE2:108.883 } :: atom: 988 103Q-HA A 4.274 ambi=1 { CA:54.96 } atom: 351 42Q-HE22 E2 6.621 ambi=2 { NE2:108.883 } ::sumAvg: 4.985 atom: 356 43A-HB B 1.336 ambi=1 { CB:17.953 } atom: 363 44S-HB2 B 3.455 ambi=2 { CB:62.812 } :: atom: 356 43A-HB B 1.336 ambi=1 { CB:17.953 } atom: 364 44S-HB3 B 3.496 ambi=2 { CB:62.812 } ::sumAvg: 4.29 atom: 363 44S-HB2 B 3.455 ambi=2 { CB:62.812 } atom: 356 43A-HB B 1.336 ambi=1 { CB:17.953 } :: atom: 364 44S-HB3 B 3.496 ambi=2 { CB:62.812 } atom: 356 43A-HB B 1.336 ambi=1 { CB:17.953 } ::sumAvg: 4.29 atom: 370 45L-HB2 B 1.754 ambi=2 { CB:43.183 } atom: 359 44S-H N 7.948 ambi=1 { N:112.447 } :: atom: 371 45L-HB3 B 1.45 ambi=2 { CB:43.183 } atom: 359 44S-H N 7.948 ambi=1 { N:112.447 } ::sumAvg: 4.825 atom: 373 45L-HG G 1.97 ambi=1 { CG:25.894 } atom: 359 44S-H N 7.948 ambi=1 { N:112.447 } ::sumAvg: 4.18 atom: 361 44S-HA A 4.067 ambi=1 { CA:60.936 } atom: 368 45L-HA A 4.594 ambi=1 { CA:54.095 } ::sumAvg: 4.68 atom: 361 44S-HA A 4.067 ambi=1 { CA:60.936 } atom: 383 46K-HB2 B 1.996 ambi=2 { CB:33.195 } :: atom: 361 44S-HA A 4.067 ambi=1 { CA:60.936 } atom: 384 46K-HB3 B 1.752 ambi=2 { CB:33.195 } ::sumAvg: 4.805 atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } atom: 361 44S-HA A 4.067 ambi=1 { CA:60.936 } :: atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } atom: 361 44S-HA A 4.067 ambi=1 { CA:60.936 } ::sumAvg: 4.21 atom: 363 44S-HB2 B 3.455 ambi=2 { CB:62.812 } atom: 368 45L-HA A 4.594 ambi=1 { CA:54.095 } :: atom: 364 44S-HB3 B 3.496 ambi=2 { CB:62.812 } atom: 368 45L-HA A 4.594 ambi=1 { CA:54.095 } ::sumAvg: 4.47 atom: 363 44S-HB2 B 3.455 ambi=2 { CB:62.812 } atom: 373 45L-HG G 1.97 ambi=1 { CG:25.894 } :: atom: 364 44S-HB3 B 3.496 ambi=2 { CB:62.812 } atom: 373 45L-HG G 1.97 ambi=1 { CG:25.894 } ::sumAvg: 3.625 atom: 373 45L-HG G 1.97 ambi=1 { CG:25.894 } atom: 363 44S-HB2 B 3.455 ambi=2 { CB:62.812 } :: atom: 373 45L-HG G 1.97 ambi=1 { CG:25.894 } atom: 364 44S-HB3 B 3.496 ambi=2 { CB:62.812 } ::sumAvg: 3.625 atom: 363 44S-HB2 B 3.455 ambi=2 { CB:62.812 } atom: 379 46K-H N 6.897 ambi=1 { N:121.362 } :: atom: 364 44S-HB3 B 3.496 ambi=2 { CB:62.812 } atom: 379 46K-H N 6.897 ambi=1 { N:121.362 } ::sumAvg: 4.9 atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } atom: 363 44S-HB2 B 3.455 ambi=2 { CB:62.812 } :: atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } atom: 363 44S-HB2 B 3.455 ambi=2 { CB:62.812 } :: atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } atom: 364 44S-HB3 B 3.496 ambi=2 { CB:62.812 } :: atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } atom: 364 44S-HB3 B 3.496 ambi=2 { CB:62.812 } ::sumAvg: 3.735 atom: 373 45L-HG G 1.97 ambi=1 { CG:25.894 } atom: 368 45L-HA A 4.594 ambi=1 { CA:54.095 } ::sumAvg: 3.175 atom: 381 46K-HA A 3.637 ambi=1 { CA:60.945 } atom: 368 45L-HA A 4.594 ambi=1 { CA:54.095 } ::sumAvg: 4.93 atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 368 45L-HA A 4.594 ambi=1 { CA:54.095 } ::sumAvg: 4.465 atom: 421 50V-HB B 1.884 ambi=1 { CB:30.829 } atom: 368 45L-HA A 4.594 ambi=1 { CA:54.095 } ::sumAvg: 2.665 atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } atom: 368 45L-HA A 4.594 ambi=1 { CA:54.095 } ::sumAvg: 3.525 atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } atom: 368 45L-HA A 4.594 ambi=1 { CA:54.095 } :: atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } atom: 368 45L-HA A 4.594 ambi=1 { CA:54.095 } ::sumAvg: 3.885 atom: 370 45L-HB2 B 1.754 ambi=2 { CB:43.183 } atom: 381 46K-HA A 3.637 ambi=1 { CA:60.945 } :: atom: 371 45L-HB3 B 1.45 ambi=2 { CB:43.183 } atom: 381 46K-HA A 3.637 ambi=1 { CA:60.945 } ::sumAvg: 4.315 atom: 370 45L-HB2 B 1.754 ambi=2 { CB:43.183 } atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } :: atom: 370 45L-HB2 B 1.754 ambi=2 { CB:43.183 } atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } :: atom: 371 45L-HB3 B 1.45 ambi=2 { CB:43.183 } atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } :: atom: 371 45L-HB3 B 1.45 ambi=2 { CB:43.183 } atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } ::sumAvg: 4.355 atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 370 45L-HB2 B 1.754 ambi=2 { CB:43.183 } :: atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } atom: 370 45L-HB2 B 1.754 ambi=2 { CB:43.183 } :: atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 371 45L-HB3 B 1.45 ambi=2 { CB:43.183 } :: atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } atom: 371 45L-HB3 B 1.45 ambi=2 { CB:43.183 } ::sumAvg: 4.355 atom: 371 45L-HB3 B 1.45 ambi=2 { CB:43.183 } atom: 421 50V-HB B 1.884 ambi=1 { CB:30.829 } ::sumAvg: 4.235 atom: 421 50V-HB B 1.884 ambi=1 { CB:30.829 } atom: 371 45L-HB3 B 1.45 ambi=2 { CB:43.183 } ::sumAvg: 4.235 atom: 370 45L-HB2 B 1.754 ambi=2 { CB:43.183 } atom: 427 51L-H N 8.421 ambi=1 { N:117.454 } :: atom: 371 45L-HB3 B 1.45 ambi=2 { CB:43.183 } atom: 427 51L-H N 8.421 ambi=1 { N:117.454 } ::sumAvg: 4.495 atom: 370 45L-HB2 B 1.754 ambi=2 { CB:43.183 } atom: 1036 107F-QE E 6.986 ambi=3 { QCE:129.914 } :: atom: 371 45L-HB3 B 1.45 ambi=2 { CB:43.183 } atom: 1036 107F-QE E 6.986 ambi=3 { QCE:129.914 } ::sumAvg: 4.075 atom: 370 45L-HB2 B 1.754 ambi=2 { CB:43.183 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 370 45L-HB2 B 1.754 ambi=2 { CB:43.183 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } :: atom: 371 45L-HB3 B 1.45 ambi=2 { CB:43.183 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 371 45L-HB3 B 1.45 ambi=2 { CB:43.183 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 3.895 atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 370 45L-HB2 B 1.754 ambi=2 { CB:43.183 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 370 45L-HB2 B 1.754 ambi=2 { CB:43.183 } :: atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 371 45L-HB3 B 1.45 ambi=2 { CB:43.183 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 371 45L-HB3 B 1.45 ambi=2 { CB:43.183 } ::sumAvg: 3.895 atom: 370 45L-HB2 B 1.754 ambi=2 { CB:43.183 } atom: 1115 114L-HD1 D1 0.724 ambi=2 { CD1:26.03 } :: atom: 370 45L-HB2 B 1.754 ambi=2 { CB:43.183 } atom: 1116 114L-HD2 D2 0.852 ambi=2 { CD2:22.177 } :: atom: 371 45L-HB3 B 1.45 ambi=2 { CB:43.183 } atom: 1115 114L-HD1 D1 0.724 ambi=2 { CD1:26.03 } :: atom: 371 45L-HB3 B 1.45 ambi=2 { CB:43.183 } atom: 1116 114L-HD2 D2 0.852 ambi=2 { CD2:22.177 } ::sumAvg: 4.535 atom: 373 45L-HG G 1.97 ambi=1 { CG:25.894 } atom: 379 46K-H N 6.897 ambi=1 { N:121.362 } ::sumAvg: 4.595 atom: 373 45L-HG G 1.97 ambi=1 { CG:25.894 } atom: 1036 107F-QE E 6.986 ambi=3 { QCE:129.914 } ::sumAvg: 4.575 atom: 373 45L-HG G 1.97 ambi=1 { CG:25.894 } atom: 1115 114L-HD1 D1 0.724 ambi=2 { CD1:26.03 } :: atom: 373 45L-HG G 1.97 ambi=1 { CG:25.894 } atom: 1116 114L-HD2 D2 0.852 ambi=2 { CD2:22.177 } ::sumAvg: 4.39 atom: 922 96F-HZ Z 7.08 ambi=1 { CZ:129 } atom: 374 45L-HD1 D1 0.645 ambi=2 { CD1:25.757 } :: atom: 922 96F-HZ Z 7.08 ambi=1 { CZ:129 } atom: 375 45L-HD2 D2 0.554 ambi=2 { CD2:21.354 } ::sumAvg: 4.895 atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } atom: 374 45L-HD1 D1 0.645 ambi=2 { CD1:25.757 } :: atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } atom: 375 45L-HD2 D2 0.554 ambi=2 { CD2:21.354 } ::sumAvg: 4.675 atom: 1082 111L-HA A 3.607 ambi=1 { CA:57.616 } atom: 374 45L-HD1 D1 0.645 ambi=2 { CD1:25.757 } :: atom: 1082 111L-HA A 3.607 ambi=1 { CA:57.616 } atom: 375 45L-HD2 D2 0.554 ambi=2 { CD2:21.354 } ::sumAvg: 4.995 atom: 1111 114L-HB2 B 2.082 ambi=2 { CB:41.466 } atom: 374 45L-HD1 D1 0.645 ambi=2 { CD1:25.757 } :: atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } atom: 374 45L-HD1 D1 0.645 ambi=2 { CD1:25.757 } :: atom: 1111 114L-HB2 B 2.082 ambi=2 { CB:41.466 } atom: 375 45L-HD2 D2 0.554 ambi=2 { CD2:21.354 } :: atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } atom: 375 45L-HD2 D2 0.554 ambi=2 { CD2:21.354 } ::sumAvg: 4.76 atom: 1114 114L-HG G 1.978 ambi=1 { CG:26.722 } atom: 374 45L-HD1 D1 0.645 ambi=2 { CD1:25.757 } :: atom: 1114 114L-HG G 1.978 ambi=1 { CG:26.722 } atom: 375 45L-HD2 D2 0.554 ambi=2 { CD2:21.354 } ::sumAvg: 4.01 atom: 965 101L-HG G 1.619 ambi=1 { CG:27.501 } atom: 379 46K-H N 6.897 ambi=1 { N:121.362 } ::sumAvg: 4.36 atom: 381 46K-HA A 3.637 ambi=1 { CA:60.945 } atom: 397 47D-HA A 4.58 ambi=1 { CA:53.171 } ::sumAvg: 4.725 atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } atom: 381 46K-HA A 3.637 ambi=1 { CA:60.945 } :: atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } atom: 381 46K-HA A 3.637 ambi=1 { CA:60.945 } ::sumAvg: 4.63 atom: 381 46K-HA A 3.637 ambi=1 { CA:60.945 } atom: 971 102Y-H N 8.477 ambi=1 { N:119.103 } ::sumAvg: 4.71 atom: 381 46K-HA A 3.637 ambi=1 { CA:60.945 } atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } :: atom: 381 46K-HA A 3.637 ambi=1 { CA:60.945 } atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } ::sumAvg: 4.5 atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } atom: 381 46K-HA A 3.637 ambi=1 { CA:60.945 } :: atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } atom: 381 46K-HA A 3.637 ambi=1 { CA:60.945 } ::sumAvg: 4.5 atom: 978 102Y-QD D 7.224 ambi=3 { QCD:133.29 } atom: 381 46K-HA A 3.637 ambi=1 { CA:60.945 } ::sumAvg: 3.66 atom: 383 46K-HB2 B 1.996 ambi=2 { CB:33.195 } atom: 397 47D-HA A 4.58 ambi=1 { CA:53.171 } :: atom: 384 46K-HB3 B 1.752 ambi=2 { CB:33.195 } atom: 397 47D-HA A 4.58 ambi=1 { CA:53.171 } ::sumAvg: 4.265 atom: 383 46K-HB2 B 1.996 ambi=2 { CB:33.195 } atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } :: atom: 383 46K-HB2 B 1.996 ambi=2 { CB:33.195 } atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } :: atom: 384 46K-HB3 B 1.752 ambi=2 { CB:33.195 } atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } :: atom: 384 46K-HB3 B 1.752 ambi=2 { CB:33.195 } atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } ::sumAvg: 4.53 atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } atom: 383 46K-HB2 B 1.996 ambi=2 { CB:33.195 } :: atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } atom: 383 46K-HB2 B 1.996 ambi=2 { CB:33.195 } :: atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } atom: 384 46K-HB3 B 1.752 ambi=2 { CB:33.195 } :: atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } atom: 384 46K-HB3 B 1.752 ambi=2 { CB:33.195 } ::sumAvg: 4.53 atom: 386 46K-QG G 1.331 ambi=2 { CG:24.725 } atom: 397 47D-HA A 4.58 ambi=1 { CA:53.171 } ::sumAvg: 3.735 atom: 386 46K-QG G 1.331 ambi=2 { CG:24.725 } atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } ::sumAvg: 4.89 atom: 386 46K-QG G 1.331 ambi=2 { CG:24.725 } atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } :: atom: 386 46K-QG G 1.331 ambi=2 { CG:24.725 } atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } ::sumAvg: 4.47 atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } atom: 386 46K-QG G 1.331 ambi=2 { CG:24.725 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 386 46K-QG G 1.331 ambi=2 { CG:24.725 } ::sumAvg: 4.47 atom: 386 46K-QG G 1.331 ambi=2 { CG:24.725 } atom: 971 102Y-H N 8.477 ambi=1 { N:119.103 } ::sumAvg: 4.695 atom: 386 46K-QG G 1.331 ambi=2 { CG:24.725 } atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } :: atom: 386 46K-QG G 1.331 ambi=2 { CG:24.725 } atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } ::sumAvg: 3.875 atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } atom: 386 46K-QG G 1.331 ambi=2 { CG:24.725 } :: atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } atom: 386 46K-QG G 1.331 ambi=2 { CG:24.725 } ::sumAvg: 3.875 atom: 389 46K-HD2 D 1.458 ambi=2 { CD:29.421 } atom: 395 47D-H N 7.924 ambi=1 { N:110.253 } :: atom: 390 46K-HD3 D 1.528 ambi=2 { CD:29.421 } atom: 395 47D-H N 7.924 ambi=1 { N:110.253 } ::sumAvg: 4.83 atom: 973 102Y-HA A 4.046 ambi=1 { CA:62.539 } atom: 389 46K-HD2 D 1.458 ambi=2 { CD:29.421 } :: atom: 973 102Y-HA A 4.046 ambi=1 { CA:62.539 } atom: 390 46K-HD3 D 1.528 ambi=2 { CD:29.421 } ::sumAvg: 4.225 atom: 392 46K-HE2 E 2.655 ambi=2 { CE:41.634 } atom: 397 47D-HA A 4.58 ambi=1 { CA:53.171 } :: atom: 393 46K-HE3 E 2.537 ambi=2 { CE:41.634 } atom: 397 47D-HA A 4.58 ambi=1 { CA:53.171 } ::sumAvg: 4.865 atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 395 47D-H N 7.924 ambi=1 { N:110.253 } :: atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } atom: 395 47D-H N 7.924 ambi=1 { N:110.253 } ::sumAvg: 4.925 atom: 412 49V-HG1 G1 0.882 ambi=2 { CG1:20.999 } atom: 395 47D-H N 7.924 ambi=1 { N:110.253 } :: atom: 413 49V-HG2 G2 0.92 ambi=2 { CG2:23.678 } atom: 395 47D-H N 7.924 ambi=1 { N:110.253 } ::sumAvg: 4.755 atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } atom: 395 47D-H N 7.924 ambi=1 { N:110.253 } :: atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } atom: 395 47D-H N 7.924 ambi=1 { N:110.253 } ::sumAvg: 4.755 atom: 756 80I-HD1 D1 1.269 ambi=1 { CD1:14.08 } atom: 395 47D-H N 7.924 ambi=1 { N:110.253 } ::sumAvg: 4.92 atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 397 47D-HA A 4.58 ambi=1 { CA:53.171 } ::sumAvg: 4.495 atom: 412 49V-HG1 G1 0.882 ambi=2 { CG1:20.999 } atom: 397 47D-HA A 4.58 ambi=1 { CA:53.171 } :: atom: 413 49V-HG2 G2 0.92 ambi=2 { CG2:23.678 } atom: 397 47D-HA A 4.58 ambi=1 { CA:53.171 } ::sumAvg: 4.25 atom: 652 70P-HB2 B 2.243 ambi=2 { CB:33.65 } atom: 397 47D-HA A 4.58 ambi=1 { CA:53.171 } :: atom: 653 70P-HB3 B 2.104 ambi=2 { CB:33.65 } atom: 397 47D-HA A 4.58 ambi=1 { CA:53.171 } ::sumAvg: 4.875 atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } atom: 397 47D-HA A 4.58 ambi=1 { CA:53.171 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 397 47D-HA A 4.58 ambi=1 { CA:53.171 } ::sumAvg: 4.935 atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } :: atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } ::sumAvg: 3.695 atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } atom: 407 49V-H N 8.251 ambi=1 { N:122.677 } :: atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } atom: 407 49V-H N 8.251 ambi=1 { N:122.677 } ::sumAvg: 3.035 atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } atom: 411 49V-HB B 2.186 ambi=1 { CB:31.42 } :: atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } atom: 411 49V-HB B 2.186 ambi=1 { CB:31.42 } ::sumAvg: 3.8 atom: 411 49V-HB B 2.186 ambi=1 { CB:31.42 } atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } :: atom: 411 49V-HB B 2.186 ambi=1 { CB:31.42 } atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } ::sumAvg: 3.8 atom: 412 49V-HG1 G1 0.882 ambi=2 { CG1:20.999 } atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } :: atom: 413 49V-HG2 G2 0.92 ambi=2 { CG2:23.678 } atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } :: atom: 412 49V-HG1 G1 0.882 ambi=2 { CG1:20.999 } atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } :: atom: 413 49V-HG2 G2 0.92 ambi=2 { CG2:23.678 } atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } ::sumAvg: 2.545 atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } :: atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } ::sumAvg: 4.555 atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } :: atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } :: atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } :: atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } ::sumAvg: 4.52 atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } atom: 652 70P-HB2 B 2.243 ambi=2 { CB:33.65 } :: atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } atom: 653 70P-HB3 B 2.104 ambi=2 { CB:33.65 } :: atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } atom: 653 70P-HB3 B 2.104 ambi=2 { CB:33.65 } ::sumAvg: 4.435 atom: 652 70P-HB2 B 2.243 ambi=2 { CB:33.65 } atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } :: atom: 653 70P-HB3 B 2.104 ambi=2 { CB:33.65 } atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } :: atom: 653 70P-HB3 B 2.104 ambi=2 { CB:33.65 } atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } ::sumAvg: 4.435 atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } atom: 657 70P-HD2 D 3.611 ambi=2 { CD:49.408 } :: atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } atom: 658 70P-HD3 D 3.459 ambi=2 { CD:49.408 } ::sumAvg: 3.92 atom: 657 70P-HD2 D 3.611 ambi=2 { CD:49.408 } atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } :: atom: 658 70P-HD3 D 3.459 ambi=2 { CD:49.408 } atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } ::sumAvg: 3.92 atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } :: atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } ::sumAvg: 4.255 atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } :: atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } ::sumAvg: 4.255 atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } :: atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } :: atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } ::sumAvg: 4.405 atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } ::sumAvg: 4.405 atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } atom: 743 79N-HD21 D2 7.406 ambi=2 { ND2:108.666 } :: atom: 399 47D-HB2 B 3.541 ambi=2 { CB:41.306 } atom: 744 79N-HD22 D2 8.105 ambi=2 { ND2:108.666 } :: atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } atom: 743 79N-HD21 D2 7.406 ambi=2 { ND2:108.666 } :: atom: 400 47D-HB3 B 2.593 ambi=2 { CB:41.306 } atom: 744 79N-HD22 D2 8.105 ambi=2 { ND2:108.666 } ::sumAvg: 3.675 atom: 421 50V-HB B 1.884 ambi=1 { CB:30.829 } atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } ::sumAvg: 4.935 atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } :: atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } ::sumAvg: 4.87 atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } ::sumAvg: 4.235 atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 402 48G-H N 7.767 ambi=1 { N:103.674 } ::sumAvg: 3.65 atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } atom: 409 49V-HA A 3.263 ambi=1 { CA:68.053 } ::sumAvg: 4.41 atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } :: atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } ::sumAvg: 4.42 atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } :: atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } :: atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } :: atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } ::sumAvg: 2.805 atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } :: atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } ::sumAvg: 3.07 atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } :: atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } ::sumAvg: 4.34 atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 608 66V-HG1 G1 0.696 ambi=2 { CG1:19.303 } :: atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 609 66V-HG2 G2 0.773 ambi=2 { CG2:21.327 } :: atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } atom: 608 66V-HG1 G1 0.696 ambi=2 { CG1:19.303 } :: atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } atom: 609 66V-HG2 G2 0.773 ambi=2 { CG2:21.327 } ::sumAvg: 4.92 atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } ::sumAvg: 4.35 atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } ::sumAvg: 4.35 atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 736 79N-H N 7.836 ambi=1 { N:119.43 } :: atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } atom: 736 79N-H N 7.836 ambi=1 { N:119.43 } ::sumAvg: 4.58 atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 738 79N-HA A 4.547 ambi=1 { CA:55.177 } ::sumAvg: 4.49 atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 743 79N-HD21 D2 7.406 ambi=2 { ND2:108.666 } :: atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 744 79N-HD22 D2 8.105 ambi=2 { ND2:108.666 } :: atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } atom: 743 79N-HD21 D2 7.406 ambi=2 { ND2:108.666 } :: atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } atom: 744 79N-HD22 D2 8.105 ambi=2 { ND2:108.666 } ::sumAvg: 3.535 atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } :: atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } ::sumAvg: 4.76 atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } :: atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } ::sumAvg: 4.76 atom: 756 80I-HD1 D1 1.269 ambi=1 { CD1:14.08 } atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } :: atom: 756 80I-HD1 D1 1.269 ambi=1 { CD1:14.08 } atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } ::sumAvg: 3.785 atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } :: atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } :: atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } :: atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } ::sumAvg: 3.705 atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } :: atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } atom: 404 48G-HA2 A 3.582 ambi=2 { CA:48.062 } :: atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } :: atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } atom: 405 48G-HA3 A 4.246 ambi=2 { CA:48.062 } ::sumAvg: 3.705 atom: 655 70P-HG2 G 2.348 ambi=2 { CG:28.631 } atom: 407 49V-H N 8.251 ambi=1 { N:122.677 } :: atom: 656 70P-HG3 G 2.041 ambi=2 { CG:28.631 } atom: 407 49V-H N 8.251 ambi=1 { N:122.677 } ::sumAvg: 4.5 atom: 409 49V-HA A 3.263 ambi=1 { CA:68.053 } atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } :: atom: 409 49V-HA A 3.263 ambi=1 { CA:68.053 } atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } ::sumAvg: 4.995 atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } atom: 409 49V-HA A 3.263 ambi=1 { CA:68.053 } :: atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } atom: 409 49V-HA A 3.263 ambi=1 { CA:68.053 } ::sumAvg: 4.995 atom: 409 49V-HA A 3.263 ambi=1 { CA:68.053 } atom: 427 51L-H N 8.421 ambi=1 { N:117.454 } ::sumAvg: 4.35 atom: 409 49V-HA A 3.263 ambi=1 { CA:68.053 } atom: 455 53R-HG2 G 1.61 ambi=2 { CG:27.581 } :: atom: 409 49V-HA A 3.263 ambi=1 { CA:68.053 } atom: 456 53R-HG3 G 1.828 ambi=2 { CG:27.581 } ::sumAvg: 4.525 atom: 455 53R-HG2 G 1.61 ambi=2 { CG:27.581 } atom: 409 49V-HA A 3.263 ambi=1 { CA:68.053 } :: atom: 456 53R-HG3 G 1.828 ambi=2 { CG:27.581 } atom: 409 49V-HA A 3.263 ambi=1 { CA:68.053 } ::sumAvg: 4.525 atom: 629 68P-HA A 4.185 ambi=1 { CA:63.938 } atom: 409 49V-HA A 3.263 ambi=1 { CA:68.053 } ::sumAvg: 4.715 atom: 740 79N-HB2 B 2.843 ambi=2 { CB:37.819 } atom: 409 49V-HA A 3.263 ambi=1 { CA:68.053 } :: atom: 741 79N-HB3 B 3.884 ambi=2 { CB:37.819 } atom: 409 49V-HA A 3.263 ambi=1 { CA:68.053 } ::sumAvg: 3.25 atom: 411 49V-HB B 2.186 ambi=1 { CB:31.42 } atom: 427 51L-H N 8.421 ambi=1 { N:117.454 } ::sumAvg: 4.95 atom: 411 49V-HB B 2.186 ambi=1 { CB:31.42 } atom: 608 66V-HG1 G1 0.696 ambi=2 { CG1:19.303 } :: atom: 411 49V-HB B 2.186 ambi=1 { CB:31.42 } atom: 609 66V-HG2 G2 0.773 ambi=2 { CG2:21.327 } ::sumAvg: 4.755 atom: 629 68P-HA A 4.185 ambi=1 { CA:63.938 } atom: 411 49V-HB B 2.186 ambi=1 { CB:31.42 } ::sumAvg: 4.52 atom: 412 49V-HG1 G1 0.882 ambi=2 { CG1:20.999 } atom: 613 67Y-H N 9.599 ambi=1 { N:127.286 } :: atom: 413 49V-HG2 G2 0.92 ambi=2 { CG2:23.678 } atom: 613 67Y-H N 9.599 ambi=1 { N:127.286 } ::sumAvg: 4.045 atom: 412 49V-HG1 G1 0.882 ambi=2 { CG1:20.999 } atom: 615 67Y-HA A 4.823 ambi=1 { CA:55.333 } :: atom: 413 49V-HG2 G2 0.92 ambi=2 { CG2:23.678 } atom: 615 67Y-HA A 4.823 ambi=1 { CA:55.333 } ::sumAvg: 4.995 atom: 412 49V-HG1 G1 0.882 ambi=2 { CG1:20.999 } atom: 617 67Y-QB B 2.839 ambi=2 { CB:37.854 } :: atom: 413 49V-HG2 G2 0.92 ambi=2 { CG2:23.678 } atom: 617 67Y-QB B 2.839 ambi=2 { CB:37.854 } ::sumAvg: 4.055 atom: 636 68P-QD D 3.914 ambi=2 { CD:51.161 } atom: 412 49V-HG1 G1 0.882 ambi=2 { CG1:20.999 } :: atom: 636 68P-QD D 3.914 ambi=2 { CD:51.161 } atom: 413 49V-HG2 G2 0.92 ambi=2 { CG2:23.678 } ::sumAvg: 4.495 atom: 412 49V-HG1 G1 0.882 ambi=2 { CG1:20.999 } atom: 641 69E-HA A 4.579 ambi=1 { CA:53.027 } :: atom: 413 49V-HG2 G2 0.92 ambi=2 { CG2:23.678 } atom: 641 69E-HA A 4.579 ambi=1 { CA:53.027 } ::sumAvg: 4.31 atom: 412 49V-HG1 G1 0.882 ambi=2 { CG1:20.999 } atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } :: atom: 413 49V-HG2 G2 0.92 ambi=2 { CG2:23.678 } atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } ::sumAvg: 4.37 atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } atom: 412 49V-HG1 G1 0.882 ambi=2 { CG1:20.999 } :: atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } atom: 413 49V-HG2 G2 0.92 ambi=2 { CG2:23.678 } ::sumAvg: 4.37 atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } :: atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } ::sumAvg: 4.88 atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } ::sumAvg: 4.565 atom: 458 53R-HD2 D 3.176 ambi=2 { CD:43.53 } atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } :: atom: 459 53R-HD3 D 3.095 ambi=2 { CD:43.53 } atom: 417 50V-H N 8.845 ambi=1 { N:119.408 } ::sumAvg: 4.94 atom: 419 50V-HA A 3.386 ambi=1 { CA:66.826 } atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } ::sumAvg: 4.555 atom: 419 50V-HA A 3.386 ambi=1 { CA:66.826 } atom: 461 53R-HE E 7.137 ambi=1 { NE:84.234 } ::sumAvg: 4.63 atom: 421 50V-HB B 1.884 ambi=1 { CB:30.829 } atom: 429 51L-HA A 3.56 ambi=1 { CA:57.487 } ::sumAvg: 4.355 atom: 429 51L-HA A 3.56 ambi=1 { CA:57.487 } atom: 421 50V-HB B 1.884 ambi=1 { CB:30.829 } ::sumAvg: 4.355 atom: 421 50V-HB B 1.884 ambi=1 { CB:30.829 } atom: 435 51L-HD1 D1 0.622 ambi=2 { CD1:26.194 } :: atom: 421 50V-HB B 1.884 ambi=1 { CB:30.829 } atom: 436 51L-HD2 D2 0.156 ambi=2 { CD2:21.795 } ::sumAvg: 4.025 atom: 435 51L-HD1 D1 0.622 ambi=2 { CD1:26.194 } atom: 421 50V-HB B 1.884 ambi=1 { CB:30.829 } :: atom: 436 51L-HD2 D2 0.156 ambi=2 { CD2:21.795 } atom: 421 50V-HB B 1.884 ambi=1 { CB:30.829 } ::sumAvg: 4.025 atom: 452 53R-HB2 B 1.742 ambi=2 { CB:29.79 } atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } :: atom: 453 53R-HB3 B 2.021 ambi=2 { CB:29.79 } atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } :: atom: 452 53R-HB2 B 1.742 ambi=2 { CB:29.79 } atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } :: atom: 453 53R-HB3 B 2.021 ambi=2 { CB:29.79 } atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } ::sumAvg: 3.75 atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } atom: 458 53R-HD2 D 3.176 ambi=2 { CD:43.53 } :: atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } atom: 459 53R-HD3 D 3.095 ambi=2 { CD:43.53 } :: atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } atom: 458 53R-HD2 D 3.176 ambi=2 { CD:43.53 } :: atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } atom: 459 53R-HD3 D 3.095 ambi=2 { CD:43.53 } ::sumAvg: 3.755 atom: 422 50V-HG1 G1 0.566 ambi=2 { CG1:21.108 } atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } :: atom: 423 50V-HG2 G2 1.133 ambi=2 { CG2:23.105 } atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } ::sumAvg: 4.91 atom: 444 52C-HB2 B 2.446 ambi=2 { CB:27.397 } atom: 427 51L-H N 8.421 ambi=1 { N:117.454 } :: atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } atom: 427 51L-H N 8.421 ambi=1 { N:117.454 } ::sumAvg: 4.92 atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } atom: 427 51L-H N 8.421 ambi=1 { N:117.454 } :: atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } atom: 427 51L-H N 8.421 ambi=1 { N:117.454 } ::sumAvg: 4.95 atom: 429 51L-HA A 3.56 ambi=1 { CA:57.487 } atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } ::sumAvg: 4.835 atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } atom: 429 51L-HA A 3.56 ambi=1 { CA:57.487 } ::sumAvg: 4.835 atom: 429 51L-HA A 3.56 ambi=1 { CA:57.487 } atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } ::sumAvg: 4.61 atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 429 51L-HA A 3.56 ambi=1 { CA:57.487 } ::sumAvg: 4.61 atom: 429 51L-HA A 3.56 ambi=1 { CA:57.487 } atom: 790 83F-QD D 7.114 ambi=3 {attached_atom is not_assigned} ::sumAvg: 4.06 atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } :: atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } ::sumAvg: 4.335 atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } :: atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } ::sumAvg: 4.335 atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } atom: 446 52C-HG G 2.852 ambi=1 {attached_atom is not_assigned} :: atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } atom: 446 52C-HG G 2.852 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.145 atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } :: atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } :: atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } ::sumAvg: 4.11 atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } :: atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } :: atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } ::sumAvg: 4.11 atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } atom: 471 54L-HD1 D1 0.214 ambi=2 { CD1:22.858 } :: atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } atom: 472 54L-HD2 D2 0.707 ambi=2 { CD2:26.03 } ::sumAvg: 4.075 atom: 471 54L-HD1 D1 0.214 ambi=2 { CD1:22.858 } atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } :: atom: 472 54L-HD2 D2 0.707 ambi=2 { CD2:26.03 } atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } ::sumAvg: 4.075 atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } atom: 476 55L-H N 8.119 ambi=1 { N:118.269 } :: atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } atom: 476 55L-H N 8.119 ambi=1 { N:118.269 } ::sumAvg: 4.88 atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } :: atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } :: atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } ::sumAvg: 4.85 atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } :: atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } :: atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } ::sumAvg: 4.85 atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } atom: 740 79N-HB2 B 2.843 ambi=2 { CB:37.819 } :: atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } atom: 741 79N-HB3 B 3.884 ambi=2 { CB:37.819 } :: atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } atom: 740 79N-HB2 B 2.843 ambi=2 { CB:37.819 } :: atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } atom: 741 79N-HB3 B 3.884 ambi=2 { CB:37.819 } ::sumAvg: 4.86 atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } atom: 748 80I-HA A 3.636 ambi=1 { CA:66.48 } :: atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } atom: 748 80I-HA A 3.636 ambi=1 { CA:66.48 } ::sumAvg: 3.655 atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } atom: 751 80I-HG2 G2 1.268 ambi=1 { CG2:19.03 } ::sumAvg: 4.565 atom: 751 80I-HG2 G2 1.268 ambi=1 { CG2:19.03 } atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } ::sumAvg: 4.565 atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } :: atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } :: atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } :: atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } ::sumAvg: 4.325 atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } :: atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } ::sumAvg: 4.325 atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } :: atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } ::sumAvg: 4.695 atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } :: atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } ::sumAvg: 4.695 atom: 922 96F-HZ Z 7.08 ambi=1 { CZ:129 } atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } :: atom: 922 96F-HZ Z 7.08 ambi=1 { CZ:129 } atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } ::sumAvg: 4.84 atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } :: atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } :: atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } ::sumAvg: 4.65 atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } atom: 1115 114L-HD1 D1 0.724 ambi=2 { CD1:26.03 } :: atom: 431 51L-HB2 B 1.42 ambi=2 { CB:39.128 } atom: 1116 114L-HD2 D2 0.852 ambi=2 { CD2:22.177 } :: atom: 432 51L-HB3 B 0.447 ambi=2 { CB:39.128 } atom: 1116 114L-HD2 D2 0.852 ambi=2 { CD2:22.177 } ::sumAvg: 4.715 atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } ::sumAvg: 4.38 atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } atom: 471 54L-HD1 D1 0.214 ambi=2 { CD1:22.858 } :: atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } atom: 472 54L-HD2 D2 0.707 ambi=2 { CD2:26.03 } ::sumAvg: 4.875 atom: 471 54L-HD1 D1 0.214 ambi=2 { CD1:22.858 } atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } :: atom: 472 54L-HD2 D2 0.707 ambi=2 { CD2:26.03 } atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } ::sumAvg: 4.875 atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } :: atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } ::sumAvg: 4.555 atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } ::sumAvg: 4.555 atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } atom: 922 96F-HZ Z 7.08 ambi=1 { CZ:129 } ::sumAvg: 4.985 atom: 922 96F-HZ Z 7.08 ambi=1 { CZ:129 } atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } ::sumAvg: 4.985 atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } :: atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } ::sumAvg: 3.48 atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } atom: 1115 114L-HD1 D1 0.724 ambi=2 { CD1:26.03 } :: atom: 434 51L-HG G 1.634 ambi=1 { CG:25.706 } atom: 1116 114L-HD2 D2 0.852 ambi=2 { CD2:22.177 } ::sumAvg: 4.73 atom: 435 51L-HD1 D1 0.622 ambi=2 { CD1:26.194 } atom: 463 54L-H N 8.942 ambi=1 { N:121.118 } :: atom: 436 51L-HD2 D2 0.156 ambi=2 { CD2:21.795 } atom: 463 54L-H N 8.942 ambi=1 { N:121.118 } ::sumAvg: 4.86 atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 435 51L-HD1 D1 0.622 ambi=2 { CD1:26.194 } :: atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 436 51L-HD2 D2 0.156 ambi=2 { CD2:21.795 } ::sumAvg: 4.73 atom: 435 51L-HD1 D1 0.622 ambi=2 { CD1:26.194 } atom: 746 80I-H N 8.373 ambi=1 { N:119.469 } :: atom: 436 51L-HD2 D2 0.156 ambi=2 { CD2:21.795 } atom: 746 80I-H N 8.373 ambi=1 { N:119.469 } ::sumAvg: 4.695 atom: 435 51L-HD1 D1 0.622 ambi=2 { CD1:26.194 } atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } :: atom: 436 51L-HD2 D2 0.156 ambi=2 { CD2:21.795 } atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } ::sumAvg: 4.51 atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } atom: 435 51L-HD1 D1 0.622 ambi=2 { CD1:26.194 } :: atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } atom: 436 51L-HD2 D2 0.156 ambi=2 { CD2:21.795 } ::sumAvg: 4.51 atom: 435 51L-HD1 D1 0.622 ambi=2 { CD1:26.194 } atom: 784 83F-H N 7.844 ambi=1 { N:121.118 } :: atom: 436 51L-HD2 D2 0.156 ambi=2 { CD2:21.795 } atom: 784 83F-H N 7.844 ambi=1 { N:121.118 } ::sumAvg: 4.97 atom: 435 51L-HD1 D1 0.622 ambi=2 { CD1:26.194 } atom: 800 84L-HG G 1.887 ambi=1 { CG:26.06 } :: atom: 436 51L-HD2 D2 0.156 ambi=2 { CD2:21.795 } atom: 800 84L-HG G 1.887 ambi=1 { CG:26.06 } ::sumAvg: 4.64 atom: 435 51L-HD1 D1 0.622 ambi=2 { CD1:26.194 } atom: 918 96F-QD D 7.273 ambi=3 { QCD:133.905 } :: atom: 436 51L-HD2 D2 0.156 ambi=2 { CD2:21.795 } atom: 918 96F-QD D 7.273 ambi=3 { QCD:133.905 } ::sumAvg: 4.965 atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } atom: 435 51L-HD1 D1 0.622 ambi=2 { CD1:26.194 } :: atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } atom: 435 51L-HD1 D1 0.622 ambi=2 { CD1:26.194 } :: atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } atom: 436 51L-HD2 D2 0.156 ambi=2 { CD2:21.795 } :: atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } atom: 436 51L-HD2 D2 0.156 ambi=2 { CD2:21.795 } ::sumAvg: 4.355 atom: 1147 117L-HD2 D2 1.133 ambi=2 { CD2:26.076 } atom: 435 51L-HD1 D1 0.622 ambi=2 { CD1:26.194 } :: atom: 1146 117L-HD1 D1 0.909 ambi=2 { CD1:23.923 } atom: 436 51L-HD2 D2 0.156 ambi=2 { CD2:21.795 } :: atom: 1147 117L-HD2 D2 1.133 ambi=2 { CD2:26.076 } atom: 436 51L-HD2 D2 0.156 ambi=2 { CD2:21.795 } ::sumAvg: 4.175 atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } :: atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } ::sumAvg: 4.835 atom: 740 79N-HB2 B 2.843 ambi=2 { CB:37.819 } atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } :: atom: 741 79N-HB3 B 3.884 ambi=2 { CB:37.819 } atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } ::sumAvg: 4.345 atom: 788 83F-HB2 B 3.515 ambi=2 { CB:38.116 } atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } :: atom: 789 83F-HB3 B 3.209 ambi=2 { CB:38.116 } atom: 440 52C-H N 7.571 ambi=1 { N:116.463 } ::sumAvg: 3.88 atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } atom: 463 54L-H N 8.942 ambi=1 { N:121.118 } ::sumAvg: 4.465 atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } :: atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } ::sumAvg: 4.93 atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } :: atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } ::sumAvg: 4.93 atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } atom: 489 56E-H N 7.621 ambi=1 { N:116.708 } ::sumAvg: 4.145 atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } atom: 496 56E-HG2 G 2.245 ambi=2 { CG:35 } :: atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } atom: 497 56E-HG3 G 2.315 ambi=2 { CG:35 } ::sumAvg: 4.225 atom: 496 56E-HG2 G 2.245 ambi=2 { CG:35 } atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } :: atom: 497 56E-HG3 G 2.315 ambi=2 { CG:35 } atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } ::sumAvg: 4.225 atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } ::sumAvg: 4.725 atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } ::sumAvg: 4.725 atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } atom: 784 83F-H N 7.844 ambi=1 { N:121.118 } ::sumAvg: 4.89 atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } atom: 788 83F-HB2 B 3.515 ambi=2 { CB:38.116 } :: atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } atom: 789 83F-HB3 B 3.209 ambi=2 { CB:38.116 } ::sumAvg: 3.39 atom: 788 83F-HB2 B 3.515 ambi=2 { CB:38.116 } atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } :: atom: 789 83F-HB3 B 3.209 ambi=2 { CB:38.116 } atom: 442 52C-HA A 4.22 ambi=1 { CA:65.816 } ::sumAvg: 3.39 atom: 444 52C-HB2 B 2.446 ambi=2 { CB:27.397 } atom: 450 53R-HA A 3.888 ambi=1 { CA:59.205 } :: atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } atom: 450 53R-HA A 3.888 ambi=1 { CA:59.205 } ::sumAvg: 4.325 atom: 444 52C-HB2 B 2.446 ambi=2 { CB:27.397 } atom: 452 53R-HB2 B 1.742 ambi=2 { CB:29.79 } :: atom: 444 52C-HB2 B 2.446 ambi=2 { CB:27.397 } atom: 453 53R-HB3 B 2.021 ambi=2 { CB:29.79 } :: atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } atom: 452 53R-HB2 B 1.742 ambi=2 { CB:29.79 } :: atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } atom: 453 53R-HB3 B 2.021 ambi=2 { CB:29.79 } ::sumAvg: 4.84 atom: 444 52C-HB2 B 2.446 ambi=2 { CB:27.397 } atom: 463 54L-H N 8.942 ambi=1 { N:121.118 } :: atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } atom: 463 54L-H N 8.942 ambi=1 { N:121.118 } ::sumAvg: 4.905 atom: 444 52C-HB2 B 2.446 ambi=2 { CB:27.397 } atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } :: atom: 444 52C-HB2 B 2.446 ambi=2 { CB:27.397 } atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } :: atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } :: atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } ::sumAvg: 4.98 atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } atom: 444 52C-HB2 B 2.446 ambi=2 { CB:27.397 } :: atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } atom: 444 52C-HB2 B 2.446 ambi=2 { CB:27.397 } :: atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } :: atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } ::sumAvg: 4.98 atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } atom: 496 56E-HG2 G 2.245 ambi=2 { CG:35 } :: atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } atom: 497 56E-HG3 G 2.315 ambi=2 { CG:35 } ::sumAvg: 4.115 atom: 496 56E-HG2 G 2.245 ambi=2 { CG:35 } atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } :: atom: 497 56E-HG3 G 2.315 ambi=2 { CG:35 } atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } ::sumAvg: 4.115 atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } atom: 568 63I-HB B 2.064 ambi=1 { CB:36.257 } ::sumAvg: 4.075 atom: 568 63I-HB B 2.064 ambi=1 { CB:36.257 } atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } ::sumAvg: 4.075 atom: 572 63I-HG12 G1 1.602 ambi=2 { CG1:25.839 } atom: 444 52C-HB2 B 2.446 ambi=2 { CB:27.397 } :: atom: 573 63I-HG13 G1 1.821 ambi=2 { CG1:25.839 } atom: 444 52C-HB2 B 2.446 ambi=2 { CB:27.397 } :: atom: 572 63I-HG12 G1 1.602 ambi=2 { CG1:25.839 } atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } :: atom: 573 63I-HG13 G1 1.821 ambi=2 { CG1:25.839 } atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } ::sumAvg: 2.485 atom: 444 52C-HB2 B 2.446 ambi=2 { CB:27.397 } atom: 607 66V-HB B 1.748 ambi=1 { CB:35.643 } :: atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } atom: 607 66V-HB B 1.748 ambi=1 { CB:35.643 } ::sumAvg: 3.075 atom: 444 52C-HB2 B 2.446 ambi=2 { CB:27.397 } atom: 741 79N-HB3 B 3.884 ambi=2 { CB:37.819 } :: atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } atom: 741 79N-HB3 B 3.884 ambi=2 { CB:37.819 } ::sumAvg: 4.485 atom: 741 79N-HB3 B 3.884 ambi=2 { CB:37.819 } atom: 444 52C-HB2 B 2.446 ambi=2 { CB:27.397 } :: atom: 741 79N-HB3 B 3.884 ambi=2 { CB:37.819 } atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } ::sumAvg: 4.485 atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } ::sumAvg: 4.75 atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } atom: 445 52C-HB3 B 3.116 ambi=2 { CB:27.397 } ::sumAvg: 4.75 atom: 572 63I-HG12 G1 1.602 ambi=2 { CG1:25.839 } atom: 446 52C-HG G 2.852 ambi=1 {attached_atom is not_assigned} :: atom: 573 63I-HG13 G1 1.821 ambi=2 { CG1:25.839 } atom: 446 52C-HG G 2.852 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.45 atom: 607 66V-HB B 1.748 ambi=1 { CB:35.643 } atom: 446 52C-HG G 2.852 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.94 atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } atom: 446 52C-HG G 2.852 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.72 atom: 788 83F-HB2 B 3.515 ambi=2 { CB:38.116 } atom: 446 52C-HG G 2.852 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.44 atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } atom: 448 53R-H N 8.542 ambi=1 { N:120.08 } :: atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } atom: 448 53R-H N 8.542 ambi=1 { N:120.08 } ::sumAvg: 4.805 atom: 496 56E-HG2 G 2.245 ambi=2 { CG:35 } atom: 448 53R-H N 8.542 ambi=1 { N:120.08 } :: atom: 497 56E-HG3 G 2.315 ambi=2 { CG:35 } atom: 448 53R-H N 8.542 ambi=1 { N:120.08 } ::sumAvg: 4.935 atom: 572 63I-HG12 G1 1.602 ambi=2 { CG1:25.839 } atom: 448 53R-H N 8.542 ambi=1 { N:120.08 } :: atom: 573 63I-HG13 G1 1.821 ambi=2 { CG1:25.839 } atom: 448 53R-H N 8.542 ambi=1 { N:120.08 } ::sumAvg: 4.92 atom: 572 63I-HG12 G1 1.602 ambi=2 { CG1:25.839 } atom: 450 53R-HA A 3.888 ambi=1 { CA:59.205 } :: atom: 573 63I-HG13 G1 1.821 ambi=2 { CG1:25.839 } atom: 450 53R-HA A 3.888 ambi=1 { CA:59.205 } ::sumAvg: 4.91 atom: 452 53R-HB2 B 1.742 ambi=2 { CB:29.79 } atom: 461 53R-HE E 7.137 ambi=1 { NE:84.234 } :: atom: 453 53R-HB3 B 2.021 ambi=2 { CB:29.79 } atom: 461 53R-HE E 7.137 ambi=1 { NE:84.234 } ::sumAvg: 4.27 atom: 452 53R-HB2 B 1.742 ambi=2 { CB:29.79 } atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } :: atom: 453 53R-HB3 B 2.021 ambi=2 { CB:29.79 } atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } ::sumAvg: 4.255 atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } atom: 452 53R-HB2 B 1.742 ambi=2 { CB:29.79 } :: atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } atom: 453 53R-HB3 B 2.021 ambi=2 { CB:29.79 } ::sumAvg: 4.255 atom: 452 53R-HB2 B 1.742 ambi=2 { CB:29.79 } atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } :: atom: 452 53R-HB2 B 1.742 ambi=2 { CB:29.79 } atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } :: atom: 453 53R-HB3 B 2.021 ambi=2 { CB:29.79 } atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } ::sumAvg: 4.395 atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } atom: 452 53R-HB2 B 1.742 ambi=2 { CB:29.79 } :: atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } atom: 452 53R-HB2 B 1.742 ambi=2 { CB:29.79 } :: atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } atom: 453 53R-HB3 B 2.021 ambi=2 { CB:29.79 } ::sumAvg: 4.395 atom: 509 57R-HD2 D 3.315 ambi=2 { CD:41.832 } atom: 452 53R-HB2 B 1.742 ambi=2 { CB:29.79 } :: atom: 510 57R-HD3 D 3.124 ambi=2 { CD:41.832 } atom: 452 53R-HB2 B 1.742 ambi=2 { CB:29.79 } :: atom: 509 57R-HD2 D 3.315 ambi=2 { CD:41.832 } atom: 453 53R-HB3 B 2.021 ambi=2 { CB:29.79 } :: atom: 510 57R-HD3 D 3.124 ambi=2 { CD:41.832 } atom: 453 53R-HB3 B 2.021 ambi=2 { CB:29.79 } ::sumAvg: 4.63 atom: 455 53R-HG2 G 1.61 ambi=2 { CG:27.581 } atom: 608 66V-HG1 G1 0.696 ambi=2 { CG1:19.303 } :: atom: 455 53R-HG2 G 1.61 ambi=2 { CG:27.581 } atom: 609 66V-HG2 G2 0.773 ambi=2 { CG2:21.327 } :: atom: 456 53R-HG3 G 1.828 ambi=2 { CG:27.581 } atom: 608 66V-HG1 G1 0.696 ambi=2 { CG1:19.303 } :: atom: 456 53R-HG3 G 1.828 ambi=2 { CG:27.581 } atom: 609 66V-HG2 G2 0.773 ambi=2 { CG2:21.327 } ::sumAvg: 4.385 atom: 458 53R-HD2 D 3.176 ambi=2 { CD:43.53 } atom: 463 54L-H N 8.942 ambi=1 { N:121.118 } :: atom: 459 53R-HD3 D 3.095 ambi=2 { CD:43.53 } atom: 463 54L-H N 8.942 ambi=1 { N:121.118 } ::sumAvg: 4.91 atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } atom: 506 57R-HG2 G 1.58 ambi=2 { CG:27.206 } :: atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } atom: 507 57R-HG3 G 1.467 ambi=2 { CG:27.206 } ::sumAvg: 3.795 atom: 506 57R-HG2 G 1.58 ambi=2 { CG:27.206 } atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } :: atom: 507 57R-HG3 G 1.467 ambi=2 { CG:27.206 } atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } ::sumAvg: 3.795 atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } atom: 509 57R-HD2 D 3.315 ambi=2 { CD:41.832 } :: atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } atom: 510 57R-HD3 D 3.124 ambi=2 { CD:41.832 } ::sumAvg: 4.89 atom: 509 57R-HD2 D 3.315 ambi=2 { CD:41.832 } atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } :: atom: 510 57R-HD3 D 3.124 ambi=2 { CD:41.832 } atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } ::sumAvg: 4.89 atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } atom: 514 58L-H N 7.722 ambi=1 { N:117.747 } ::sumAvg: 4.745 atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } ::sumAvg: 4.425 atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } ::sumAvg: 4.425 atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } :: atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } ::sumAvg: 4.755 atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } :: atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } atom: 465 54L-HA A 3.746 ambi=1 { CA:57.776 } ::sumAvg: 4.755 atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } atom: 478 55L-HA A 4.056 ambi=1 { CA:57.732 } :: atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } atom: 478 55L-HA A 4.056 ambi=1 { CA:57.732 } ::sumAvg: 4.355 atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } :: atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } :: atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } ::sumAvg: 4.1 atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } atom: 489 56E-H N 7.621 ambi=1 { N:116.708 } :: atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } atom: 489 56E-H N 7.621 ambi=1 { N:116.708 } ::sumAvg: 4.86 atom: 467 54L-HB2 B 2.33 ambi=2 { CB:42.102 } atom: 790 83F-QD D 7.114 ambi=3 {attached_atom is not_assigned} :: atom: 468 54L-HB3 B 1.154 ambi=2 { CB:42.102 } atom: 790 83F-QD D 7.114 ambi=3 {attached_atom is not_assigned} ::sumAvg: 3.84 atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 478 55L-HA A 4.056 ambi=1 { CA:57.732 } ::sumAvg: 3.53 atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } :: atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } ::sumAvg: 4.43 atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } :: atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } ::sumAvg: 4.43 atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 485 55L-HD2 D2 0.848 ambi=2 { CD2:26.085 } ::sumAvg: 4.565 atom: 485 55L-HD2 D2 0.848 ambi=2 { CD2:26.085 } atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } ::sumAvg: 4.565 atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 503 57R-HB2 B 2.072 ambi=2 { CB:29.153 } :: atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 504 57R-HB3 B 1.813 ambi=2 { CB:29.153 } ::sumAvg: 4.97 atom: 503 57R-HB2 B 2.072 ambi=2 { CB:29.153 } atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } :: atom: 504 57R-HB3 B 1.813 ambi=2 { CB:29.153 } atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } ::sumAvg: 4.97 atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 518 58L-HB2 B 1.871 ambi=2 { CB:43.515 } ::sumAvg: 4.955 atom: 518 58L-HB2 B 1.871 ambi=2 { CB:43.515 } atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } ::sumAvg: 4.955 atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } ::sumAvg: 3.845 atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } ::sumAvg: 3.845 atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 790 83F-QD D 7.114 ambi=3 {attached_atom is not_assigned} ::sumAvg: 4.905 atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } atom: 1145 117L-HG G 1.763 ambi=1 { CG:27.103 } ::sumAvg: 4.38 atom: 1145 117L-HG G 1.763 ambi=1 { CG:27.103 } atom: 470 54L-HG G 1.283 ambi=1 { CG:26.772 } ::sumAvg: 4.38 atom: 471 54L-HD1 D1 0.214 ambi=2 { CD1:22.858 } atom: 478 55L-HA A 4.056 ambi=1 { CA:57.732 } :: atom: 472 54L-HD2 D2 0.707 ambi=2 { CD2:26.03 } atom: 478 55L-HA A 4.056 ambi=1 { CA:57.732 } ::sumAvg: 4.505 atom: 1145 117L-HG G 1.763 ambi=1 { CG:27.103 } atom: 471 54L-HD1 D1 0.214 ambi=2 { CD1:22.858 } :: atom: 1145 117L-HG G 1.763 ambi=1 { CG:27.103 } atom: 472 54L-HD2 D2 0.707 ambi=2 { CD2:26.03 } ::sumAvg: 4.07 atom: 496 56E-HG2 G 2.245 ambi=2 { CG:35 } atom: 476 55L-H N 8.119 ambi=1 { N:118.269 } :: atom: 497 56E-HG3 G 2.315 ambi=2 { CG:35 } atom: 476 55L-H N 8.119 ambi=1 { N:118.269 } ::sumAvg: 4.66 atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } atom: 476 55L-H N 8.119 ambi=1 { N:118.269 } :: atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } atom: 476 55L-H N 8.119 ambi=1 { N:118.269 } ::sumAvg: 4.98 atom: 572 63I-HG12 G1 1.602 ambi=2 { CG1:25.839 } atom: 476 55L-H N 8.119 ambi=1 { N:118.269 } :: atom: 573 63I-HG13 G1 1.821 ambi=2 { CG1:25.839 } atom: 476 55L-H N 8.119 ambi=1 { N:118.269 } ::sumAvg: 4.815 atom: 478 55L-HA A 4.056 ambi=1 { CA:57.732 } atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } ::sumAvg: 3.8 atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } atom: 478 55L-HA A 4.056 ambi=1 { CA:57.732 } ::sumAvg: 3.8 atom: 478 55L-HA A 4.056 ambi=1 { CA:57.732 } atom: 531 59L-HB2 B 1.624 ambi=2 { CB:43.202 } :: atom: 478 55L-HA A 4.056 ambi=1 { CA:57.732 } atom: 532 59L-HB3 B 1.348 ambi=2 { CB:43.202 } ::sumAvg: 4.325 atom: 531 59L-HB2 B 1.624 ambi=2 { CB:43.202 } atom: 478 55L-HA A 4.056 ambi=1 { CA:57.732 } :: atom: 532 59L-HB3 B 1.348 ambi=2 { CB:43.202 } atom: 478 55L-HA A 4.056 ambi=1 { CA:57.732 } ::sumAvg: 4.325 atom: 534 59L-HG G 1.402 ambi=1 { CG:26.194 } atom: 478 55L-HA A 4.056 ambi=1 { CA:57.732 } ::sumAvg: 4.78 atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } atom: 491 56E-HA A 4.167 ambi=1 { CA:57.27 } :: atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } atom: 491 56E-HA A 4.167 ambi=1 { CA:57.27 } ::sumAvg: 4.325 atom: 491 56E-HA A 4.167 ambi=1 { CA:57.27 } atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } :: atom: 491 56E-HA A 4.167 ambi=1 { CA:57.27 } atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } ::sumAvg: 4.325 atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } atom: 496 56E-HG2 G 2.245 ambi=2 { CG:35 } :: atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } atom: 497 56E-HG3 G 2.315 ambi=2 { CG:35 } ::sumAvg: 3.59 atom: 496 56E-HG2 G 2.245 ambi=2 { CG:35 } atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } :: atom: 497 56E-HG3 G 2.315 ambi=2 { CG:35 } atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } ::sumAvg: 3.59 atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } :: atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } :: atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } :: atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } ::sumAvg: 4.93 atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } :: atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } :: atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } :: atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } ::sumAvg: 4.93 atom: 560 62T-HB B 3.915 ambi=1 { CB:69.569 } atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } :: atom: 560 62T-HB B 3.915 ambi=1 { CB:69.569 } atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } ::sumAvg: 4.3 atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } atom: 561 62T-HG2 G2 1.107 ambi=1 { CG2:22.105 } :: atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } atom: 561 62T-HG2 G2 1.107 ambi=1 { CG2:22.105 } ::sumAvg: 4.83 atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } atom: 564 63I-H N 8.436 ambi=1 { N:121.79 } :: atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } atom: 564 63I-H N 8.436 ambi=1 { N:121.79 } ::sumAvg: 4.825 atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } :: atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } ::sumAvg: 3.66 atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } :: atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } ::sumAvg: 3.66 atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } atom: 788 83F-HB2 B 3.515 ambi=2 { CB:38.116 } :: atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } atom: 789 83F-HB3 B 3.209 ambi=2 { CB:38.116 } :: atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } atom: 788 83F-HB2 B 3.515 ambi=2 { CB:38.116 } :: atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } atom: 789 83F-HB3 B 3.209 ambi=2 { CB:38.116 } ::sumAvg: 4.305 atom: 788 83F-HB2 B 3.515 ambi=2 { CB:38.116 } atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } :: atom: 789 83F-HB3 B 3.209 ambi=2 { CB:38.116 } atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } :: atom: 788 83F-HB2 B 3.515 ambi=2 { CB:38.116 } atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } :: atom: 789 83F-HB3 B 3.209 ambi=2 { CB:38.116 } atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } ::sumAvg: 4.305 atom: 480 55L-HB2 B 1.999 ambi=2 { CB:41.364 } atom: 832 87C-HG G 1.315 ambi=1 {attached_atom is not_assigned} :: atom: 481 55L-HB3 B 1.718 ambi=2 { CB:41.364 } atom: 832 87C-HG G 1.315 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.445 atom: 483 55L-HG G 1.883 ambi=1 { CG:26.993 } atom: 489 56E-H N 7.621 ambi=1 { N:116.708 } ::sumAvg: 4.065 atom: 491 56E-HA A 4.167 ambi=1 { CA:57.27 } atom: 483 55L-HG G 1.883 ambi=1 { CG:26.993 } ::sumAvg: 3.995 atom: 483 55L-HG G 1.883 ambi=1 { CG:26.993 } atom: 497 56E-HG3 G 2.315 ambi=2 { CG:35 } ::sumAvg: 4.695 atom: 497 56E-HG3 G 2.315 ambi=2 { CG:35 } atom: 483 55L-HG G 1.883 ambi=1 { CG:26.993 } ::sumAvg: 4.695 atom: 483 55L-HG G 1.883 ambi=1 { CG:26.993 } atom: 527 59L-H N 8.667 ambi=1 { N:119.714 } ::sumAvg: 3.905 atom: 483 55L-HG G 1.883 ambi=1 { CG:26.993 } atom: 534 59L-HG G 1.402 ambi=1 { CG:26.194 } ::sumAvg: 4.6 atom: 483 55L-HG G 1.883 ambi=1 { CG:26.993 } atom: 556 62T-H N 8.327 ambi=1 { N:116.843 } ::sumAvg: 4.495 atom: 483 55L-HG G 1.883 ambi=1 { CG:26.993 } atom: 564 63I-H N 8.436 ambi=1 { N:121.79 } ::sumAvg: 4.405 atom: 574 63I-HD1 D1 0.941 ambi=1 { CD1:10.867 } atom: 483 55L-HG G 1.883 ambi=1 { CG:26.993 } ::sumAvg: 3.64 atom: 483 55L-HG G 1.883 ambi=1 { CG:26.993 } atom: 823 86G-HA2 A 3.405 ambi=2 { CA:47.052 } :: atom: 483 55L-HG G 1.883 ambi=1 { CG:26.993 } atom: 824 86G-HA3 A 3.72 ambi=2 { CA:47.052 } ::sumAvg: 4.26 atom: 823 86G-HA2 A 3.405 ambi=2 { CA:47.052 } atom: 483 55L-HG G 1.883 ambi=1 { CG:26.993 } :: atom: 824 86G-HA3 A 3.72 ambi=2 { CA:47.052 } atom: 483 55L-HG G 1.883 ambi=1 { CG:26.993 } ::sumAvg: 4.26 atom: 484 55L-HD1 D1 0.935 ambi=2 { CD1:23.762 } atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } :: atom: 485 55L-HD2 D2 0.848 ambi=2 { CD2:26.085 } atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } ::sumAvg: 4.65 atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } atom: 484 55L-HD1 D1 0.935 ambi=2 { CD1:23.762 } :: atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } atom: 485 55L-HD2 D2 0.848 ambi=2 { CD2:26.085 } ::sumAvg: 4.65 atom: 484 55L-HD1 D1 0.935 ambi=2 { CD1:23.762 } atom: 564 63I-H N 8.436 ambi=1 { N:121.79 } :: atom: 485 55L-HD2 D2 0.848 ambi=2 { CD2:26.085 } atom: 564 63I-H N 8.436 ambi=1 { N:121.79 } ::sumAvg: 3.9 atom: 484 55L-HD1 D1 0.935 ambi=2 { CD1:23.762 } atom: 784 83F-H N 7.844 ambi=1 { N:121.118 } :: atom: 485 55L-HD2 D2 0.848 ambi=2 { CD2:26.085 } atom: 784 83F-H N 7.844 ambi=1 { N:121.118 } ::sumAvg: 4.57 atom: 484 55L-HD1 D1 0.935 ambi=2 { CD1:23.762 } atom: 788 83F-HB2 B 3.515 ambi=2 { CB:38.116 } :: atom: 484 55L-HD1 D1 0.935 ambi=2 { CD1:23.762 } atom: 789 83F-HB3 B 3.209 ambi=2 { CB:38.116 } :: atom: 485 55L-HD2 D2 0.848 ambi=2 { CD2:26.085 } atom: 788 83F-HB2 B 3.515 ambi=2 { CB:38.116 } :: atom: 485 55L-HD2 D2 0.848 ambi=2 { CD2:26.085 } atom: 789 83F-HB3 B 3.209 ambi=2 { CB:38.116 } ::sumAvg: 3.995 atom: 484 55L-HD1 D1 0.935 ambi=2 { CD1:23.762 } atom: 806 85R-H N 8.747 ambi=1 { N:122.767 } :: atom: 485 55L-HD2 D2 0.848 ambi=2 { CD2:26.085 } atom: 806 85R-H N 8.747 ambi=1 { N:122.767 } ::sumAvg: 4.925 atom: 484 55L-HD1 D1 0.935 ambi=2 { CD1:23.762 } atom: 810 85R-QB B 1.946 ambi=2 { CB:29.169 } :: atom: 485 55L-HD2 D2 0.848 ambi=2 { CD2:26.085 } atom: 810 85R-QB B 1.946 ambi=2 { CB:29.169 } ::sumAvg: 4.575 atom: 484 55L-HD1 D1 0.935 ambi=2 { CD1:23.762 } atom: 834 88G-H N 7.858 ambi=1 { N:106.363 } :: atom: 485 55L-HD2 D2 0.848 ambi=2 { CD2:26.085 } atom: 834 88G-H N 7.858 ambi=1 { N:106.363 } ::sumAvg: 4.95 atom: 484 55L-HD1 D1 0.935 ambi=2 { CD1:23.762 } atom: 859 91L-HG G 1.489 ambi=1 { CG:26.381 } :: atom: 485 55L-HD2 D2 0.848 ambi=2 { CD2:26.085 } atom: 859 91L-HG G 1.489 ambi=1 { CG:26.381 } ::sumAvg: 4.315 atom: 491 56E-HA A 4.167 ambi=1 { CA:57.27 } atom: 514 58L-H N 7.722 ambi=1 { N:117.747 } ::sumAvg: 4.17 atom: 493 56E-HB2 B 2.04 ambi=2 { CB:29.529 } atom: 541 60P-HA A 4.468 ambi=1 { CA:63.386 } :: atom: 494 56E-HB3 B 1.793 ambi=2 { CB:29.529 } atom: 541 60P-HA A 4.468 ambi=1 { CA:63.386 } ::sumAvg: 3.65 atom: 493 56E-HB2 B 2.04 ambi=2 { CB:29.529 } atom: 551 61G-H N 10.087 ambi=1 { N:113.118 } :: atom: 494 56E-HB3 B 1.793 ambi=2 { CB:29.529 } atom: 551 61G-H N 10.087 ambi=1 { N:113.118 } ::sumAvg: 3.295 atom: 553 61G-HA2 A 3.793 ambi=2 { CA:44.892 } atom: 493 56E-HB2 B 2.04 ambi=2 { CB:29.529 } :: atom: 554 61G-HA3 A 4.192 ambi=2 { CA:44.892 } atom: 493 56E-HB2 B 2.04 ambi=2 { CB:29.529 } :: atom: 553 61G-HA2 A 3.793 ambi=2 { CA:44.892 } atom: 494 56E-HB3 B 1.793 ambi=2 { CB:29.529 } :: atom: 554 61G-HA3 A 4.192 ambi=2 { CA:44.892 } atom: 494 56E-HB3 B 1.793 ambi=2 { CB:29.529 } ::sumAvg: 4.805 atom: 496 56E-HG2 G 2.245 ambi=2 { CG:35 } atom: 541 60P-HA A 4.468 ambi=1 { CA:63.386 } :: atom: 497 56E-HG3 G 2.315 ambi=2 { CG:35 } atom: 541 60P-HA A 4.468 ambi=1 { CA:63.386 } ::sumAvg: 4.745 atom: 496 56E-HG2 G 2.245 ambi=2 { CG:35 } atom: 551 61G-H N 10.087 ambi=1 { N:113.118 } :: atom: 497 56E-HG3 G 2.315 ambi=2 { CG:35 } atom: 551 61G-H N 10.087 ambi=1 { N:113.118 } ::sumAvg: 3.57 atom: 553 61G-HA2 A 3.793 ambi=2 { CA:44.892 } atom: 496 56E-HG2 G 2.245 ambi=2 { CG:35 } :: atom: 554 61G-HA3 A 4.192 ambi=2 { CA:44.892 } atom: 496 56E-HG2 G 2.245 ambi=2 { CG:35 } :: atom: 553 61G-HA2 A 3.793 ambi=2 { CA:44.892 } atom: 497 56E-HG3 G 2.315 ambi=2 { CG:35 } :: atom: 554 61G-HA3 A 4.192 ambi=2 { CA:44.892 } atom: 497 56E-HG3 G 2.315 ambi=2 { CG:35 } ::sumAvg: 4.33 atom: 496 56E-HG2 G 2.245 ambi=2 { CG:35 } atom: 556 62T-H N 8.327 ambi=1 { N:116.843 } :: atom: 497 56E-HG3 G 2.315 ambi=2 { CG:35 } atom: 556 62T-H N 8.327 ambi=1 { N:116.843 } ::sumAvg: 4.005 atom: 560 62T-HB B 3.915 ambi=1 { CB:69.569 } atom: 496 56E-HG2 G 2.245 ambi=2 { CG:35 } :: atom: 560 62T-HB B 3.915 ambi=1 { CB:69.569 } atom: 497 56E-HG3 G 2.315 ambi=2 { CG:35 } ::sumAvg: 4.785 atom: 572 63I-HG12 G1 1.602 ambi=2 { CG1:25.839 } atom: 496 56E-HG2 G 2.245 ambi=2 { CG:35 } :: atom: 573 63I-HG13 G1 1.821 ambi=2 { CG1:25.839 } atom: 496 56E-HG2 G 2.245 ambi=2 { CG:35 } :: atom: 572 63I-HG12 G1 1.602 ambi=2 { CG1:25.839 } atom: 497 56E-HG3 G 2.315 ambi=2 { CG:35 } :: atom: 573 63I-HG13 G1 1.821 ambi=2 { CG1:25.839 } atom: 497 56E-HG3 G 2.315 ambi=2 { CG:35 } ::sumAvg: 2.445 atom: 518 58L-HB2 B 1.871 ambi=2 { CB:43.515 } atom: 499 57R-H N 7.593 ambi=1 { N:117.239 } :: atom: 519 58L-HB3 B 1.487 ambi=2 { CB:43.515 } atom: 499 57R-H N 7.593 ambi=1 { N:117.239 } ::sumAvg: 4.79 atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } atom: 499 57R-H N 7.593 ambi=1 { N:117.239 } ::sumAvg: 4.045 atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } atom: 499 57R-H N 7.593 ambi=1 { N:117.239 } :: atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } atom: 499 57R-H N 7.593 ambi=1 { N:117.239 } ::sumAvg: 4.965 atom: 548 60P-HD2 D 3.55 ambi=2 { CD:49.631 } atom: 501 57R-HA A 4.112 ambi=1 { CA:56.722 } :: atom: 549 60P-HD3 D 3.338 ambi=2 { CD:49.631 } atom: 501 57R-HA A 4.112 ambi=1 { CA:56.722 } ::sumAvg: 4.815 atom: 503 57R-HB2 B 2.072 ambi=2 { CB:29.153 } atom: 512 57R-HE E 7.264 ambi=1 { NE:84.118 } :: atom: 504 57R-HB3 B 1.813 ambi=2 { CB:29.153 } atom: 512 57R-HE E 7.264 ambi=1 { NE:84.118 } ::sumAvg: 3.205 atom: 503 57R-HB2 B 2.072 ambi=2 { CB:29.153 } atom: 516 58L-HA A 4.252 ambi=1 { CA:56.621 } :: atom: 504 57R-HB3 B 1.813 ambi=2 { CB:29.153 } atom: 516 58L-HA A 4.252 ambi=1 { CA:56.621 } ::sumAvg: 4.3 atom: 519 58L-HB3 B 1.487 ambi=2 { CB:43.515 } atom: 503 57R-HB2 B 2.072 ambi=2 { CB:29.153 } ::sumAvg: 4.89 atom: 507 57R-HG3 G 1.467 ambi=2 { CG:27.206 } atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } ::sumAvg: 4.765 atom: 534 59L-HG G 1.402 ambi=1 { CG:26.194 } atom: 514 58L-H N 7.722 ambi=1 { N:117.747 } ::sumAvg: 4.91 atom: 548 60P-HD2 D 3.55 ambi=2 { CD:49.631 } atom: 514 58L-H N 7.722 ambi=1 { N:117.747 } :: atom: 549 60P-HD3 D 3.338 ambi=2 { CD:49.631 } atom: 514 58L-H N 7.722 ambi=1 { N:117.747 } ::sumAvg: 4.775 atom: 516 58L-HA A 4.252 ambi=1 { CA:56.621 } atom: 529 59L-HA A 4.674 ambi=1 { CA:51.671 } ::sumAvg: 4.605 atom: 534 59L-HG G 1.402 ambi=1 { CG:26.194 } atom: 516 58L-HA A 4.252 ambi=1 { CA:56.621 } ::sumAvg: 4.755 atom: 516 58L-HA A 4.252 ambi=1 { CA:56.621 } atom: 535 59L-HD1 D1 0.842 ambi=2 { CD1:25.702 } :: atom: 516 58L-HA A 4.252 ambi=1 { CA:56.621 } atom: 536 59L-HD2 D2 0.882 ambi=2 { CD2:23.897 } ::sumAvg: 4.61 atom: 535 59L-HD1 D1 0.842 ambi=2 { CD1:25.702 } atom: 516 58L-HA A 4.252 ambi=1 { CA:56.621 } :: atom: 536 59L-HD2 D2 0.882 ambi=2 { CD2:23.897 } atom: 516 58L-HA A 4.252 ambi=1 { CA:56.621 } ::sumAvg: 4.61 atom: 516 58L-HA A 4.252 ambi=1 { CA:56.621 } atom: 548 60P-HD2 D 3.55 ambi=2 { CD:49.631 } :: atom: 516 58L-HA A 4.252 ambi=1 { CA:56.621 } atom: 549 60P-HD3 D 3.338 ambi=2 { CD:49.631 } ::sumAvg: 4.27 atom: 548 60P-HD2 D 3.55 ambi=2 { CD:49.631 } atom: 516 58L-HA A 4.252 ambi=1 { CA:56.621 } :: atom: 549 60P-HD3 D 3.338 ambi=2 { CD:49.631 } atom: 516 58L-HA A 4.252 ambi=1 { CA:56.621 } ::sumAvg: 4.27 atom: 1192 121T-HG2 G2 1.377 ambi=1 { CG2:22.156 } atom: 516 58L-HA A 4.252 ambi=1 { CA:56.621 } ::sumAvg: 3.925 atom: 516 58L-HA A 4.252 ambi=1 { CA:56.621 } atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } :: atom: 516 58L-HA A 4.252 ambi=1 { CA:56.621 } atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } ::sumAvg: 3.21 atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } atom: 516 58L-HA A 4.252 ambi=1 { CA:56.621 } :: atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } atom: 516 58L-HA A 4.252 ambi=1 { CA:56.621 } ::sumAvg: 3.21 atom: 518 58L-HB2 B 1.871 ambi=2 { CB:43.515 } atom: 529 59L-HA A 4.674 ambi=1 { CA:51.671 } :: atom: 519 58L-HB3 B 1.487 ambi=2 { CB:43.515 } atom: 529 59L-HA A 4.674 ambi=1 { CA:51.671 } ::sumAvg: 4.6 atom: 518 58L-HB2 B 1.871 ambi=2 { CB:43.515 } atom: 532 59L-HB3 B 1.348 ambi=2 { CB:43.202 } ::sumAvg: 4.075 atom: 518 58L-HB2 B 1.871 ambi=2 { CB:43.515 } atom: 1146 117L-HD1 D1 0.909 ambi=2 { CD1:23.923 } :: atom: 518 58L-HB2 B 1.871 ambi=2 { CB:43.515 } atom: 1147 117L-HD2 D2 1.133 ambi=2 { CD2:26.076 } :: atom: 519 58L-HB3 B 1.487 ambi=2 { CB:43.515 } atom: 1146 117L-HD1 D1 0.909 ambi=2 { CD1:23.923 } ::sumAvg: 3.665 atom: 518 58L-HB2 B 1.871 ambi=2 { CB:43.515 } atom: 1191 121T-HB B 4.561 ambi=1 { CB:69.654 } :: atom: 519 58L-HB3 B 1.487 ambi=2 { CB:43.515 } atom: 1191 121T-HB B 4.561 ambi=1 { CB:69.654 } ::sumAvg: 3.48 atom: 1218 124I-HD1 D1 0.887 ambi=1 { CD1:13.315 } atom: 518 58L-HB2 B 1.871 ambi=2 { CB:43.515 } :: atom: 1218 124I-HD1 D1 0.887 ambi=1 { CD1:13.315 } atom: 519 58L-HB3 B 1.487 ambi=2 { CB:43.515 } ::sumAvg: 4.875 atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } atom: 518 58L-HB2 B 1.871 ambi=2 { CB:43.515 } :: atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } atom: 518 58L-HB2 B 1.871 ambi=2 { CB:43.515 } :: atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } atom: 519 58L-HB3 B 1.487 ambi=2 { CB:43.515 } :: atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } atom: 519 58L-HB3 B 1.487 ambi=2 { CB:43.515 } ::sumAvg: 3.525 atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } atom: 1146 117L-HD1 D1 0.909 ambi=2 { CD1:23.923 } :: atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } atom: 1147 117L-HD2 D2 1.133 ambi=2 { CD2:26.076 } ::sumAvg: 4.245 atom: 1146 117L-HD1 D1 0.909 ambi=2 { CD1:23.923 } atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } :: atom: 1147 117L-HD2 D2 1.133 ambi=2 { CD2:26.076 } atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } ::sumAvg: 4.245 atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } atom: 1192 121T-HG2 G2 1.377 ambi=1 { CG2:22.156 } ::sumAvg: 3.92 atom: 1192 121T-HG2 G2 1.377 ambi=1 { CG2:22.156 } atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } ::sumAvg: 3.92 atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } :: atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } ::sumAvg: 4.655 atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } :: atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } atom: 521 58L-HG G 1.931 ambi=1 { CG:26.166 } ::sumAvg: 4.655 atom: 534 59L-HG G 1.402 ambi=1 { CG:26.194 } atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } :: atom: 534 59L-HG G 1.402 ambi=1 { CG:26.194 } atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } ::sumAvg: 4.37 atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } atom: 1140 117L-HA A 3.987 ambi=1 { CA:57.978 } :: atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } atom: 1140 117L-HA A 3.987 ambi=1 { CA:57.978 } ::sumAvg: 4.415 atom: 1142 117L-HB2 B 1.774 ambi=2 { CB:41.553 } atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } :: atom: 1143 117L-HB3 B 2.232 ambi=2 { CB:41.553 } atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } :: atom: 1142 117L-HB2 B 1.774 ambi=2 { CB:41.553 } atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } :: atom: 1143 117L-HB3 B 2.232 ambi=2 { CB:41.553 } atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } ::sumAvg: 4.13 atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } atom: 1153 118N-HA A 3.549 ambi=1 { CA:56.036 } :: atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } atom: 1153 118N-HA A 3.549 ambi=1 { CA:56.036 } ::sumAvg: 3.84 atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } atom: 1158 118N-HD21 D2 5.527 ambi=2 { ND2:108.194 } :: atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } atom: 1159 118N-HD22 D2 6.121 ambi=2 { ND2:108.194 } :: atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } atom: 1158 118N-HD21 D2 5.527 ambi=2 { ND2:108.194 } :: atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } atom: 1159 118N-HD22 D2 6.121 ambi=2 { ND2:108.194 } ::sumAvg: 4.825 atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } atom: 1189 121T-HA A 4.411 ambi=1 { CA:62.697 } :: atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } atom: 1189 121T-HA A 4.411 ambi=1 { CA:62.697 } ::sumAvg: 4.755 atom: 1230 126L-QB B 1.6025 ambi=2 { CB:43.039 } atom: 522 58L-HD1 D1 1.002 ambi=2 { CD1:25.811 } :: atom: 1230 126L-QB B 1.6025 ambi=2 { CB:43.039 } atom: 523 58L-HD2 D2 0.994 ambi=2 { CD2:21.764 } ::sumAvg: 3.62 atom: 546 60P-HG2 G 1.991 ambi=2 { CG:27.131 } atom: 529 59L-HA A 4.674 ambi=1 { CA:51.671 } :: atom: 547 60P-HG3 G 2.046 ambi=2 { CG:27.131 } atom: 529 59L-HA A 4.674 ambi=1 { CA:51.671 } ::sumAvg: 4.405 atom: 531 59L-HB2 B 1.624 ambi=2 { CB:43.202 } atom: 548 60P-HD2 D 3.55 ambi=2 { CD:49.631 } :: atom: 531 59L-HB2 B 1.624 ambi=2 { CB:43.202 } atom: 549 60P-HD3 D 3.338 ambi=2 { CD:49.631 } :: atom: 532 59L-HB3 B 1.348 ambi=2 { CB:43.202 } atom: 548 60P-HD2 D 3.55 ambi=2 { CD:49.631 } :: atom: 532 59L-HB3 B 1.348 ambi=2 { CB:43.202 } atom: 549 60P-HD3 D 3.338 ambi=2 { CD:49.631 } ::sumAvg: 4.06 atom: 531 59L-HB2 B 1.624 ambi=2 { CB:43.202 } atom: 556 62T-H N 8.327 ambi=1 { N:116.843 } :: atom: 532 59L-HB3 B 1.348 ambi=2 { CB:43.202 } atom: 556 62T-H N 8.327 ambi=1 { N:116.843 } ::sumAvg: 4.6 atom: 531 59L-HB2 B 1.624 ambi=2 { CB:43.202 } atom: 560 62T-HB B 3.915 ambi=1 { CB:69.569 } :: atom: 532 59L-HB3 B 1.348 ambi=2 { CB:43.202 } atom: 560 62T-HB B 3.915 ambi=1 { CB:69.569 } ::sumAvg: 3.475 atom: 535 59L-HD1 D1 0.842 ambi=2 { CD1:25.702 } atom: 854 91L-HA A 4.506 ambi=1 { CA:54.412 } :: atom: 536 59L-HD2 D2 0.882 ambi=2 { CD2:23.897 } atom: 854 91L-HA A 4.506 ambi=1 { CA:54.412 } ::sumAvg: 4.465 atom: 553 61G-HA2 A 3.793 ambi=2 { CA:44.892 } atom: 541 60P-HA A 4.468 ambi=1 { CA:63.386 } ::sumAvg: 4.385 atom: 543 60P-HB2 B 1.804 ambi=2 { CB:31.504 } atom: 553 61G-HA2 A 3.793 ambi=2 { CA:44.892 } :: atom: 543 60P-HB2 B 1.804 ambi=2 { CB:31.504 } atom: 554 61G-HA3 A 4.192 ambi=2 { CA:44.892 } :: atom: 544 60P-HB3 B 2.319 ambi=2 { CB:31.504 } atom: 553 61G-HA2 A 3.793 ambi=2 { CA:44.892 } :: atom: 544 60P-HB3 B 2.319 ambi=2 { CB:31.504 } atom: 554 61G-HA3 A 4.192 ambi=2 { CA:44.892 } ::sumAvg: 4.275 atom: 553 61G-HA2 A 3.793 ambi=2 { CA:44.892 } atom: 543 60P-HB2 B 1.804 ambi=2 { CB:31.504 } :: atom: 554 61G-HA3 A 4.192 ambi=2 { CA:44.892 } atom: 543 60P-HB2 B 1.804 ambi=2 { CB:31.504 } :: atom: 553 61G-HA2 A 3.793 ambi=2 { CA:44.892 } atom: 544 60P-HB3 B 2.319 ambi=2 { CB:31.504 } :: atom: 554 61G-HA3 A 4.192 ambi=2 { CA:44.892 } atom: 544 60P-HB3 B 2.319 ambi=2 { CB:31.504 } ::sumAvg: 4.275 atom: 546 60P-HG2 G 1.991 ambi=2 { CG:27.131 } atom: 551 61G-H N 10.087 ambi=1 { N:113.118 } :: atom: 547 60P-HG3 G 2.046 ambi=2 { CG:27.131 } atom: 551 61G-H N 10.087 ambi=1 { N:113.118 } ::sumAvg: 4.975 atom: 560 62T-HB B 3.915 ambi=1 { CB:69.569 } atom: 551 61G-H N 10.087 ambi=1 { N:113.118 } ::sumAvg: 4.73 atom: 568 63I-HB B 2.064 ambi=1 { CB:36.257 } atom: 551 61G-H N 10.087 ambi=1 { N:113.118 } ::sumAvg: 4.955 atom: 553 61G-HA2 A 3.793 ambi=2 { CA:44.892 } atom: 564 63I-H N 8.436 ambi=1 { N:121.79 } :: atom: 554 61G-HA3 A 4.192 ambi=2 { CA:44.892 } atom: 564 63I-H N 8.436 ambi=1 { N:121.79 } ::sumAvg: 4.065 atom: 568 63I-HB B 2.064 ambi=1 { CB:36.257 } atom: 556 62T-H N 8.327 ambi=1 { N:116.843 } ::sumAvg: 4.585 atom: 572 63I-HG12 G1 1.602 ambi=2 { CG1:25.839 } atom: 556 62T-H N 8.327 ambi=1 { N:116.843 } :: atom: 573 63I-HG13 G1 1.821 ambi=2 { CG1:25.839 } atom: 556 62T-H N 8.327 ambi=1 { N:116.843 } ::sumAvg: 4.075 atom: 568 63I-HB B 2.064 ambi=1 { CB:36.257 } atom: 560 62T-HB B 3.915 ambi=1 { CB:69.569 } ::sumAvg: 4.985 atom: 572 63I-HG12 G1 1.602 ambi=2 { CG1:25.839 } atom: 560 62T-HB B 3.915 ambi=1 { CB:69.569 } :: atom: 573 63I-HG13 G1 1.821 ambi=2 { CG1:25.839 } atom: 560 62T-HB B 3.915 ambi=1 { CB:69.569 } ::sumAvg: 3.345 atom: 560 62T-HB B 3.915 ambi=1 { CB:69.569 } atom: 823 86G-HA2 A 3.405 ambi=2 { CA:47.052 } ::sumAvg: 4.075 atom: 823 86G-HA2 A 3.405 ambi=2 { CA:47.052 } atom: 560 62T-HB B 3.915 ambi=1 { CB:69.569 } ::sumAvg: 4.075 atom: 566 63I-HA A 4.136 ambi=1 { CA:58.426 } atom: 561 62T-HG2 G2 1.107 ambi=1 { CG2:22.105 } ::sumAvg: 3.635 atom: 572 63I-HG12 G1 1.602 ambi=2 { CG1:25.839 } atom: 561 62T-HG2 G2 1.107 ambi=1 { CG2:22.105 } :: atom: 573 63I-HG13 G1 1.821 ambi=2 { CG1:25.839 } atom: 561 62T-HG2 G2 1.107 ambi=1 { CG2:22.105 } ::sumAvg: 3.915 atom: 561 62T-HG2 G2 1.107 ambi=1 { CG2:22.105 } atom: 577 64E-H N 9.239 ambi=1 { N:127.774 } ::sumAvg: 4.79 atom: 561 62T-HG2 G2 1.107 ambi=1 { CG2:22.105 } atom: 810 85R-QB B 1.946 ambi=2 { CB:29.169 } ::sumAvg: 4.545 atom: 810 85R-QB B 1.946 ambi=2 { CB:29.169 } atom: 561 62T-HG2 G2 1.107 ambi=1 { CG2:22.105 } ::sumAvg: 4.545 atom: 828 87C-HA A 3.756 ambi=1 { CA:63.809 } atom: 561 62T-HG2 G2 1.107 ambi=1 { CG2:22.105 } ::sumAvg: 4.715 atom: 566 63I-HA A 4.136 ambi=1 { CA:58.426 } atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } ::sumAvg: 3.98 atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } atom: 566 63I-HA A 4.136 ambi=1 { CA:58.426 } ::sumAvg: 3.98 atom: 608 66V-HG1 G1 0.696 ambi=2 { CG1:19.303 } atom: 568 63I-HB B 2.064 ambi=1 { CB:36.257 } :: atom: 609 66V-HG2 G2 0.773 ambi=2 { CG2:21.327 } atom: 568 63I-HB B 2.064 ambi=1 { CB:36.257 } ::sumAvg: 4.49 atom: 569 63I-HG2 G2 0.761 ambi=1 { CG2:17.605 } atom: 591 65K-QB B 1.544 ambi=2 { CB:33.775 } ::sumAvg: 4.5 atom: 569 63I-HG2 G2 0.761 ambi=1 { CG2:17.605 } atom: 605 66V-HA A 4.213 ambi=1 { CA:59.631 } ::sumAvg: 3.7 atom: 569 63I-HG2 G2 0.761 ambi=1 { CG2:17.605 } atom: 738 79N-HA A 4.547 ambi=1 { CA:55.177 } ::sumAvg: 4.685 atom: 569 63I-HG2 G2 0.761 ambi=1 { CG2:17.605 } atom: 776 82E-HA A 4.545 ambi=1 { CA:58.642 } ::sumAvg: 4.92 atom: 572 63I-HG12 G1 1.602 ambi=2 { CG1:25.839 } atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } :: atom: 573 63I-HG13 G1 1.821 ambi=2 { CG1:25.839 } atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } ::sumAvg: 4.91 atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } atom: 572 63I-HG12 G1 1.602 ambi=2 { CG1:25.839 } :: atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } atom: 573 63I-HG13 G1 1.821 ambi=2 { CG1:25.839 } ::sumAvg: 4.91 atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } atom: 572 63I-HG12 G1 1.602 ambi=2 { CG1:25.839 } :: atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } atom: 573 63I-HG13 G1 1.821 ambi=2 { CG1:25.839 } ::sumAvg: 4.77 atom: 574 63I-HD1 D1 0.941 ambi=1 { CD1:10.867 } atom: 810 85R-QB B 1.946 ambi=2 { CB:29.169 } ::sumAvg: 4.42 atom: 574 63I-HD1 D1 0.941 ambi=1 { CD1:10.867 } atom: 826 87C-H N 8.304 ambi=1 { N:120.507 } ::sumAvg: 4.9 atom: 591 65K-QB B 1.544 ambi=2 { CB:33.775 } atom: 577 64E-H N 9.239 ambi=1 { N:127.774 } ::sumAvg: 4.86 atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } atom: 577 64E-H N 9.239 ambi=1 { N:127.774 } ::sumAvg: 4.43 atom: 579 64E-HA A 4.258 ambi=1 { CA:56.881 } atom: 591 65K-QB B 1.544 ambi=2 { CB:33.775 } ::sumAvg: 4.685 atom: 589 65K-HA A 4.29 ambi=1 { CA:55.538 } atom: 582 64E-QB B 1.935 ambi=2 { CB:30.872 } ::sumAvg: 4.6 atom: 582 64E-QB B 1.935 ambi=2 { CB:30.872 } atom: 781 82E-HG2 G 2.516 ambi=2 { CG:35 } :: atom: 582 64E-QB B 1.935 ambi=2 { CB:30.872 } atom: 782 82E-HG3 G 2.947 ambi=2 { CG:35 } ::sumAvg: 4.455 atom: 589 65K-HA A 4.29 ambi=1 { CA:55.538 } atom: 584 64E-HG2 G 2.072 ambi=2 { CG:35.982 } :: atom: 589 65K-HA A 4.29 ambi=1 { CA:55.538 } atom: 585 64E-HG3 G 2.236 ambi=2 { CG:35.982 } ::sumAvg: 4.4 atom: 584 64E-HG2 G 2.072 ambi=2 { CG:35.982 } atom: 591 65K-QB B 1.544 ambi=2 { CB:33.775 } :: atom: 585 64E-HG3 G 2.236 ambi=2 { CG:35.982 } atom: 591 65K-QB B 1.544 ambi=2 { CB:33.775 } ::sumAvg: 2.995 atom: 591 65K-QB B 1.544 ambi=2 { CB:33.775 } atom: 584 64E-HG2 G 2.072 ambi=2 { CG:35.982 } :: atom: 591 65K-QB B 1.544 ambi=2 { CB:33.775 } atom: 585 64E-HG3 G 2.236 ambi=2 { CG:35.982 } ::sumAvg: 2.995 atom: 607 66V-HB B 1.748 ambi=1 { CB:35.643 } atom: 587 65K-H N 7.215 ambi=1 { N:119.714 } ::sumAvg: 4.87 atom: 589 65K-HA A 4.29 ambi=1 { CA:55.538 } atom: 600 65K-HE2 E 2.561 ambi=2 { CE:41.749 } :: atom: 589 65K-HA A 4.29 ambi=1 { CA:55.538 } atom: 601 65K-HE3 E 2.701 ambi=2 { CE:41.749 } ::sumAvg: 4.88 atom: 600 65K-HE2 E 2.561 ambi=2 { CE:41.749 } atom: 589 65K-HA A 4.29 ambi=1 { CA:55.538 } :: atom: 601 65K-HE3 E 2.701 ambi=2 { CE:41.749 } atom: 589 65K-HA A 4.29 ambi=1 { CA:55.538 } ::sumAvg: 4.88 atom: 589 65K-HA A 4.29 ambi=1 { CA:55.538 } atom: 607 66V-HB B 1.748 ambi=1 { CB:35.643 } ::sumAvg: 4.625 atom: 607 66V-HB B 1.748 ambi=1 { CB:35.643 } atom: 589 65K-HA A 4.29 ambi=1 { CA:55.538 } ::sumAvg: 4.625 atom: 591 65K-QB B 1.544 ambi=2 { CB:33.775 } atom: 605 66V-HA A 4.213 ambi=1 { CA:59.631 } ::sumAvg: 4.58 atom: 605 66V-HA A 4.213 ambi=1 { CA:59.631 } atom: 591 65K-QB B 1.544 ambi=2 { CB:33.775 } ::sumAvg: 4.58 atom: 591 65K-QB B 1.544 ambi=2 { CB:33.775 } atom: 622 67Y-QE E 6.787 ambi=3 { CE1:117.59 CE2:117.82 } ::sumAvg: 4.67 atom: 622 67Y-QE E 6.787 ambi=3 { CE1:117.59 CE2:117.82 } atom: 591 65K-QB B 1.544 ambi=2 { CB:33.775 } ::sumAvg: 4.67 atom: 781 82E-HG2 G 2.516 ambi=2 { CG:35 } atom: 591 65K-QB B 1.544 ambi=2 { CB:33.775 } :: atom: 782 82E-HG3 G 2.947 ambi=2 { CG:35 } atom: 591 65K-QB B 1.544 ambi=2 { CB:33.775 } ::sumAvg: 4.29 atom: 594 65K-QG G 0.981 ambi=2 { CG:23.762 } atom: 605 66V-HA A 4.213 ambi=1 { CA:59.631 } ::sumAvg: 3.93 atom: 594 65K-QG G 0.981 ambi=2 { CG:23.762 } atom: 613 67Y-H N 9.599 ambi=1 { N:127.286 } ::sumAvg: 4.985 atom: 594 65K-QG G 0.981 ambi=2 { CG:23.762 } atom: 615 67Y-HA A 4.823 ambi=1 { CA:55.333 } ::sumAvg: 4.9 atom: 594 65K-QG G 0.981 ambi=2 { CG:23.762 } atom: 622 67Y-QE E 6.787 ambi=3 { CE1:117.59 CE2:117.82 } ::sumAvg: 3.335 atom: 597 65K-QD D 1.443 ambi=2 { CD:28.556 } atom: 605 66V-HA A 4.213 ambi=1 { CA:59.631 } ::sumAvg: 4.295 atom: 605 66V-HA A 4.213 ambi=1 { CA:59.631 } atom: 597 65K-QD D 1.443 ambi=2 { CD:28.556 } ::sumAvg: 4.295 atom: 597 65K-QD D 1.443 ambi=2 { CD:28.556 } atom: 608 66V-HG1 G1 0.696 ambi=2 { CG1:19.303 } :: atom: 597 65K-QD D 1.443 ambi=2 { CD:28.556 } atom: 609 66V-HG2 G2 0.773 ambi=2 { CG2:21.327 } ::sumAvg: 4.945 atom: 608 66V-HG1 G1 0.696 ambi=2 { CG1:19.303 } atom: 597 65K-QD D 1.443 ambi=2 { CD:28.556 } :: atom: 609 66V-HG2 G2 0.773 ambi=2 { CG2:21.327 } atom: 597 65K-QD D 1.443 ambi=2 { CD:28.556 } ::sumAvg: 4.945 atom: 636 68P-QD D 3.914 ambi=2 { CD:51.161 } atom: 603 66V-H N 7.962 ambi=1 { N:123.245 } ::sumAvg: 4.415 atom: 605 66V-HA A 4.213 ambi=1 { CA:59.631 } atom: 615 67Y-HA A 4.823 ambi=1 { CA:55.333 } ::sumAvg: 4.415 atom: 620 67Y-QD D 7.201 ambi=3 { QCD:133.904 } atom: 605 66V-HA A 4.213 ambi=1 { CA:59.631 } ::sumAvg: 3.92 atom: 605 66V-HA A 4.213 ambi=1 { CA:59.631 } atom: 622 67Y-QE E 6.787 ambi=3 { CE1:117.59 CE2:117.82 } ::sumAvg: 4.835 atom: 622 67Y-QE E 6.787 ambi=3 { CE1:117.59 CE2:117.82 } atom: 605 66V-HA A 4.213 ambi=1 { CA:59.631 } ::sumAvg: 4.835 atom: 605 66V-HA A 4.213 ambi=1 { CA:59.631 } atom: 743 79N-HD21 D2 7.406 ambi=2 { ND2:108.666 } :: atom: 605 66V-HA A 4.213 ambi=1 { CA:59.631 } atom: 744 79N-HD22 D2 8.105 ambi=2 { ND2:108.666 } ::sumAvg: 4.95 atom: 605 66V-HA A 4.213 ambi=1 { CA:59.631 } atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } ::sumAvg: 4.47 atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } atom: 605 66V-HA A 4.213 ambi=1 { CA:59.631 } ::sumAvg: 4.47 atom: 605 66V-HA A 4.213 ambi=1 { CA:59.631 } atom: 781 82E-HG2 G 2.516 ambi=2 { CG:35 } :: atom: 605 66V-HA A 4.213 ambi=1 { CA:59.631 } atom: 782 82E-HG3 G 2.947 ambi=2 { CG:35 } ::sumAvg: 4.035 atom: 781 82E-HG2 G 2.516 ambi=2 { CG:35 } atom: 605 66V-HA A 4.213 ambi=1 { CA:59.631 } :: atom: 782 82E-HG3 G 2.947 ambi=2 { CG:35 } atom: 605 66V-HA A 4.213 ambi=1 { CA:59.631 } ::sumAvg: 4.035 atom: 607 66V-HB B 1.748 ambi=1 { CB:35.643 } atom: 738 79N-HA A 4.547 ambi=1 { CA:55.177 } ::sumAvg: 4.56 atom: 607 66V-HB B 1.748 ambi=1 { CB:35.643 } atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } ::sumAvg: 4.425 atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } atom: 607 66V-HB B 1.748 ambi=1 { CB:35.643 } ::sumAvg: 4.425 atom: 607 66V-HB B 1.748 ambi=1 { CB:35.643 } atom: 781 82E-HG2 G 2.516 ambi=2 { CG:35 } :: atom: 607 66V-HB B 1.748 ambi=1 { CB:35.643 } atom: 782 82E-HG3 G 2.947 ambi=2 { CG:35 } ::sumAvg: 4.445 atom: 781 82E-HG2 G 2.516 ambi=2 { CG:35 } atom: 607 66V-HB B 1.748 ambi=1 { CB:35.643 } :: atom: 782 82E-HG3 G 2.947 ambi=2 { CG:35 } atom: 607 66V-HB B 1.748 ambi=1 { CB:35.643 } ::sumAvg: 4.445 atom: 608 66V-HG1 G1 0.696 ambi=2 { CG1:19.303 } atom: 615 67Y-HA A 4.823 ambi=1 { CA:55.333 } :: atom: 609 66V-HG2 G2 0.773 ambi=2 { CG2:21.327 } atom: 615 67Y-HA A 4.823 ambi=1 { CA:55.333 } ::sumAvg: 3.795 atom: 608 66V-HG1 G1 0.696 ambi=2 { CG1:19.303 } atom: 736 79N-H N 7.836 ambi=1 { N:119.43 } :: atom: 609 66V-HG2 G2 0.773 ambi=2 { CG2:21.327 } atom: 736 79N-H N 7.836 ambi=1 { N:119.43 } ::sumAvg: 4.835 atom: 608 66V-HG1 G1 0.696 ambi=2 { CG1:19.303 } atom: 781 82E-HG2 G 2.516 ambi=2 { CG:35 } :: atom: 608 66V-HG1 G1 0.696 ambi=2 { CG1:19.303 } atom: 782 82E-HG3 G 2.947 ambi=2 { CG:35 } :: atom: 609 66V-HG2 G2 0.773 ambi=2 { CG2:21.327 } atom: 781 82E-HG2 G 2.516 ambi=2 { CG:35 } :: atom: 609 66V-HG2 G2 0.773 ambi=2 { CG2:21.327 } atom: 782 82E-HG3 G 2.947 ambi=2 { CG:35 } ::sumAvg: 4.755 atom: 622 67Y-QE E 6.787 ambi=3 { CE1:117.59 CE2:117.82 } atom: 613 67Y-H N 9.599 ambi=1 { N:127.286 } ::sumAvg: 4.53 atom: 622 67Y-QE E 6.787 ambi=3 { CE1:117.59 CE2:117.82 } atom: 615 67Y-HA A 4.823 ambi=1 { CA:55.333 } ::sumAvg: 4.6 atom: 629 68P-HA A 4.185 ambi=1 { CA:63.938 } atom: 615 67Y-HA A 4.823 ambi=1 { CA:55.333 } ::sumAvg: 4.595 atom: 617 67Y-QB B 2.839 ambi=2 { CB:37.854 } atom: 629 68P-HA A 4.185 ambi=1 { CA:63.938 } ::sumAvg: 4.735 atom: 629 68P-HA A 4.185 ambi=1 { CA:63.938 } atom: 617 67Y-QB B 2.839 ambi=2 { CB:37.854 } ::sumAvg: 4.735 atom: 617 67Y-QB B 2.839 ambi=2 { CB:37.854 } atom: 655 70P-HG2 G 2.348 ambi=2 { CG:28.631 } :: atom: 617 67Y-QB B 2.839 ambi=2 { CB:37.854 } atom: 656 70P-HG3 G 2.041 ambi=2 { CG:28.631 } ::sumAvg: 3.82 atom: 617 67Y-QB B 2.839 ambi=2 { CB:37.854 } atom: 660 71R-H N 9.095 ambi=1 { N:121.854 } ::sumAvg: 4.64 atom: 706 75E-HG2 G 1.814 ambi=2 { CG:35.982 } atom: 617 67Y-QB B 2.839 ambi=2 { CB:37.854 } :: atom: 707 75E-HG3 G 0.703 ambi=2 { CG:35.982 } atom: 617 67Y-QB B 2.839 ambi=2 { CB:37.854 } ::sumAvg: 3.75 atom: 617 67Y-QB B 2.839 ambi=2 { CB:37.854 } atom: 709 76C-H N 7.563 ambi=1 { N:117.772 } ::sumAvg: 4.985 atom: 617 67Y-QB B 2.839 ambi=2 { CB:37.854 } atom: 733 78S-HB2 B 4.299 ambi=2 { CB:62.602 } :: atom: 617 67Y-QB B 2.839 ambi=2 { CB:37.854 } atom: 734 78S-HB3 B 4.125 ambi=2 { CB:62.602 } ::sumAvg: 4.63 atom: 733 78S-HB2 B 4.299 ambi=2 { CB:62.602 } atom: 617 67Y-QB B 2.839 ambi=2 { CB:37.854 } :: atom: 734 78S-HB3 B 4.125 ambi=2 { CB:62.602 } atom: 617 67Y-QB B 2.839 ambi=2 { CB:37.854 } ::sumAvg: 4.63 atom: 620 67Y-QD D 7.201 ambi=3 { QCD:133.904 } atom: 639 69E-H N 8.262 ambi=1 { N:117.576 } ::sumAvg: 4.945 atom: 620 67Y-QD D 7.201 ambi=3 { QCD:133.904 } atom: 650 70P-HA A 4.484 ambi=1 { CA:62.987 } ::sumAvg: 4.475 atom: 652 70P-HB2 B 2.243 ambi=2 { CB:33.65 } atom: 620 67Y-QD D 7.201 ambi=3 { QCD:133.904 } :: atom: 653 70P-HB3 B 2.104 ambi=2 { CB:33.65 } atom: 620 67Y-QD D 7.201 ambi=3 { QCD:133.904 } ::sumAvg: 4.38 atom: 620 67Y-QD D 7.201 ambi=3 { QCD:133.904 } atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } ::sumAvg: 4.96 atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } atom: 620 67Y-QD D 7.201 ambi=3 { QCD:133.904 } ::sumAvg: 4.96 atom: 620 67Y-QD D 7.201 ambi=3 { QCD:133.904 } atom: 736 79N-H N 7.836 ambi=1 { N:119.43 } ::sumAvg: 3.595 atom: 703 75E-HB2 B 1.776 ambi=2 { CB:30.367 } atom: 622 67Y-QE E 6.787 ambi=3 { CE1:117.59 CE2:117.82 } :: atom: 704 75E-HB3 B 1.45 ambi=2 { CB:30.367 } atom: 622 67Y-QE E 6.787 ambi=3 { CE1:117.59 CE2:117.82 } ::sumAvg: 4.22 atom: 622 67Y-QE E 6.787 ambi=3 { CE1:117.59 CE2:117.82 } atom: 736 79N-H N 7.836 ambi=1 { N:119.43 } ::sumAvg: 4.63 atom: 629 68P-HA A 4.185 ambi=1 { CA:63.938 } atom: 646 69E-HG2 G 2.148 ambi=2 { CG:36.01 } :: atom: 629 68P-HA A 4.185 ambi=1 { CA:63.938 } atom: 647 69E-HG3 G 2.091 ambi=2 { CG:36.01 } ::sumAvg: 4.92 atom: 646 69E-HG2 G 2.148 ambi=2 { CG:36.01 } atom: 629 68P-HA A 4.185 ambi=1 { CA:63.938 } :: atom: 647 69E-HG3 G 2.091 ambi=2 { CG:36.01 } atom: 629 68P-HA A 4.185 ambi=1 { CA:63.938 } ::sumAvg: 4.92 atom: 631 68P-HB2 B 2.233 ambi=2 { CB:32.127 } atom: 641 69E-HA A 4.579 ambi=1 { CA:53.027 } :: atom: 632 68P-HB3 B 1.981 ambi=2 { CB:32.127 } atom: 641 69E-HA A 4.579 ambi=1 { CA:53.027 } ::sumAvg: 4.56 atom: 643 69E-HB2 B 1.834 ambi=2 { CB:30 } atom: 636 68P-QD D 3.914 ambi=2 { CD:51.161 } :: atom: 644 69E-HB3 B 1.942 ambi=2 { CB:30 } atom: 636 68P-QD D 3.914 ambi=2 { CD:51.161 } ::sumAvg: 4.92 atom: 636 68P-QD D 3.914 ambi=2 { CD:51.161 } atom: 646 69E-HG2 G 2.148 ambi=2 { CG:36.01 } :: atom: 636 68P-QD D 3.914 ambi=2 { CD:51.161 } atom: 647 69E-HG3 G 2.091 ambi=2 { CG:36.01 } ::sumAvg: 3.9 atom: 646 69E-HG2 G 2.148 ambi=2 { CG:36.01 } atom: 636 68P-QD D 3.914 ambi=2 { CD:51.161 } :: atom: 647 69E-HG3 G 2.091 ambi=2 { CG:36.01 } atom: 636 68P-QD D 3.914 ambi=2 { CD:51.161 } ::sumAvg: 3.9 atom: 643 69E-HB2 B 1.834 ambi=2 { CB:30 } atom: 670 71R-HD2 D 3.221 ambi=2 { CD:42.957 } :: atom: 643 69E-HB2 B 1.834 ambi=2 { CB:30 } atom: 671 71R-HD3 D 3.186 ambi=2 { CD:42.957 } :: atom: 644 69E-HB3 B 1.942 ambi=2 { CB:30 } atom: 670 71R-HD2 D 3.221 ambi=2 { CD:42.957 } :: atom: 644 69E-HB3 B 1.942 ambi=2 { CB:30 } atom: 671 71R-HD3 D 3.186 ambi=2 { CD:42.957 } ::sumAvg: 4.915 atom: 706 75E-HG2 G 1.814 ambi=2 { CG:35.982 } atom: 650 70P-HA A 4.484 ambi=1 { CA:62.987 } :: atom: 707 75E-HG3 G 0.703 ambi=2 { CG:35.982 } atom: 650 70P-HA A 4.484 ambi=1 { CA:62.987 } ::sumAvg: 3.605 atom: 652 70P-HB2 B 2.243 ambi=2 { CB:33.65 } atom: 706 75E-HG2 G 1.814 ambi=2 { CG:35.982 } :: atom: 652 70P-HB2 B 2.243 ambi=2 { CB:33.65 } atom: 707 75E-HG3 G 0.703 ambi=2 { CG:35.982 } :: atom: 653 70P-HB3 B 2.104 ambi=2 { CB:33.65 } atom: 707 75E-HG3 G 0.703 ambi=2 { CG:35.982 } ::sumAvg: 4.945 atom: 706 75E-HG2 G 1.814 ambi=2 { CG:35.982 } atom: 652 70P-HB2 B 2.243 ambi=2 { CB:33.65 } :: atom: 707 75E-HG3 G 0.703 ambi=2 { CG:35.982 } atom: 652 70P-HB2 B 2.243 ambi=2 { CB:33.65 } :: atom: 707 75E-HG3 G 0.703 ambi=2 { CG:35.982 } atom: 653 70P-HB3 B 2.104 ambi=2 { CB:33.65 } ::sumAvg: 4.945 atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } atom: 652 70P-HB2 B 2.243 ambi=2 { CB:33.65 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 652 70P-HB2 B 2.243 ambi=2 { CB:33.65 } :: atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } atom: 653 70P-HB3 B 2.104 ambi=2 { CB:33.65 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 653 70P-HB3 B 2.104 ambi=2 { CB:33.65 } ::sumAvg: 3.365 atom: 655 70P-HG2 G 2.348 ambi=2 { CG:28.631 } atom: 703 75E-HB2 B 1.776 ambi=2 { CB:30.367 } :: atom: 655 70P-HG2 G 2.348 ambi=2 { CG:28.631 } atom: 704 75E-HB3 B 1.45 ambi=2 { CB:30.367 } :: atom: 656 70P-HG3 G 2.041 ambi=2 { CG:28.631 } atom: 704 75E-HB3 B 1.45 ambi=2 { CB:30.367 } ::sumAvg: 4.785 atom: 703 75E-HB2 B 1.776 ambi=2 { CB:30.367 } atom: 655 70P-HG2 G 2.348 ambi=2 { CG:28.631 } :: atom: 704 75E-HB3 B 1.45 ambi=2 { CB:30.367 } atom: 655 70P-HG2 G 2.348 ambi=2 { CG:28.631 } :: atom: 704 75E-HB3 B 1.45 ambi=2 { CB:30.367 } atom: 656 70P-HG3 G 2.041 ambi=2 { CG:28.631 } ::sumAvg: 4.785 atom: 655 70P-HG2 G 2.348 ambi=2 { CG:28.631 } atom: 709 76C-H N 7.563 ambi=1 { N:117.772 } :: atom: 656 70P-HG3 G 2.041 ambi=2 { CG:28.631 } atom: 709 76C-H N 7.563 ambi=1 { N:117.772 } ::sumAvg: 4.935 atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } atom: 655 70P-HG2 G 2.348 ambi=2 { CG:28.631 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 655 70P-HG2 G 2.348 ambi=2 { CG:28.631 } :: atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } atom: 656 70P-HG3 G 2.041 ambi=2 { CG:28.631 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 656 70P-HG3 G 2.041 ambi=2 { CG:28.631 } ::sumAvg: 4.205 atom: 679 72S-HB2 B 3.775 ambi=2 { CB:66.71 } atom: 660 71R-H N 9.095 ambi=1 { N:121.854 } :: atom: 680 72S-HB3 B 4.137 ambi=2 { CB:66.71 } atom: 660 71R-H N 9.095 ambi=1 { N:121.854 } ::sumAvg: 4.765 atom: 706 75E-HG2 G 1.814 ambi=2 { CG:35.982 } atom: 660 71R-H N 9.095 ambi=1 { N:121.854 } :: atom: 707 75E-HG3 G 0.703 ambi=2 { CG:35.982 } atom: 660 71R-H N 9.095 ambi=1 { N:121.854 } ::sumAvg: 3.74 atom: 664 71R-HB2 B 1.972 ambi=2 { CB:31.536 } atom: 673 71R-HE E 7.255 ambi=1 { NE:85.036 } :: atom: 665 71R-HB3 B 1.729 ambi=2 { CB:31.536 } atom: 673 71R-HE E 7.255 ambi=1 { NE:85.036 } ::sumAvg: 4.355 atom: 664 71R-HB2 B 1.972 ambi=2 { CB:31.536 } atom: 677 72S-HA A 4.723 ambi=1 { CA:55.769 } :: atom: 665 71R-HB3 B 1.729 ambi=2 { CB:31.536 } atom: 677 72S-HA A 4.723 ambi=1 { CA:55.769 } ::sumAvg: 4.53 atom: 679 72S-HB2 B 3.775 ambi=2 { CB:66.71 } atom: 664 71R-HB2 B 1.972 ambi=2 { CB:31.536 } :: atom: 680 72S-HB3 B 4.137 ambi=2 { CB:66.71 } atom: 664 71R-HB2 B 1.972 ambi=2 { CB:31.536 } :: atom: 679 72S-HB2 B 3.775 ambi=2 { CB:66.71 } atom: 665 71R-HB3 B 1.729 ambi=2 { CB:31.536 } :: atom: 680 72S-HB3 B 4.137 ambi=2 { CB:66.71 } atom: 665 71R-HB3 B 1.729 ambi=2 { CB:31.536 } ::sumAvg: 4.315 atom: 707 75E-HG3 G 0.703 ambi=2 { CG:35.982 } atom: 664 71R-HB2 B 1.972 ambi=2 { CB:31.536 } :: atom: 707 75E-HG3 G 0.703 ambi=2 { CG:35.982 } atom: 665 71R-HB3 B 1.729 ambi=2 { CB:31.536 } ::sumAvg: 4.88 atom: 670 71R-HD2 D 3.221 ambi=2 { CD:42.957 } atom: 675 72S-H N 7.419 ambi=1 { N:111.595 } :: atom: 671 71R-HD3 D 3.186 ambi=2 { CD:42.957 } atom: 675 72S-H N 7.419 ambi=1 { N:111.595 } ::sumAvg: 4.705 atom: 684 73E-HA A 3.742 ambi=1 { CA:59.681 } atom: 677 72S-HA A 4.723 ambi=1 { CA:55.769 } ::sumAvg: 4.315 atom: 686 73E-HB2 B 2.189 ambi=2 { CB:29.688 } atom: 677 72S-HA A 4.723 ambi=1 { CA:55.769 } :: atom: 687 73E-HB3 B 1.91 ambi=2 { CB:29.688 } atom: 677 72S-HA A 4.723 ambi=1 { CA:55.769 } ::sumAvg: 4.83 atom: 689 73E-QG G 1.8395 ambi=2 { CG:35.907 } atom: 677 72S-HA A 4.723 ambi=1 { CA:55.769 } ::sumAvg: 4.85 atom: 679 72S-HB2 B 3.775 ambi=2 { CB:66.71 } atom: 686 73E-HB2 B 2.189 ambi=2 { CB:29.688 } :: atom: 679 72S-HB2 B 3.775 ambi=2 { CB:66.71 } atom: 687 73E-HB3 B 1.91 ambi=2 { CB:29.688 } :: atom: 680 72S-HB3 B 4.137 ambi=2 { CB:66.71 } atom: 686 73E-HB2 B 2.189 ambi=2 { CB:29.688 } :: atom: 680 72S-HB3 B 4.137 ambi=2 { CB:66.71 } atom: 687 73E-HB3 B 1.91 ambi=2 { CB:29.688 } ::sumAvg: 4.755 atom: 703 75E-HB2 B 1.776 ambi=2 { CB:30.367 } atom: 679 72S-HB2 B 3.775 ambi=2 { CB:66.71 } :: atom: 704 75E-HB3 B 1.45 ambi=2 { CB:30.367 } atom: 679 72S-HB2 B 3.775 ambi=2 { CB:66.71 } :: atom: 703 75E-HB2 B 1.776 ambi=2 { CB:30.367 } atom: 680 72S-HB3 B 4.137 ambi=2 { CB:66.71 } :: atom: 704 75E-HB3 B 1.45 ambi=2 { CB:30.367 } atom: 680 72S-HB3 B 4.137 ambi=2 { CB:66.71 } ::sumAvg: 4.555 atom: 689 73E-QG G 1.8395 ambi=2 { CG:35.907 } atom: 682 73E-H N 9.17 ambi=1 { N:123.839 } ::sumAvg: 3 atom: 697 74S-QB B 3.7805 ambi=2 { CB:62.014 } atom: 682 73E-H N 9.17 ambi=1 { N:123.839 } ::sumAvg: 4.82 atom: 684 73E-HA A 3.742 ambi=1 { CA:59.681 } atom: 699 75E-H N 7.396 ambi=1 { N:122.828 } ::sumAvg: 4.25 atom: 684 73E-HA A 3.742 ambi=1 { CA:59.681 } atom: 723 77L-HG G 1.234 ambi=1 { CG:26.667 } ::sumAvg: 3.7 atom: 723 77L-HG G 1.234 ambi=1 { CG:26.667 } atom: 684 73E-HA A 3.742 ambi=1 { CA:59.681 } ::sumAvg: 3.7 atom: 684 73E-HA A 3.742 ambi=1 { CA:59.681 } atom: 724 77L-HD1 D1 0.689 ambi=2 { CD1:25.706 } :: atom: 684 73E-HA A 3.742 ambi=1 { CA:59.681 } atom: 725 77L-HD2 D2 0.572 ambi=2 { CD2:22.678 } ::sumAvg: 4.285 atom: 684 73E-HA A 3.742 ambi=1 { CA:59.681 } atom: 978 102Y-QD D 7.224 ambi=3 { QCD:133.29 } ::sumAvg: 4.95 atom: 978 102Y-QD D 7.224 ambi=3 { QCD:133.29 } atom: 684 73E-HA A 3.742 ambi=1 { CA:59.681 } ::sumAvg: 4.95 atom: 686 73E-HB2 B 2.189 ambi=2 { CB:29.688 } atom: 694 74S-HA A 3.949 ambi=1 { CA:61.574 } :: atom: 687 73E-HB3 B 1.91 ambi=2 { CB:29.688 } atom: 694 74S-HA A 3.949 ambi=1 { CA:61.574 } ::sumAvg: 4.37 atom: 694 74S-HA A 3.949 ambi=1 { CA:61.574 } atom: 686 73E-HB2 B 2.189 ambi=2 { CB:29.688 } :: atom: 694 74S-HA A 3.949 ambi=1 { CA:61.574 } atom: 687 73E-HB3 B 1.91 ambi=2 { CB:29.688 } ::sumAvg: 4.37 atom: 697 74S-QB B 3.7805 ambi=2 { CB:62.014 } atom: 686 73E-HB2 B 2.189 ambi=2 { CB:29.688 } :: atom: 697 74S-QB B 3.7805 ambi=2 { CB:62.014 } atom: 687 73E-HB3 B 1.91 ambi=2 { CB:29.688 } ::sumAvg: 4.905 atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } atom: 686 73E-HB2 B 2.189 ambi=2 { CB:29.688 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 686 73E-HB2 B 2.189 ambi=2 { CB:29.688 } :: atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } atom: 687 73E-HB3 B 1.91 ambi=2 { CB:29.688 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 687 73E-HB3 B 1.91 ambi=2 { CB:29.688 } ::sumAvg: 4.975 atom: 723 77L-HG G 1.234 ambi=1 { CG:26.667 } atom: 686 73E-HB2 B 2.189 ambi=2 { CB:29.688 } :: atom: 723 77L-HG G 1.234 ambi=1 { CG:26.667 } atom: 687 73E-HB3 B 1.91 ambi=2 { CB:29.688 } ::sumAvg: 3.91 atom: 978 102Y-QD D 7.224 ambi=3 { QCD:133.29 } atom: 686 73E-HB2 B 2.189 ambi=2 { CB:29.688 } :: atom: 978 102Y-QD D 7.224 ambi=3 { QCD:133.29 } atom: 687 73E-HB3 B 1.91 ambi=2 { CB:29.688 } ::sumAvg: 4.95 atom: 689 73E-QG G 1.8395 ambi=2 { CG:35.907 } atom: 694 74S-HA A 3.949 ambi=1 { CA:61.574 } ::sumAvg: 4.505 atom: 694 74S-HA A 3.949 ambi=1 { CA:61.574 } atom: 689 73E-QG G 1.8395 ambi=2 { CG:35.907 } ::sumAvg: 4.505 atom: 689 73E-QG G 1.8395 ambi=2 { CG:35.907 } atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } :: atom: 689 73E-QG G 1.8395 ambi=2 { CG:35.907 } atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } ::sumAvg: 4.445 atom: 689 73E-QG G 1.8395 ambi=2 { CG:35.907 } atom: 716 77L-H N 8.508 ambi=1 { N:117.705 } ::sumAvg: 4.53 atom: 978 102Y-QD D 7.224 ambi=3 { QCD:133.29 } atom: 689 73E-QG G 1.8395 ambi=2 { CG:35.907 } ::sumAvg: 3.865 atom: 723 77L-HG G 1.234 ambi=1 { CG:26.667 } atom: 692 74S-H N 8.345 ambi=1 { N:111.982 } ::sumAvg: 4.87 atom: 724 77L-HD1 D1 0.689 ambi=2 { CD1:25.706 } atom: 692 74S-H N 8.345 ambi=1 { N:111.982 } :: atom: 725 77L-HD2 D2 0.572 ambi=2 { CD2:22.678 } atom: 692 74S-H N 8.345 ambi=1 { N:111.982 } ::sumAvg: 4.22 atom: 694 74S-HA A 3.949 ambi=1 { CA:61.574 } atom: 709 76C-H N 7.563 ambi=1 { N:117.772 } ::sumAvg: 4.825 atom: 720 77L-HB2 B 1.191 ambi=2 { CB:41.207 } atom: 697 74S-QB B 3.7805 ambi=2 { CB:62.014 } :: atom: 721 77L-HB3 B 1.711 ambi=2 { CB:41.207 } atom: 697 74S-QB B 3.7805 ambi=2 { CB:62.014 } ::sumAvg: 4.615 atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } atom: 699 75E-H N 7.396 ambi=1 { N:122.828 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 699 75E-H N 7.396 ambi=1 { N:122.828 } ::sumAvg: 4.905 atom: 701 75E-HA A 3.585 ambi=1 { CA:59.353 } atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } ::sumAvg: 4.835 atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } atom: 701 75E-HA A 3.585 ambi=1 { CA:59.353 } ::sumAvg: 4.835 atom: 703 75E-HB2 B 1.776 ambi=2 { CB:30.367 } atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } :: atom: 704 75E-HB3 B 1.45 ambi=2 { CB:30.367 } atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } ::sumAvg: 4.255 atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } atom: 703 75E-HB2 B 1.776 ambi=2 { CB:30.367 } :: atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } atom: 704 75E-HB3 B 1.45 ambi=2 { CB:30.367 } ::sumAvg: 4.255 atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } atom: 703 75E-HB2 B 1.776 ambi=2 { CB:30.367 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 703 75E-HB2 B 1.776 ambi=2 { CB:30.367 } :: atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } atom: 704 75E-HB3 B 1.45 ambi=2 { CB:30.367 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 704 75E-HB3 B 1.45 ambi=2 { CB:30.367 } ::sumAvg: 4.48 atom: 703 75E-HB2 B 1.776 ambi=2 { CB:30.367 } atom: 733 78S-HB2 B 4.299 ambi=2 { CB:62.602 } :: atom: 703 75E-HB2 B 1.776 ambi=2 { CB:30.367 } atom: 734 78S-HB3 B 4.125 ambi=2 { CB:62.602 } :: atom: 704 75E-HB3 B 1.45 ambi=2 { CB:30.367 } atom: 733 78S-HB2 B 4.299 ambi=2 { CB:62.602 } :: atom: 704 75E-HB3 B 1.45 ambi=2 { CB:30.367 } atom: 734 78S-HB3 B 4.125 ambi=2 { CB:62.602 } ::sumAvg: 4.54 atom: 706 75E-HG2 G 1.814 ambi=2 { CG:35.982 } atom: 709 76C-H N 7.563 ambi=1 { N:117.772 } :: atom: 707 75E-HG3 G 0.703 ambi=2 { CG:35.982 } atom: 709 76C-H N 7.563 ambi=1 { N:117.772 } ::sumAvg: 4.485 atom: 720 77L-HB2 B 1.191 ambi=2 { CB:41.207 } atom: 709 76C-H N 7.563 ambi=1 { N:117.772 } :: atom: 721 77L-HB3 B 1.711 ambi=2 { CB:41.207 } atom: 709 76C-H N 7.563 ambi=1 { N:117.772 } ::sumAvg: 4.98 atom: 723 77L-HG G 1.234 ambi=1 { CG:26.667 } atom: 709 76C-H N 7.563 ambi=1 { N:117.772 } ::sumAvg: 4.545 atom: 980 102Y-QE E 6.869 ambi=3 { CE1:117.785 CE2:117.91 } atom: 709 76C-H N 7.563 ambi=1 { N:117.772 } ::sumAvg: 4.955 atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } atom: 718 77L-HA A 3.838 ambi=1 { CA:57.636 } ::sumAvg: 4.835 atom: 718 77L-HA A 3.838 ambi=1 { CA:57.636 } atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } ::sumAvg: 4.835 atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } :: atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } ::sumAvg: 4.475 atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } ::sumAvg: 4.475 atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } atom: 756 80I-HD1 D1 1.269 ambi=1 { CD1:14.08 } ::sumAvg: 4.8 atom: 756 80I-HD1 D1 1.269 ambi=1 { CD1:14.08 } atom: 711 76C-HA A 4.357 ambi=1 { CA:62.51 } ::sumAvg: 4.8 atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } atom: 718 77L-HA A 3.838 ambi=1 { CA:57.636 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 718 77L-HA A 3.838 ambi=1 { CA:57.636 } ::sumAvg: 4.23 atom: 718 77L-HA A 3.838 ambi=1 { CA:57.636 } atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } :: atom: 718 77L-HA A 3.838 ambi=1 { CA:57.636 } atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } ::sumAvg: 4.23 atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } atom: 720 77L-HB2 B 1.191 ambi=2 { CB:41.207 } :: atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } atom: 721 77L-HB3 B 1.711 ambi=2 { CB:41.207 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 720 77L-HB2 B 1.191 ambi=2 { CB:41.207 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 721 77L-HB3 B 1.711 ambi=2 { CB:41.207 } ::sumAvg: 4.8 atom: 720 77L-HB2 B 1.191 ambi=2 { CB:41.207 } atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } :: atom: 721 77L-HB3 B 1.711 ambi=2 { CB:41.207 } atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } :: atom: 720 77L-HB2 B 1.191 ambi=2 { CB:41.207 } atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } :: atom: 721 77L-HB3 B 1.711 ambi=2 { CB:41.207 } atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } ::sumAvg: 4.8 atom: 723 77L-HG G 1.234 ambi=1 { CG:26.667 } atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } :: atom: 723 77L-HG G 1.234 ambi=1 { CG:26.667 } atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } ::sumAvg: 3.34 atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } atom: 729 78S-H N 8.071 ambi=1 { N:113.93 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 729 78S-H N 8.071 ambi=1 { N:113.93 } ::sumAvg: 4.905 atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } atom: 743 79N-HD21 D2 7.406 ambi=2 { ND2:108.666 } :: atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } atom: 744 79N-HD22 D2 8.105 ambi=2 { ND2:108.666 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 743 79N-HD21 D2 7.406 ambi=2 { ND2:108.666 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 744 79N-HD22 D2 8.105 ambi=2 { ND2:108.666 } ::sumAvg: 4.545 atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } :: atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } :: atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } ::sumAvg: 4.81 atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 713 76C-HB2 B 2.819 ambi=2 { CB:27.899 } :: atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 714 76C-HB3 B 3.114 ambi=2 { CB:27.899 } ::sumAvg: 4.81 atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } atom: 716 77L-H N 8.508 ambi=1 { N:117.705 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 716 77L-H N 8.508 ambi=1 { N:117.705 } ::sumAvg: 4.92 atom: 980 102Y-QE E 6.869 ambi=3 { CE1:117.785 CE2:117.91 } atom: 716 77L-H N 8.508 ambi=1 { N:117.705 } ::sumAvg: 4.755 atom: 718 77L-HA A 3.838 ambi=1 { CA:57.636 } atom: 736 79N-H N 7.836 ambi=1 { N:119.43 } ::sumAvg: 4.56 atom: 718 77L-HA A 3.838 ambi=1 { CA:57.636 } atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } :: atom: 718 77L-HA A 3.838 ambi=1 { CA:57.636 } atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } ::sumAvg: 4.235 atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } atom: 718 77L-HA A 3.838 ambi=1 { CA:57.636 } :: atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } atom: 718 77L-HA A 3.838 ambi=1 { CA:57.636 } ::sumAvg: 4.235 atom: 718 77L-HA A 3.838 ambi=1 { CA:57.636 } atom: 978 102Y-QD D 7.224 ambi=3 { QCD:133.29 } ::sumAvg: 4.755 atom: 978 102Y-QD D 7.224 ambi=3 { QCD:133.29 } atom: 718 77L-HA A 3.838 ambi=1 { CA:57.636 } ::sumAvg: 4.755 atom: 731 78S-HA A 4.166 ambi=1 { CA:62.179 } atom: 720 77L-HB2 B 1.191 ambi=2 { CB:41.207 } :: atom: 731 78S-HA A 4.166 ambi=1 { CA:62.179 } atom: 721 77L-HB3 B 1.711 ambi=2 { CB:41.207 } ::sumAvg: 4.305 atom: 733 78S-HB2 B 4.299 ambi=2 { CB:62.602 } atom: 720 77L-HB2 B 1.191 ambi=2 { CB:41.207 } :: atom: 734 78S-HB3 B 4.125 ambi=2 { CB:62.602 } atom: 720 77L-HB2 B 1.191 ambi=2 { CB:41.207 } :: atom: 733 78S-HB2 B 4.299 ambi=2 { CB:62.602 } atom: 721 77L-HB3 B 1.711 ambi=2 { CB:41.207 } :: atom: 734 78S-HB3 B 4.125 ambi=2 { CB:62.602 } atom: 721 77L-HB3 B 1.711 ambi=2 { CB:41.207 } ::sumAvg: 4.705 atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } atom: 720 77L-HB2 B 1.191 ambi=2 { CB:41.207 } ::sumAvg: 4.455 atom: 756 80I-HD1 D1 1.269 ambi=1 { CD1:14.08 } atom: 721 77L-HB3 B 1.711 ambi=2 { CB:41.207 } ::sumAvg: 4.365 atom: 720 77L-HB2 B 1.191 ambi=2 { CB:41.207 } atom: 759 81R-H N 9.063 ambi=1 { N:117.402 } :: atom: 721 77L-HB3 B 1.711 ambi=2 { CB:41.207 } atom: 759 81R-H N 9.063 ambi=1 { N:117.402 } ::sumAvg: 4.85 atom: 720 77L-HB2 B 1.191 ambi=2 { CB:41.207 } atom: 769 81R-HD2 D 3.201 ambi=2 { CD:43.311 } :: atom: 720 77L-HB2 B 1.191 ambi=2 { CB:41.207 } atom: 770 81R-HD3 D 3.13 ambi=2 { CD:43.311 } :: atom: 721 77L-HB3 B 1.711 ambi=2 { CB:41.207 } atom: 769 81R-HD2 D 3.201 ambi=2 { CD:43.311 } :: atom: 721 77L-HB3 B 1.711 ambi=2 { CB:41.207 } atom: 770 81R-HD3 D 3.13 ambi=2 { CD:43.311 } ::sumAvg: 4.86 atom: 723 77L-HG G 1.234 ambi=1 { CG:26.667 } atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } :: atom: 723 77L-HG G 1.234 ambi=1 { CG:26.667 } atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } ::sumAvg: 4.66 atom: 723 77L-HG G 1.234 ambi=1 { CG:26.667 } atom: 978 102Y-QD D 7.224 ambi=3 { QCD:133.29 } ::sumAvg: 3.81 atom: 723 77L-HG G 1.234 ambi=1 { CG:26.667 } atom: 980 102Y-QE E 6.869 ambi=3 { CE1:117.785 CE2:117.91 } ::sumAvg: 4.135 atom: 724 77L-HD1 D1 0.689 ambi=2 { CD1:25.706 } atom: 746 80I-H N 8.373 ambi=1 { N:119.469 } :: atom: 725 77L-HD2 D2 0.572 ambi=2 { CD2:22.678 } atom: 746 80I-H N 8.373 ambi=1 { N:119.469 } ::sumAvg: 4.96 atom: 724 77L-HD1 D1 0.689 ambi=2 { CD1:25.706 } atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } :: atom: 725 77L-HD2 D2 0.572 ambi=2 { CD2:22.678 } atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } ::sumAvg: 4.21 atom: 724 77L-HD1 D1 0.689 ambi=2 { CD1:25.706 } atom: 935 98A-H N 9.208 ambi=1 { N:128.568 } :: atom: 725 77L-HD2 D2 0.572 ambi=2 { CD2:22.678 } atom: 935 98A-H N 9.208 ambi=1 { N:128.568 } ::sumAvg: 4.785 atom: 724 77L-HD1 D1 0.689 ambi=2 { CD1:25.706 } atom: 937 98A-HA A 4.135 ambi=1 { CA:56.521 } :: atom: 725 77L-HD2 D2 0.572 ambi=2 { CD2:22.678 } atom: 937 98A-HA A 4.135 ambi=1 { CA:56.521 } ::sumAvg: 3.935 atom: 724 77L-HD1 D1 0.689 ambi=2 { CD1:25.706 } atom: 993 103Q-HG2 G 2.643 ambi=2 { CG:33.356 } :: atom: 724 77L-HD1 D1 0.689 ambi=2 { CD1:25.706 } atom: 994 103Q-HG3 G 2.517 ambi=2 { CG:33.356 } :: atom: 725 77L-HD2 D2 0.572 ambi=2 { CD2:22.678 } atom: 993 103Q-HG2 G 2.643 ambi=2 { CG:33.356 } :: atom: 725 77L-HD2 D2 0.572 ambi=2 { CD2:22.678 } atom: 994 103Q-HG3 G 2.517 ambi=2 { CG:33.356 } ::sumAvg: 4.175 atom: 993 103Q-HG2 G 2.643 ambi=2 { CG:33.356 } atom: 724 77L-HD1 D1 0.689 ambi=2 { CD1:25.706 } :: atom: 994 103Q-HG3 G 2.517 ambi=2 { CG:33.356 } atom: 724 77L-HD1 D1 0.689 ambi=2 { CD1:25.706 } :: atom: 993 103Q-HG2 G 2.643 ambi=2 { CG:33.356 } atom: 725 77L-HD2 D2 0.572 ambi=2 { CD2:22.678 } :: atom: 994 103Q-HG3 G 2.517 ambi=2 { CG:33.356 } atom: 725 77L-HD2 D2 0.572 ambi=2 { CD2:22.678 } ::sumAvg: 4.175 atom: 766 81R-QG G 1.58 ambi=2 { CG:29.663 } atom: 729 78S-H N 8.071 ambi=1 { N:113.93 } ::sumAvg: 4.895 atom: 731 78S-HA A 4.166 ambi=1 { CA:62.179 } atom: 746 80I-H N 8.373 ambi=1 { N:119.469 } ::sumAvg: 4.485 atom: 731 78S-HA A 4.166 ambi=1 { CA:62.179 } atom: 769 81R-HD2 D 3.201 ambi=2 { CD:43.311 } :: atom: 731 78S-HA A 4.166 ambi=1 { CA:62.179 } atom: 770 81R-HD3 D 3.13 ambi=2 { CD:43.311 } ::sumAvg: 3.745 atom: 731 78S-HA A 4.166 ambi=1 { CA:62.179 } atom: 774 82E-H N 8.445 ambi=1 { N:124.127 } ::sumAvg: 4.015 atom: 734 78S-HB3 B 4.125 ambi=2 { CB:62.602 } atom: 738 79N-HA A 4.547 ambi=1 { CA:55.177 } ::sumAvg: 4.345 atom: 733 78S-HB2 B 4.299 ambi=2 { CB:62.602 } atom: 763 81R-HB2 B 1.907 ambi=2 { CB:29.617 } :: atom: 733 78S-HB2 B 4.299 ambi=2 { CB:62.602 } atom: 764 81R-HB3 B 2.052 ambi=2 { CB:29.617 } :: atom: 734 78S-HB3 B 4.125 ambi=2 { CB:62.602 } atom: 763 81R-HB2 B 1.907 ambi=2 { CB:29.617 } :: atom: 734 78S-HB3 B 4.125 ambi=2 { CB:62.602 } atom: 764 81R-HB3 B 2.052 ambi=2 { CB:29.617 } ::sumAvg: 4.685 atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } atom: 736 79N-H N 7.836 ambi=1 { N:119.43 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 736 79N-H N 7.836 ambi=1 { N:119.43 } ::sumAvg: 4.37 atom: 748 80I-HA A 3.636 ambi=1 { CA:66.48 } atom: 738 79N-HA A 4.547 ambi=1 { CA:55.177 } ::sumAvg: 4.795 atom: 740 79N-HB2 B 2.843 ambi=2 { CB:37.819 } atom: 748 80I-HA A 3.636 ambi=1 { CA:66.48 } ::sumAvg: 4.3 atom: 740 79N-HB2 B 2.843 ambi=2 { CB:37.819 } atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } :: atom: 741 79N-HB3 B 3.884 ambi=2 { CB:37.819 } atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } ::sumAvg: 4.96 atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } atom: 740 79N-HB2 B 2.843 ambi=2 { CB:37.819 } :: atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } atom: 741 79N-HB3 B 3.884 ambi=2 { CB:37.819 } ::sumAvg: 4.96 atom: 740 79N-HB2 B 2.843 ambi=2 { CB:37.819 } atom: 756 80I-HD1 D1 1.269 ambi=1 { CD1:14.08 } :: atom: 741 79N-HB3 B 3.884 ambi=2 { CB:37.819 } atom: 756 80I-HD1 D1 1.269 ambi=1 { CD1:14.08 } ::sumAvg: 4.64 atom: 740 79N-HB2 B 2.843 ambi=2 { CB:37.819 } atom: 759 81R-H N 9.063 ambi=1 { N:117.402 } :: atom: 741 79N-HB3 B 3.884 ambi=2 { CB:37.819 } atom: 759 81R-H N 9.063 ambi=1 { N:117.402 } ::sumAvg: 4.99 atom: 740 79N-HB2 B 2.843 ambi=2 { CB:37.819 } atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } :: atom: 741 79N-HB3 B 3.884 ambi=2 { CB:37.819 } atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } ::sumAvg: 4.665 atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } atom: 743 79N-HD21 D2 7.406 ambi=2 { ND2:108.666 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 743 79N-HD21 D2 7.406 ambi=2 { ND2:108.666 } :: atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } atom: 744 79N-HD22 D2 8.105 ambi=2 { ND2:108.666 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 744 79N-HD22 D2 8.105 ambi=2 { ND2:108.666 } ::sumAvg: 4.935 atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } atom: 746 80I-H N 8.373 ambi=1 { N:119.469 } ::sumAvg: 4.25 atom: 800 84L-HG G 1.887 ambi=1 { CG:26.06 } atom: 748 80I-HA A 3.636 ambi=1 { CA:66.48 } ::sumAvg: 4.18 atom: 801 84L-HD1 D1 0.748 ambi=2 { CD1:25.866 } atom: 748 80I-HA A 3.636 ambi=1 { CA:66.48 } :: atom: 802 84L-HD2 D2 0.136 ambi=2 { CD2:20.83 } atom: 748 80I-HA A 3.636 ambi=1 { CA:66.48 } ::sumAvg: 4.71 atom: 922 96F-HZ Z 7.08 ambi=1 { CZ:129 } atom: 748 80I-HA A 3.636 ambi=1 { CA:66.48 } ::sumAvg: 4.76 atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } atom: 748 80I-HA A 3.636 ambi=1 { CA:66.48 } ::sumAvg: 4.74 atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } atom: 761 81R-HA A 3.992 ambi=1 { CA:60.412 } ::sumAvg: 4.22 atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } atom: 801 84L-HD1 D1 0.748 ambi=2 { CD1:25.866 } :: atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } atom: 802 84L-HD2 D2 0.136 ambi=2 { CD2:20.83 } ::sumAvg: 3.955 atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } atom: 920 96F-QE E 7.246 ambi=3 { CE1:130.774 CE2:130.942 } ::sumAvg: 4.905 atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } atom: 935 98A-H N 9.208 ambi=1 { N:128.568 } ::sumAvg: 4.895 atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } :: atom: 750 80I-HB B 1.921 ambi=1 { CB:39.172 } atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } ::sumAvg: 4.565 atom: 761 81R-HA A 3.992 ambi=1 { CA:60.412 } atom: 751 80I-HG2 G2 1.268 ambi=1 { CG2:19.03 } ::sumAvg: 3.5 atom: 751 80I-HG2 G2 1.268 ambi=1 { CG2:19.03 } atom: 769 81R-HD2 D 3.201 ambi=2 { CD:43.311 } :: atom: 751 80I-HG2 G2 1.268 ambi=1 { CG2:19.03 } atom: 770 81R-HD3 D 3.13 ambi=2 { CD:43.311 } ::sumAvg: 4.93 atom: 769 81R-HD2 D 3.201 ambi=2 { CD:43.311 } atom: 751 80I-HG2 G2 1.268 ambi=1 { CG2:19.03 } :: atom: 770 81R-HD3 D 3.13 ambi=2 { CD:43.311 } atom: 751 80I-HG2 G2 1.268 ambi=1 { CG2:19.03 } ::sumAvg: 4.93 atom: 751 80I-HG2 G2 1.268 ambi=1 { CG2:19.03 } atom: 784 83F-H N 7.844 ambi=1 { N:121.118 } ::sumAvg: 4.645 atom: 788 83F-HB2 B 3.515 ambi=2 { CB:38.116 } atom: 751 80I-HG2 G2 1.268 ambi=1 { CG2:19.03 } :: atom: 789 83F-HB3 B 3.209 ambi=2 { CB:38.116 } atom: 751 80I-HG2 G2 1.268 ambi=1 { CG2:19.03 } ::sumAvg: 3.485 atom: 797 84L-HB2 B 1.902 ambi=2 { CB:41.306 } atom: 751 80I-HG2 G2 1.268 ambi=1 { CG2:19.03 } ::sumAvg: 4.375 atom: 751 80I-HG2 G2 1.268 ambi=1 { CG2:19.03 } atom: 930 97D-HA A 4.844 ambi=1 { CA:53.201 } ::sumAvg: 4.74 atom: 751 80I-HG2 G2 1.268 ambi=1 { CG2:19.03 } atom: 941 99N-H N 8.787 ambi=1 { N:113.485 } ::sumAvg: 4.975 atom: 751 80I-HG2 G2 1.268 ambi=1 { CG2:19.03 } atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } :: atom: 751 80I-HG2 G2 1.268 ambi=1 { CG2:19.03 } atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } ::sumAvg: 4.865 atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 751 80I-HG2 G2 1.268 ambi=1 { CG2:19.03 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 751 80I-HG2 G2 1.268 ambi=1 { CG2:19.03 } ::sumAvg: 4.61 atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } atom: 759 81R-H N 9.063 ambi=1 { N:117.402 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 759 81R-H N 9.063 ambi=1 { N:117.402 } ::sumAvg: 4.165 atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } atom: 920 96F-QE E 7.246 ambi=3 { CE1:130.774 CE2:130.942 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 920 96F-QE E 7.246 ambi=3 { CE1:130.774 CE2:130.942 } ::sumAvg: 4.45 atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } atom: 922 96F-HZ Z 7.08 ambi=1 { CZ:129 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 922 96F-HZ Z 7.08 ambi=1 { CZ:129 } ::sumAvg: 4.825 atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } atom: 937 98A-HA A 4.135 ambi=1 { CA:56.521 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 937 98A-HA A 4.135 ambi=1 { CA:56.521 } ::sumAvg: 4.68 atom: 937 98A-HA A 4.135 ambi=1 { CA:56.521 } atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } :: atom: 937 98A-HA A 4.135 ambi=1 { CA:56.521 } atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } ::sumAvg: 4.68 atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } ::sumAvg: 3.915 atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } ::sumAvg: 4.57 atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } :: atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } :: atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } ::sumAvg: 4.57 atom: 754 80I-HG12 G1 2.162 ambi=2 { CG1:29.647 } atom: 965 101L-HG G 1.619 ambi=1 { CG:27.501 } :: atom: 755 80I-HG13 G1 0.869 ambi=2 { CG1:29.647 } atom: 965 101L-HG G 1.619 ambi=1 { CG:27.501 } ::sumAvg: 4.795 atom: 756 80I-HD1 D1 1.269 ambi=1 { CD1:14.08 } atom: 918 96F-QD D 7.273 ambi=3 { QCD:133.905 } ::sumAvg: 4.815 atom: 756 80I-HD1 D1 1.269 ambi=1 { CD1:14.08 } atom: 922 96F-HZ Z 7.08 ambi=1 { CZ:129 } ::sumAvg: 4.56 atom: 756 80I-HD1 D1 1.269 ambi=1 { CD1:14.08 } atom: 935 98A-H N 9.208 ambi=1 { N:128.568 } ::sumAvg: 4.895 atom: 756 80I-HD1 D1 1.269 ambi=1 { CD1:14.08 } atom: 941 99N-H N 8.787 ambi=1 { N:113.485 } ::sumAvg: 4.975 atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } atom: 759 81R-H N 9.063 ambi=1 { N:117.402 } ::sumAvg: 4.665 atom: 800 84L-HG G 1.887 ambi=1 { CG:26.06 } atom: 759 81R-H N 9.063 ambi=1 { N:117.402 } ::sumAvg: 4.665 atom: 801 84L-HD1 D1 0.748 ambi=2 { CD1:25.866 } atom: 759 81R-H N 9.063 ambi=1 { N:117.402 } :: atom: 802 84L-HD2 D2 0.136 ambi=2 { CD2:20.83 } atom: 759 81R-H N 9.063 ambi=1 { N:117.402 } ::sumAvg: 4.055 atom: 761 81R-HA A 3.992 ambi=1 { CA:60.412 } atom: 772 81R-HE E 7.183 ambi=1 { NE:84.31 } ::sumAvg: 4.09 atom: 761 81R-HA A 3.992 ambi=1 { CA:60.412 } atom: 776 82E-HA A 4.545 ambi=1 { CA:58.642 } ::sumAvg: 4.82 atom: 761 81R-HA A 3.992 ambi=1 { CA:60.412 } atom: 784 83F-H N 7.844 ambi=1 { N:121.118 } ::sumAvg: 4.425 atom: 788 83F-HB2 B 3.515 ambi=2 { CB:38.116 } atom: 761 81R-HA A 3.992 ambi=1 { CA:60.412 } :: atom: 789 83F-HB3 B 3.209 ambi=2 { CB:38.116 } atom: 761 81R-HA A 3.992 ambi=1 { CA:60.412 } ::sumAvg: 4.885 atom: 810 85R-QB B 1.946 ambi=2 { CB:29.169 } atom: 761 81R-HA A 3.992 ambi=1 { CA:60.412 } ::sumAvg: 4.82 atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } atom: 761 81R-HA A 3.992 ambi=1 { CA:60.412 } ::sumAvg: 3.775 atom: 763 81R-HB2 B 1.907 ambi=2 { CB:29.617 } atom: 776 82E-HA A 4.545 ambi=1 { CA:58.642 } :: atom: 764 81R-HB3 B 2.052 ambi=2 { CB:29.617 } atom: 776 82E-HA A 4.545 ambi=1 { CA:58.642 } ::sumAvg: 4.295 atom: 763 81R-HB2 B 1.907 ambi=2 { CB:29.617 } atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } ::sumAvg: 4.535 atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } atom: 763 81R-HB2 B 1.907 ambi=2 { CB:29.617 } ::sumAvg: 4.535 atom: 763 81R-HB2 B 1.907 ambi=2 { CB:29.617 } atom: 798 84L-HB3 B 1.312 ambi=2 { CB:41.306 } :: atom: 764 81R-HB3 B 2.052 ambi=2 { CB:29.617 } atom: 798 84L-HB3 B 1.312 ambi=2 { CB:41.306 } ::sumAvg: 4.41 atom: 766 81R-QG G 1.58 ambi=2 { CG:29.663 } atom: 772 81R-HE E 7.183 ambi=1 { NE:84.31 } ::sumAvg: 2.755 atom: 766 81R-QG G 1.58 ambi=2 { CG:29.663 } atom: 774 82E-H N 8.445 ambi=1 { N:124.127 } ::sumAvg: 3.585 atom: 766 81R-QG G 1.58 ambi=2 { CG:29.663 } atom: 776 82E-HA A 4.545 ambi=1 { CA:58.642 } ::sumAvg: 4.51 atom: 797 84L-HB2 B 1.902 ambi=2 { CB:41.306 } atom: 769 81R-HD2 D 3.201 ambi=2 { CD:43.311 } :: atom: 798 84L-HB3 B 1.312 ambi=2 { CB:41.306 } atom: 769 81R-HD2 D 3.201 ambi=2 { CD:43.311 } :: atom: 797 84L-HB2 B 1.902 ambi=2 { CB:41.306 } atom: 770 81R-HD3 D 3.13 ambi=2 { CD:43.311 } :: atom: 798 84L-HB3 B 1.312 ambi=2 { CB:41.306 } atom: 770 81R-HD3 D 3.13 ambi=2 { CD:43.311 } ::sumAvg: 4.85 atom: 769 81R-HD2 D 3.201 ambi=2 { CD:43.311 } atom: 801 84L-HD1 D1 0.748 ambi=2 { CD1:25.866 } :: atom: 769 81R-HD2 D 3.201 ambi=2 { CD:43.311 } atom: 802 84L-HD2 D2 0.136 ambi=2 { CD2:20.83 } :: atom: 770 81R-HD3 D 3.13 ambi=2 { CD:43.311 } atom: 801 84L-HD1 D1 0.748 ambi=2 { CD1:25.866 } :: atom: 770 81R-HD3 D 3.13 ambi=2 { CD:43.311 } atom: 802 84L-HD2 D2 0.136 ambi=2 { CD2:20.83 } ::sumAvg: 3.705 atom: 801 84L-HD1 D1 0.748 ambi=2 { CD1:25.866 } atom: 769 81R-HD2 D 3.201 ambi=2 { CD:43.311 } :: atom: 802 84L-HD2 D2 0.136 ambi=2 { CD2:20.83 } atom: 769 81R-HD2 D 3.201 ambi=2 { CD:43.311 } :: atom: 801 84L-HD1 D1 0.748 ambi=2 { CD1:25.866 } atom: 770 81R-HD3 D 3.13 ambi=2 { CD:43.311 } :: atom: 802 84L-HD2 D2 0.136 ambi=2 { CD2:20.83 } atom: 770 81R-HD3 D 3.13 ambi=2 { CD:43.311 } ::sumAvg: 3.705 atom: 769 81R-HD2 D 3.201 ambi=2 { CD:43.311 } atom: 935 98A-H N 9.208 ambi=1 { N:128.568 } :: atom: 770 81R-HD3 D 3.13 ambi=2 { CD:43.311 } atom: 935 98A-H N 9.208 ambi=1 { N:128.568 } ::sumAvg: 4.82 atom: 769 81R-HD2 D 3.201 ambi=2 { CD:43.311 } atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } :: atom: 770 81R-HD3 D 3.13 ambi=2 { CD:43.311 } atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } ::sumAvg: 3.47 atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } atom: 772 81R-HE E 7.183 ambi=1 { NE:84.31 } ::sumAvg: 4.615 atom: 788 83F-HB2 B 3.515 ambi=2 { CB:38.116 } atom: 774 82E-H N 8.445 ambi=1 { N:124.127 } :: atom: 789 83F-HB3 B 3.209 ambi=2 { CB:38.116 } atom: 774 82E-H N 8.445 ambi=1 { N:124.127 } ::sumAvg: 4.765 atom: 810 85R-QB B 1.946 ambi=2 { CB:29.169 } atom: 774 82E-H N 8.445 ambi=1 { N:124.127 } ::sumAvg: 4.48 atom: 813 85R-HG2 G 1.498 ambi=2 { CG:25.371 } atom: 776 82E-HA A 4.545 ambi=1 { CA:58.642 } :: atom: 814 85R-HG3 G 1.645 ambi=2 { CG:25.371 } atom: 776 82E-HA A 4.545 ambi=1 { CA:58.642 } ::sumAvg: 4.41 atom: 816 85R-HD2 D 3.035 ambi=2 { CD:42.242 } atom: 776 82E-HA A 4.545 ambi=1 { CA:58.642 } :: atom: 817 85R-HD3 D 3.333 ambi=2 { CD:42.242 } atom: 776 82E-HA A 4.545 ambi=1 { CA:58.642 } ::sumAvg: 4.325 atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } ::sumAvg: 4.13 atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } ::sumAvg: 4.13 atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } atom: 788 83F-HB2 B 3.515 ambi=2 { CB:38.116 } :: atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } atom: 789 83F-HB3 B 3.209 ambi=2 { CB:38.116 } ::sumAvg: 4.325 atom: 788 83F-HB2 B 3.515 ambi=2 { CB:38.116 } atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } :: atom: 789 83F-HB3 B 3.209 ambi=2 { CB:38.116 } atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } ::sumAvg: 4.325 atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } atom: 793 84L-H N 8.494 ambi=1 { N:120.202 } ::sumAvg: 4.785 atom: 778 82E-QB B 2.339 ambi=2 { CB:28.649 } atom: 806 85R-H N 8.747 ambi=1 { N:122.767 } ::sumAvg: 4.795 atom: 781 82E-HG2 G 2.516 ambi=2 { CG:35 } atom: 784 83F-H N 7.844 ambi=1 { N:121.118 } :: atom: 782 82E-HG3 G 2.947 ambi=2 { CG:35 } atom: 784 83F-H N 7.844 ambi=1 { N:121.118 } ::sumAvg: 4.165 atom: 810 85R-QB B 1.946 ambi=2 { CB:29.169 } atom: 781 82E-HG2 G 2.516 ambi=2 { CG:35 } :: atom: 810 85R-QB B 1.946 ambi=2 { CB:29.169 } atom: 782 82E-HG3 G 2.947 ambi=2 { CG:35 } ::sumAvg: 4.375 atom: 797 84L-HB2 B 1.902 ambi=2 { CB:41.306 } atom: 784 83F-H N 7.844 ambi=1 { N:121.118 } :: atom: 798 84L-HB3 B 1.312 ambi=2 { CB:41.306 } atom: 784 83F-H N 7.844 ambi=1 { N:121.118 } ::sumAvg: 4.915 atom: 800 84L-HG G 1.887 ambi=1 { CG:26.06 } atom: 784 83F-H N 7.844 ambi=1 { N:121.118 } ::sumAvg: 4.475 atom: 810 85R-QB B 1.946 ambi=2 { CB:29.169 } atom: 784 83F-H N 7.844 ambi=1 { N:121.118 } ::sumAvg: 4.69 atom: 795 84L-HA A 3.499 ambi=1 { CA:57.676 } atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } ::sumAvg: 4.82 atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } atom: 806 85R-H N 8.747 ambi=1 { N:122.767 } ::sumAvg: 4.42 atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } atom: 810 85R-QB B 1.946 ambi=2 { CB:29.169 } ::sumAvg: 4.905 atom: 810 85R-QB B 1.946 ambi=2 { CB:29.169 } atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } ::sumAvg: 4.905 atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } atom: 823 86G-HA2 A 3.405 ambi=2 { CA:47.052 } :: atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } atom: 824 86G-HA3 A 3.72 ambi=2 { CA:47.052 } ::sumAvg: 4.375 atom: 823 86G-HA2 A 3.405 ambi=2 { CA:47.052 } atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } :: atom: 824 86G-HA3 A 3.72 ambi=2 { CA:47.052 } atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } ::sumAvg: 4.375 atom: 786 83F-HA A 4.146 ambi=1 { CA:61.326 } atom: 832 87C-HG G 1.315 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.78 atom: 788 83F-HB2 B 3.515 ambi=2 { CB:38.116 } atom: 806 85R-H N 8.747 ambi=1 { N:122.767 } :: atom: 789 83F-HB3 B 3.209 ambi=2 { CB:38.116 } atom: 806 85R-H N 8.747 ambi=1 { N:122.767 } ::sumAvg: 4.89 atom: 922 96F-HZ Z 7.08 ambi=1 { CZ:129 } atom: 788 83F-HB2 B 3.515 ambi=2 { CB:38.116 } :: atom: 922 96F-HZ Z 7.08 ambi=1 { CZ:129 } atom: 789 83F-HB3 B 3.209 ambi=2 { CB:38.116 } ::sumAvg: 4.675 atom: 795 84L-HA A 3.499 ambi=1 { CA:57.676 } atom: 808 85R-HA A 3.932 ambi=1 { CA:58.863 } ::sumAvg: 4.84 atom: 888 93L-HD1 D1 0.829 ambi=2 { CD1:25.264 } atom: 795 84L-HA A 3.499 ambi=1 { CA:57.676 } :: atom: 889 93L-HD2 D2 0.755 ambi=2 { CD2:24.827 } atom: 795 84L-HA A 3.499 ambi=1 { CA:57.676 } ::sumAvg: 4.925 atom: 795 84L-HA A 3.499 ambi=1 { CA:57.676 } atom: 905 95T-HA A 4.549 ambi=1 { CA:59.797 } ::sumAvg: 4.94 atom: 795 84L-HA A 3.499 ambi=1 { CA:57.676 } atom: 911 96F-H N 7.393 ambi=1 { N:117.515 } ::sumAvg: 4.96 atom: 797 84L-HB2 B 1.902 ambi=2 { CB:41.306 } atom: 808 85R-HA A 3.932 ambi=1 { CA:58.863 } :: atom: 798 84L-HB3 B 1.312 ambi=2 { CB:41.306 } atom: 808 85R-HA A 3.932 ambi=1 { CA:58.863 } ::sumAvg: 4.255 atom: 808 85R-HA A 3.932 ambi=1 { CA:58.863 } atom: 797 84L-HB2 B 1.902 ambi=2 { CB:41.306 } :: atom: 808 85R-HA A 3.932 ambi=1 { CA:58.863 } atom: 798 84L-HB3 B 1.312 ambi=2 { CB:41.306 } ::sumAvg: 4.255 atom: 798 84L-HB3 B 1.312 ambi=2 { CB:41.306 } atom: 810 85R-QB B 1.946 ambi=2 { CB:29.169 } ::sumAvg: 4.06 atom: 810 85R-QB B 1.946 ambi=2 { CB:29.169 } atom: 798 84L-HB3 B 1.312 ambi=2 { CB:41.306 } ::sumAvg: 4.06 atom: 797 84L-HB2 B 1.902 ambi=2 { CB:41.306 } atom: 834 88G-H N 7.858 ambi=1 { N:106.363 } :: atom: 798 84L-HB3 B 1.312 ambi=2 { CB:41.306 } atom: 834 88G-H N 7.858 ambi=1 { N:106.363 } ::sumAvg: 4.895 atom: 797 84L-HB2 B 1.902 ambi=2 { CB:41.306 } atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } :: atom: 798 84L-HB3 B 1.312 ambi=2 { CB:41.306 } atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } ::sumAvg: 4.95 atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } atom: 797 84L-HB2 B 1.902 ambi=2 { CB:41.306 } :: atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } atom: 798 84L-HB3 B 1.312 ambi=2 { CB:41.306 } ::sumAvg: 4.95 atom: 797 84L-HB2 B 1.902 ambi=2 { CB:41.306 } atom: 907 95T-HB B 3.89 ambi=1 { CB:68.168 } :: atom: 798 84L-HB3 B 1.312 ambi=2 { CB:41.306 } atom: 907 95T-HB B 3.89 ambi=1 { CB:68.168 } ::sumAvg: 3.225 atom: 797 84L-HB2 B 1.902 ambi=2 { CB:41.306 } atom: 908 95T-HG2 G2 0.975 ambi=1 { CG2:21.165 } ::sumAvg: 3.18 atom: 797 84L-HB2 B 1.902 ambi=2 { CB:41.306 } atom: 911 96F-H N 7.393 ambi=1 { N:117.515 } :: atom: 798 84L-HB3 B 1.312 ambi=2 { CB:41.306 } atom: 911 96F-H N 7.393 ambi=1 { N:117.515 } ::sumAvg: 4.73 atom: 800 84L-HG G 1.887 ambi=1 { CG:26.06 } atom: 920 96F-QE E 7.246 ambi=3 { CE1:130.774 CE2:130.942 } ::sumAvg: 4.465 atom: 922 96F-HZ Z 7.08 ambi=1 { CZ:129 } atom: 800 84L-HG G 1.887 ambi=1 { CG:26.06 } ::sumAvg: 4.59 atom: 800 84L-HG G 1.887 ambi=1 { CG:26.06 } atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } ::sumAvg: 4.46 atom: 801 84L-HD1 D1 0.748 ambi=2 { CD1:25.866 } atom: 932 97D-HB2 B 2.791 ambi=2 { CB:43.473 } :: atom: 801 84L-HD1 D1 0.748 ambi=2 { CD1:25.866 } atom: 933 97D-HB3 B 2.605 ambi=2 { CB:43.473 } :: atom: 802 84L-HD2 D2 0.136 ambi=2 { CD2:20.83 } atom: 932 97D-HB2 B 2.791 ambi=2 { CB:43.473 } :: atom: 802 84L-HD2 D2 0.136 ambi=2 { CD2:20.83 } atom: 933 97D-HB3 B 2.605 ambi=2 { CB:43.473 } ::sumAvg: 4.86 atom: 932 97D-HB2 B 2.791 ambi=2 { CB:43.473 } atom: 801 84L-HD1 D1 0.748 ambi=2 { CD1:25.866 } :: atom: 933 97D-HB3 B 2.605 ambi=2 { CB:43.473 } atom: 801 84L-HD1 D1 0.748 ambi=2 { CD1:25.866 } :: atom: 932 97D-HB2 B 2.791 ambi=2 { CB:43.473 } atom: 802 84L-HD2 D2 0.136 ambi=2 { CD2:20.83 } :: atom: 933 97D-HB3 B 2.605 ambi=2 { CB:43.473 } atom: 802 84L-HD2 D2 0.136 ambi=2 { CD2:20.83 } ::sumAvg: 4.86 atom: 816 85R-HD2 D 3.035 ambi=2 { CD:42.242 } atom: 806 85R-H N 8.747 ambi=1 { N:122.767 } :: atom: 817 85R-HD3 D 3.333 ambi=2 { CD:42.242 } atom: 806 85R-H N 8.747 ambi=1 { N:122.767 } ::sumAvg: 4.275 atom: 808 85R-HA A 3.932 ambi=1 { CA:58.863 } atom: 823 86G-HA2 A 3.405 ambi=2 { CA:47.052 } ::sumAvg: 4.78 atom: 823 86G-HA2 A 3.405 ambi=2 { CA:47.052 } atom: 808 85R-HA A 3.932 ambi=1 { CA:58.863 } ::sumAvg: 4.78 atom: 808 85R-HA A 3.932 ambi=1 { CA:58.863 } atom: 842 89A-HB B 1.44 ambi=1 { CB:18.693 } ::sumAvg: 4.08 atom: 842 89A-HB B 1.44 ambi=1 { CB:18.693 } atom: 808 85R-HA A 3.932 ambi=1 { CA:58.863 } ::sumAvg: 4.08 atom: 808 85R-HA A 3.932 ambi=1 { CA:58.863 } atom: 908 95T-HG2 G2 0.975 ambi=1 { CG2:21.165 } ::sumAvg: 4.93 atom: 908 95T-HG2 G2 0.975 ambi=1 { CG2:21.165 } atom: 808 85R-HA A 3.932 ambi=1 { CA:58.863 } ::sumAvg: 4.93 atom: 823 86G-HA2 A 3.405 ambi=2 { CA:47.052 } atom: 810 85R-QB B 1.946 ambi=2 { CB:29.169 } :: atom: 824 86G-HA3 A 3.72 ambi=2 { CA:47.052 } atom: 810 85R-QB B 1.946 ambi=2 { CB:29.169 } ::sumAvg: 4.085 atom: 810 85R-QB B 1.946 ambi=2 { CB:29.169 } atom: 826 87C-H N 8.304 ambi=1 { N:120.507 } ::sumAvg: 4.85 atom: 810 85R-QB B 1.946 ambi=2 { CB:29.169 } atom: 842 89A-HB B 1.44 ambi=1 { CB:18.693 } ::sumAvg: 4.475 atom: 813 85R-HG2 G 1.498 ambi=2 { CG:25.371 } atom: 823 86G-HA2 A 3.405 ambi=2 { CA:47.052 } :: atom: 813 85R-HG2 G 1.498 ambi=2 { CG:25.371 } atom: 824 86G-HA3 A 3.72 ambi=2 { CA:47.052 } :: atom: 814 85R-HG3 G 1.645 ambi=2 { CG:25.371 } atom: 823 86G-HA2 A 3.405 ambi=2 { CA:47.052 } :: atom: 814 85R-HG3 G 1.645 ambi=2 { CG:25.371 } atom: 824 86G-HA3 A 3.72 ambi=2 { CA:47.052 } ::sumAvg: 4.86 atom: 823 86G-HA2 A 3.405 ambi=2 { CA:47.052 } atom: 813 85R-HG2 G 1.498 ambi=2 { CG:25.371 } :: atom: 824 86G-HA3 A 3.72 ambi=2 { CA:47.052 } atom: 813 85R-HG2 G 1.498 ambi=2 { CG:25.371 } :: atom: 823 86G-HA2 A 3.405 ambi=2 { CA:47.052 } atom: 814 85R-HG3 G 1.645 ambi=2 { CG:25.371 } :: atom: 824 86G-HA3 A 3.72 ambi=2 { CA:47.052 } atom: 814 85R-HG3 G 1.645 ambi=2 { CG:25.371 } ::sumAvg: 4.86 atom: 816 85R-HD2 D 3.035 ambi=2 { CD:42.242 } atom: 821 86G-H N 8.558 ambi=1 { N:108.05 } :: atom: 817 85R-HD3 D 3.333 ambi=2 { CD:42.242 } atom: 821 86G-H N 8.558 ambi=1 { N:108.05 } ::sumAvg: 4.61 atom: 842 89A-HB B 1.44 ambi=1 { CB:18.693 } atom: 821 86G-H N 8.558 ambi=1 { N:108.05 } ::sumAvg: 4.65 atom: 823 86G-HA2 A 3.405 ambi=2 { CA:47.052 } atom: 834 88G-H N 7.858 ambi=1 { N:106.363 } :: atom: 824 86G-HA3 A 3.72 ambi=2 { CA:47.052 } atom: 834 88G-H N 7.858 ambi=1 { N:106.363 } ::sumAvg: 4.455 atom: 823 86G-HA2 A 3.405 ambi=2 { CA:47.052 } atom: 845 90S-H N 7.722 ambi=1 { N:110.554 } :: atom: 824 86G-HA3 A 3.72 ambi=2 { CA:47.052 } atom: 845 90S-H N 7.722 ambi=1 { N:110.554 } ::sumAvg: 3.58 atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } atom: 826 87C-H N 8.304 ambi=1 { N:120.507 } ::sumAvg: 4.615 atom: 860 91L-HD1 D1 0.744 ambi=2 { CD1:26.349 } atom: 826 87C-H N 8.304 ambi=1 { N:120.507 } :: atom: 861 91L-HD2 D2 0.816 ambi=2 { CD2:22.636 } atom: 826 87C-H N 8.304 ambi=1 { N:120.507 } ::sumAvg: 4.8 atom: 908 95T-HG2 G2 0.975 ambi=1 { CG2:21.165 } atom: 828 87C-HA A 3.756 ambi=1 { CA:63.809 } ::sumAvg: 4.915 atom: 830 87C-HB2 B 2.268 ambi=2 { CB:26.744 } atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } :: atom: 831 87C-HB3 B 2.462 ambi=2 { CB:26.744 } atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } ::sumAvg: 3.965 atom: 856 91L-HB2 B 1.735 ambi=2 { CB:44.626 } atom: 830 87C-HB2 B 2.268 ambi=2 { CB:26.744 } :: atom: 857 91L-HB3 B 1.429 ambi=2 { CB:44.626 } atom: 830 87C-HB2 B 2.268 ambi=2 { CB:26.744 } :: atom: 856 91L-HB2 B 1.735 ambi=2 { CB:44.626 } atom: 831 87C-HB3 B 2.462 ambi=2 { CB:26.744 } :: atom: 857 91L-HB3 B 1.429 ambi=2 { CB:44.626 } atom: 831 87C-HB3 B 2.462 ambi=2 { CB:26.744 } ::sumAvg: 3.53 atom: 830 87C-HB2 B 2.268 ambi=2 { CB:26.744 } atom: 1142 117L-HB2 B 1.774 ambi=2 { CB:41.553 } :: atom: 831 87C-HB3 B 2.462 ambi=2 { CB:26.744 } atom: 1142 117L-HB2 B 1.774 ambi=2 { CB:41.553 } ::sumAvg: 4.955 atom: 830 87C-HB2 B 2.268 ambi=2 { CB:26.744 } atom: 1146 117L-HD1 D1 0.909 ambi=2 { CD1:23.923 } :: atom: 830 87C-HB2 B 2.268 ambi=2 { CB:26.744 } atom: 1147 117L-HD2 D2 1.133 ambi=2 { CD2:26.076 } :: atom: 831 87C-HB3 B 2.462 ambi=2 { CB:26.744 } atom: 1146 117L-HD1 D1 0.909 ambi=2 { CD1:23.923 } :: atom: 831 87C-HB3 B 2.462 ambi=2 { CB:26.744 } atom: 1147 117L-HD2 D2 1.133 ambi=2 { CD2:26.076 } ::sumAvg: 3.375 atom: 1142 117L-HB2 B 1.774 ambi=2 { CB:41.553 } atom: 832 87C-HG G 1.315 ambi=1 {attached_atom is not_assigned} :: atom: 1143 117L-HB3 B 2.232 ambi=2 { CB:41.553 } atom: 832 87C-HG G 1.315 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.485 atom: 888 93L-HD1 D1 0.829 ambi=2 { CD1:25.264 } atom: 834 88G-H N 7.858 ambi=1 { N:106.363 } :: atom: 889 93L-HD2 D2 0.755 ambi=2 { CD2:24.827 } atom: 834 88G-H N 7.858 ambi=1 { N:106.363 } ::sumAvg: 4.675 atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } atom: 841 89A-HA A 4.241 ambi=1 { CA:53.633 } ::sumAvg: 4.03 atom: 856 91L-HB2 B 1.735 ambi=2 { CB:44.626 } atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } :: atom: 857 91L-HB3 B 1.429 ambi=2 { CB:44.626 } atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } ::sumAvg: 4.645 atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } atom: 869 92R-HB2 B 1.875 ambi=2 { CB:27.566 } :: atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } atom: 870 92R-HB3 B 1.807 ambi=2 { CB:27.566 } ::sumAvg: 4.725 atom: 869 92R-HB2 B 1.875 ambi=2 { CB:27.566 } atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } :: atom: 870 92R-HB3 B 1.807 ambi=2 { CB:27.566 } atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } ::sumAvg: 4.725 atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } atom: 873 92R-QG G 1.509 ambi=2 { CG:26.756 } ::sumAvg: 4.35 atom: 873 92R-QG G 1.509 ambi=2 { CG:26.756 } atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } ::sumAvg: 4.35 atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } atom: 875 92R-QD D 3.1485 ambi=2 { CD:42.957 } ::sumAvg: 4.855 atom: 875 92R-QD D 3.1485 ambi=2 { CD:42.957 } atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } ::sumAvg: 4.855 atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } atom: 887 93L-HG G 1.492 ambi=1 { CG:26.175 } ::sumAvg: 4.175 atom: 887 93L-HG G 1.492 ambi=1 { CG:26.175 } atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } ::sumAvg: 4.175 atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } atom: 888 93L-HD1 D1 0.829 ambi=2 { CD1:25.264 } :: atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } atom: 889 93L-HD2 D2 0.755 ambi=2 { CD2:24.827 } ::sumAvg: 3.905 atom: 908 95T-HG2 G2 0.975 ambi=1 { CG2:21.165 } atom: 836 88G-QA A 3.812 ambi=2 { CA:46.676 } ::sumAvg: 2.585 atom: 849 90S-HB2 B 3.798 ambi=2 { CB:64.487 } atom: 839 89A-H N 7.957 ambi=1 { N:121.484 } :: atom: 850 90S-HB3 B 3.732 ambi=2 { CB:64.487 } atom: 839 89A-H N 7.957 ambi=1 { N:121.484 } ::sumAvg: 4.87 atom: 908 95T-HG2 G2 0.975 ambi=1 { CG2:21.165 } atom: 839 89A-H N 7.957 ambi=1 { N:121.484 } ::sumAvg: 4.96 atom: 841 89A-HA A 4.241 ambi=1 { CA:53.633 } atom: 873 92R-QG G 1.509 ambi=2 { CG:26.756 } ::sumAvg: 4.325 atom: 873 92R-QG G 1.509 ambi=2 { CG:26.756 } atom: 841 89A-HA A 4.241 ambi=1 { CA:53.633 } ::sumAvg: 4.325 atom: 841 89A-HA A 4.241 ambi=1 { CA:53.633 } atom: 875 92R-QD D 3.1485 ambi=2 { CD:42.957 } ::sumAvg: 4.315 atom: 842 89A-HB B 1.44 ambi=1 { CB:18.693 } atom: 847 90S-HA A 4.464 ambi=1 { CA:59.752 } ::sumAvg: 3.845 atom: 849 90S-HB2 B 3.798 ambi=2 { CB:64.487 } atom: 854 91L-HA A 4.506 ambi=1 { CA:54.412 } :: atom: 850 90S-HB3 B 3.732 ambi=2 { CB:64.487 } atom: 854 91L-HA A 4.506 ambi=1 { CA:54.412 } ::sumAvg: 4.395 atom: 849 90S-HB2 B 3.798 ambi=2 { CB:64.487 } atom: 865 92R-H N 7.962 ambi=1 { N:116.66 } :: atom: 850 90S-HB3 B 3.732 ambi=2 { CB:64.487 } atom: 865 92R-H N 7.962 ambi=1 { N:116.66 } ::sumAvg: 4.72 atom: 888 93L-HD1 D1 0.829 ambi=2 { CD1:25.264 } atom: 852 91L-H N 7.746 ambi=1 { N:120.202 } :: atom: 889 93L-HD2 D2 0.755 ambi=2 { CD2:24.827 } atom: 852 91L-H N 7.746 ambi=1 { N:120.202 } ::sumAvg: 4.445 atom: 869 92R-HB2 B 1.875 ambi=2 { CB:27.566 } atom: 854 91L-HA A 4.506 ambi=1 { CA:54.412 } :: atom: 870 92R-HB3 B 1.807 ambi=2 { CB:27.566 } atom: 854 91L-HA A 4.506 ambi=1 { CA:54.412 } ::sumAvg: 4.43 atom: 888 93L-HD1 D1 0.829 ambi=2 { CD1:25.264 } atom: 854 91L-HA A 4.506 ambi=1 { CA:54.412 } :: atom: 889 93L-HD2 D2 0.755 ambi=2 { CD2:24.827 } atom: 854 91L-HA A 4.506 ambi=1 { CA:54.412 } ::sumAvg: 4.5 atom: 856 91L-HB2 B 1.735 ambi=2 { CB:44.626 } atom: 867 92R-HA A 4.184 ambi=1 { CA:56.144 } :: atom: 857 91L-HB3 B 1.429 ambi=2 { CB:44.626 } atom: 867 92R-HA A 4.184 ambi=1 { CA:56.144 } ::sumAvg: 4.915 atom: 867 92R-HA A 4.184 ambi=1 { CA:56.144 } atom: 856 91L-HB2 B 1.735 ambi=2 { CB:44.626 } :: atom: 867 92R-HA A 4.184 ambi=1 { CA:56.144 } atom: 857 91L-HB3 B 1.429 ambi=2 { CB:44.626 } ::sumAvg: 4.915 atom: 856 91L-HB2 B 1.735 ambi=2 { CB:44.626 } atom: 882 93L-HA A 4.382 ambi=1 { CA:53.965 } :: atom: 857 91L-HB3 B 1.429 ambi=2 { CB:44.626 } atom: 882 93L-HA A 4.382 ambi=1 { CA:53.965 } ::sumAvg: 4.65 atom: 856 91L-HB2 B 1.735 ambi=2 { CB:44.626 } atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } ::sumAvg: 4.74 atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } atom: 856 91L-HB2 B 1.735 ambi=2 { CB:44.626 } ::sumAvg: 4.74 atom: 856 91L-HB2 B 1.735 ambi=2 { CB:44.626 } atom: 1181 120V-HB B 2.297 ambi=1 { CB:31.747 } :: atom: 857 91L-HB3 B 1.429 ambi=2 { CB:44.626 } atom: 1181 120V-HB B 2.297 ambi=1 { CB:31.747 } ::sumAvg: 4.065 atom: 1181 120V-HB B 2.297 ambi=1 { CB:31.747 } atom: 856 91L-HB2 B 1.735 ambi=2 { CB:44.626 } :: atom: 1181 120V-HB B 2.297 ambi=1 { CB:31.747 } atom: 857 91L-HB3 B 1.429 ambi=2 { CB:44.626 } ::sumAvg: 4.065 atom: 859 91L-HG G 1.489 ambi=1 { CG:26.381 } atom: 1146 117L-HD1 D1 0.909 ambi=2 { CD1:23.923 } ::sumAvg: 4.335 atom: 1146 117L-HD1 D1 0.909 ambi=2 { CD1:23.923 } atom: 859 91L-HG G 1.489 ambi=1 { CG:26.381 } ::sumAvg: 4.335 atom: 860 91L-HD1 D1 0.744 ambi=2 { CD1:26.349 } atom: 1179 120V-HA A 4.082 ambi=1 { CA:64.531 } :: atom: 861 91L-HD2 D2 0.816 ambi=2 { CD2:22.636 } atom: 1179 120V-HA A 4.082 ambi=1 { CA:64.531 } ::sumAvg: 4.475 atom: 1179 120V-HA A 4.082 ambi=1 { CA:64.531 } atom: 860 91L-HD1 D1 0.744 ambi=2 { CD1:26.349 } :: atom: 1179 120V-HA A 4.082 ambi=1 { CA:64.531 } atom: 861 91L-HD2 D2 0.816 ambi=2 { CD2:22.636 } ::sumAvg: 4.475 atom: 860 91L-HD1 D1 0.744 ambi=2 { CD1:26.349 } atom: 1187 121T-H N 7.689 ambi=1 { N:109.088 } :: atom: 861 91L-HD2 D2 0.816 ambi=2 { CD2:22.636 } atom: 1187 121T-H N 7.689 ambi=1 { N:109.088 } ::sumAvg: 4.375 atom: 1216 124I-HG12 G1 1.552 ambi=2 { CG1:27.374 } atom: 860 91L-HD1 D1 0.744 ambi=2 { CD1:26.349 } :: atom: 1217 124I-HG13 G1 1.24 ambi=2 { CG1:27.374 } atom: 860 91L-HD1 D1 0.744 ambi=2 { CD1:26.349 } :: atom: 1216 124I-HG12 G1 1.552 ambi=2 { CG1:27.374 } atom: 861 91L-HD2 D2 0.816 ambi=2 { CD2:22.636 } :: atom: 1217 124I-HG13 G1 1.24 ambi=2 { CG1:27.374 } atom: 861 91L-HD2 D2 0.816 ambi=2 { CD2:22.636 } ::sumAvg: 4.41 atom: 867 92R-HA A 4.184 ambi=1 { CA:56.144 } atom: 908 95T-HG2 G2 0.975 ambi=1 { CG2:21.165 } ::sumAvg: 4.575 atom: 908 95T-HG2 G2 0.975 ambi=1 { CG2:21.165 } atom: 867 92R-HA A 4.184 ambi=1 { CA:56.144 } ::sumAvg: 4.575 atom: 869 92R-HB2 B 1.875 ambi=2 { CB:27.566 } atom: 882 93L-HA A 4.382 ambi=1 { CA:53.965 } :: atom: 870 92R-HB3 B 1.807 ambi=2 { CB:27.566 } atom: 882 93L-HA A 4.382 ambi=1 { CA:53.965 } ::sumAvg: 4.61 atom: 882 93L-HA A 4.382 ambi=1 { CA:53.965 } atom: 869 92R-HB2 B 1.875 ambi=2 { CB:27.566 } :: atom: 882 93L-HA A 4.382 ambi=1 { CA:53.965 } atom: 870 92R-HB3 B 1.807 ambi=2 { CB:27.566 } ::sumAvg: 4.61 atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } atom: 880 93L-H N 7.092 ambi=1 { N:119.225 } ::sumAvg: 4.915 atom: 1182 120V-HG1 G1 1.031 ambi=2 { CG1:21.063 } atom: 880 93L-H N 7.092 ambi=1 { N:119.225 } :: atom: 1183 120V-HG2 G2 1.121 ambi=2 { CG2:21.166 } atom: 880 93L-H N 7.092 ambi=1 { N:119.225 } ::sumAvg: 4.75 atom: 900 94E-HG2 G 2.238 ambi=2 { CG:35.907 } atom: 882 93L-HA A 4.382 ambi=1 { CA:53.965 } :: atom: 901 94E-HG3 G 2.268 ambi=2 { CG:35.907 } atom: 882 93L-HA A 4.382 ambi=1 { CA:53.965 } ::sumAvg: 4.455 atom: 882 93L-HA A 4.382 ambi=1 { CA:53.965 } atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } ::sumAvg: 3.5 atom: 882 93L-HA A 4.382 ambi=1 { CA:53.965 } atom: 1182 120V-HG1 G1 1.031 ambi=2 { CG1:21.063 } :: atom: 882 93L-HA A 4.382 ambi=1 { CA:53.965 } atom: 1183 120V-HG2 G2 1.121 ambi=2 { CG2:21.166 } ::sumAvg: 4.335 atom: 884 93L-HB2 B 1.465 ambi=2 { CB:43.833 } atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } :: atom: 885 93L-HB3 B 1.383 ambi=2 { CB:43.833 } atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } ::sumAvg: 4.73 atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } atom: 884 93L-HB2 B 1.465 ambi=2 { CB:43.833 } :: atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } atom: 885 93L-HB3 B 1.383 ambi=2 { CB:43.833 } ::sumAvg: 3.375 atom: 884 93L-HB2 B 1.465 ambi=2 { CB:43.833 } atom: 1140 117L-HA A 3.987 ambi=1 { CA:57.978 } :: atom: 885 93L-HB3 B 1.383 ambi=2 { CB:43.833 } atom: 1140 117L-HA A 3.987 ambi=1 { CA:57.978 } ::sumAvg: 4.92 atom: 887 93L-HG G 1.492 ambi=1 { CG:26.175 } atom: 905 95T-HA A 4.549 ambi=1 { CA:59.797 } ::sumAvg: 4.985 atom: 887 93L-HG G 1.492 ambi=1 { CG:26.175 } atom: 1146 117L-HD1 D1 0.909 ambi=2 { CD1:23.923 } ::sumAvg: 4.665 atom: 1146 117L-HD1 D1 0.909 ambi=2 { CD1:23.923 } atom: 887 93L-HG G 1.492 ambi=1 { CG:26.175 } ::sumAvg: 4.665 atom: 888 93L-HD1 D1 0.829 ambi=2 { CD1:25.264 } atom: 895 94E-HA A 4.27 ambi=1 { CA:56.376 } :: atom: 889 93L-HD2 D2 0.755 ambi=2 { CD2:24.827 } atom: 895 94E-HA A 4.27 ambi=1 { CA:56.376 } ::sumAvg: 4.31 atom: 897 94E-HB2 B 1.996 ambi=2 { CB:29.559 } atom: 888 93L-HD1 D1 0.829 ambi=2 { CD1:25.264 } :: atom: 898 94E-HB3 B 1.952 ambi=2 { CB:29.559 } atom: 888 93L-HD1 D1 0.829 ambi=2 { CD1:25.264 } :: atom: 897 94E-HB2 B 1.996 ambi=2 { CB:29.559 } atom: 889 93L-HD2 D2 0.755 ambi=2 { CD2:24.827 } :: atom: 898 94E-HB3 B 1.952 ambi=2 { CB:29.559 } atom: 889 93L-HD2 D2 0.755 ambi=2 { CD2:24.827 } ::sumAvg: 4.01 atom: 888 93L-HD1 D1 0.829 ambi=2 { CD1:25.264 } atom: 903 95T-H N 8.398 ambi=1 { N:115.988 } :: atom: 889 93L-HD2 D2 0.755 ambi=2 { CD2:24.827 } atom: 903 95T-H N 8.398 ambi=1 { N:115.988 } ::sumAvg: 4.055 atom: 888 93L-HD1 D1 0.829 ambi=2 { CD1:25.264 } atom: 905 95T-HA A 4.549 ambi=1 { CA:59.797 } :: atom: 889 93L-HD2 D2 0.755 ambi=2 { CD2:24.827 } atom: 905 95T-HA A 4.549 ambi=1 { CA:59.797 } ::sumAvg: 3.325 atom: 888 93L-HD1 D1 0.829 ambi=2 { CD1:25.264 } atom: 1181 120V-HB B 2.297 ambi=1 { CB:31.747 } :: atom: 889 93L-HD2 D2 0.755 ambi=2 { CD2:24.827 } atom: 1181 120V-HB B 2.297 ambi=1 { CB:31.747 } ::sumAvg: 4.52 atom: 908 95T-HG2 G2 0.975 ambi=1 { CG2:21.165 } atom: 893 94E-H N 8.538 ambi=1 { N:123.988 } ::sumAvg: 4.67 atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } atom: 893 94E-H N 8.538 ambi=1 { N:123.988 } ::sumAvg: 4.69 atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } atom: 893 94E-H N 8.538 ambi=1 { N:123.988 } ::sumAvg: 4.18 atom: 1098 112S-QB B 3.892 ambi=2 { CB:62.397 } atom: 897 94E-HB2 B 1.996 ambi=2 { CB:29.559 } :: atom: 1098 112S-QB B 3.892 ambi=2 { CB:62.397 } atom: 898 94E-HB3 B 1.952 ambi=2 { CB:29.559 } ::sumAvg: 4.725 atom: 897 94E-HB2 B 1.996 ambi=2 { CB:29.559 } atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } :: atom: 898 94E-HB3 B 1.952 ambi=2 { CB:29.559 } atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } ::sumAvg: 3.73 atom: 897 94E-HB2 B 1.996 ambi=2 { CB:29.559 } atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } :: atom: 898 94E-HB3 B 1.952 ambi=2 { CB:29.559 } atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } ::sumAvg: 4.57 atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } atom: 897 94E-HB2 B 1.996 ambi=2 { CB:29.559 } :: atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } atom: 898 94E-HB3 B 1.952 ambi=2 { CB:29.559 } ::sumAvg: 4.57 atom: 897 94E-HB2 B 1.996 ambi=2 { CB:29.559 } atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } :: atom: 898 94E-HB3 B 1.952 ambi=2 { CB:29.559 } atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } ::sumAvg: 4.15 atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } atom: 897 94E-HB2 B 1.996 ambi=2 { CB:29.559 } :: atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } atom: 898 94E-HB3 B 1.952 ambi=2 { CB:29.559 } ::sumAvg: 4.15 atom: 900 94E-HG2 G 2.238 ambi=2 { CG:35.907 } atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } :: atom: 901 94E-HG3 G 2.268 ambi=2 { CG:35.907 } atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } ::sumAvg: 4.57 atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } atom: 900 94E-HG2 G 2.238 ambi=2 { CG:35.907 } :: atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } atom: 901 94E-HG3 G 2.268 ambi=2 { CG:35.907 } ::sumAvg: 4.57 atom: 900 94E-HG2 G 2.238 ambi=2 { CG:35.907 } atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } :: atom: 901 94E-HG3 G 2.268 ambi=2 { CG:35.907 } atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } ::sumAvg: 4.72 atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } atom: 900 94E-HG2 G 2.238 ambi=2 { CG:35.907 } :: atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } atom: 901 94E-HG3 G 2.268 ambi=2 { CG:35.907 } ::sumAvg: 4.72 atom: 900 94E-HG2 G 2.238 ambi=2 { CG:35.907 } atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } :: atom: 901 94E-HG3 G 2.268 ambi=2 { CG:35.907 } atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } ::sumAvg: 3.2 atom: 915 96F-HB2 B 3.514 ambi=2 { CB:38.608 } atom: 905 95T-HA A 4.549 ambi=1 { CA:59.797 } :: atom: 916 96F-HB3 B 2.93 ambi=2 { CB:38.608 } atom: 905 95T-HA A 4.549 ambi=1 { CA:59.797 } ::sumAvg: 4.465 atom: 920 96F-QE E 7.246 ambi=3 { CE1:130.774 CE2:130.942 } atom: 905 95T-HA A 4.549 ambi=1 { CA:59.797 } ::sumAvg: 4.745 atom: 907 95T-HB B 3.89 ambi=1 { CB:68.168 } atom: 913 96F-HA A 4.809 ambi=1 { CA:55.062 } ::sumAvg: 4.515 atom: 908 95T-HG2 G2 0.975 ambi=1 { CG2:21.165 } atom: 1104 113S-HB2 B 4.151 ambi=2 { CB:63.309 } :: atom: 908 95T-HG2 G2 0.975 ambi=1 { CG2:21.165 } atom: 1105 113S-HB3 B 4.298 ambi=2 { CB:63.309 } ::sumAvg: 4.785 atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } atom: 911 96F-H N 7.393 ambi=1 { N:117.515 } ::sumAvg: 4.955 atom: 1104 113S-HB2 B 4.151 ambi=2 { CB:63.309 } atom: 911 96F-H N 7.393 ambi=1 { N:117.515 } :: atom: 1105 113S-HB3 B 4.298 ambi=2 { CB:63.309 } atom: 911 96F-H N 7.393 ambi=1 { N:117.515 } ::sumAvg: 3.91 atom: 915 96F-HB2 B 3.514 ambi=2 { CB:38.608 } atom: 932 97D-HB2 B 2.791 ambi=2 { CB:43.473 } :: atom: 915 96F-HB2 B 3.514 ambi=2 { CB:38.608 } atom: 933 97D-HB3 B 2.605 ambi=2 { CB:43.473 } ::sumAvg: 4.56 atom: 955 100D-HB2 B 2.894 ambi=2 { CB:39.632 } atom: 915 96F-HB2 B 3.514 ambi=2 { CB:38.608 } ::sumAvg: 3.945 atom: 915 96F-HB2 B 3.514 ambi=2 { CB:38.608 } atom: 1056 109K-HA A 4.052 ambi=1 { CA:58.546 } :: atom: 916 96F-HB3 B 2.93 ambi=2 { CB:38.608 } atom: 1056 109K-HA A 4.052 ambi=1 { CA:58.546 } ::sumAvg: 4.21 atom: 1056 109K-HA A 4.052 ambi=1 { CA:58.546 } atom: 915 96F-HB2 B 3.514 ambi=2 { CB:38.608 } :: atom: 1056 109K-HA A 4.052 ambi=1 { CA:58.546 } atom: 916 96F-HB3 B 2.93 ambi=2 { CB:38.608 } ::sumAvg: 4.21 atom: 915 96F-HB2 B 3.514 ambi=2 { CB:38.608 } atom: 1067 109K-QE E 3.025 ambi=2 { CE:41.855 } ::sumAvg: 3.6 atom: 1067 109K-QE E 3.025 ambi=2 { CE:41.855 } atom: 915 96F-HB2 B 3.514 ambi=2 { CB:38.608 } ::sumAvg: 3.6 atom: 915 96F-HB2 B 3.514 ambi=2 { CB:38.608 } atom: 1070 110V-H N 6.788 ambi=1 { N:121.057 } :: atom: 916 96F-HB3 B 2.93 ambi=2 { CB:38.608 } atom: 1070 110V-H N 6.788 ambi=1 { N:121.057 } ::sumAvg: 3.835 atom: 915 96F-HB2 B 3.514 ambi=2 { CB:38.608 } atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } ::sumAvg: 2.93 atom: 915 96F-HB2 B 3.514 ambi=2 { CB:38.608 } atom: 1100 113S-H N 7.578 ambi=1 { N:117.745 } :: atom: 916 96F-HB3 B 2.93 ambi=2 { CB:38.608 } atom: 1100 113S-H N 7.578 ambi=1 { N:117.745 } ::sumAvg: 4.745 atom: 1104 113S-HB2 B 4.151 ambi=2 { CB:63.309 } atom: 915 96F-HB2 B 3.514 ambi=2 { CB:38.608 } :: atom: 1105 113S-HB3 B 4.298 ambi=2 { CB:63.309 } atom: 915 96F-HB2 B 3.514 ambi=2 { CB:38.608 } :: atom: 1104 113S-HB2 B 4.151 ambi=2 { CB:63.309 } atom: 916 96F-HB3 B 2.93 ambi=2 { CB:38.608 } :: atom: 1105 113S-HB3 B 4.298 ambi=2 { CB:63.309 } atom: 916 96F-HB3 B 2.93 ambi=2 { CB:38.608 } ::sumAvg: 3.565 atom: 918 96F-QD D 7.273 ambi=3 { QCD:133.905 } atom: 932 97D-HB2 B 2.791 ambi=2 { CB:43.473 } :: atom: 918 96F-QD D 7.273 ambi=3 { QCD:133.905 } atom: 933 97D-HB3 B 2.605 ambi=2 { CB:43.473 } ::sumAvg: 4.495 atom: 918 96F-QD D 7.273 ambi=3 { QCD:133.905 } atom: 951 100D-H N 8.223 ambi=1 { N:121.301 } ::sumAvg: 4.365 atom: 918 96F-QD D 7.273 ambi=3 { QCD:133.905 } atom: 1058 109K-HB2 B 1.936 ambi=2 { CB:32.56 } :: atom: 918 96F-QD D 7.273 ambi=3 { QCD:133.905 } atom: 1059 109K-HB3 B 1.865 ambi=2 { CB:32.56 } ::sumAvg: 4.43 atom: 1058 109K-HB2 B 1.936 ambi=2 { CB:32.56 } atom: 918 96F-QD D 7.273 ambi=3 { QCD:133.905 } :: atom: 1059 109K-HB3 B 1.865 ambi=2 { CB:32.56 } atom: 918 96F-QD D 7.273 ambi=3 { QCD:133.905 } ::sumAvg: 4.43 atom: 918 96F-QD D 7.273 ambi=3 { QCD:133.905 } atom: 1070 110V-H N 6.788 ambi=1 { N:121.057 } ::sumAvg: 4.625 atom: 918 96F-QD D 7.273 ambi=3 { QCD:133.905 } atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } ::sumAvg: 4.865 atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } atom: 918 96F-QD D 7.273 ambi=3 { QCD:133.905 } ::sumAvg: 4.865 atom: 918 96F-QD D 7.273 ambi=3 { QCD:133.905 } atom: 1107 114L-H N 7.972 ambi=1 { N:121.403 } ::sumAvg: 4.85 atom: 920 96F-QE E 7.246 ambi=3 { CE1:130.774 CE2:130.942 } atom: 960 101L-HA A 4.492 ambi=1 { CA:56.477 } ::sumAvg: 4.925 atom: 920 96F-QE E 7.246 ambi=3 { CE1:130.774 CE2:130.942 } atom: 965 101L-HG G 1.619 ambi=1 { CG:27.501 } ::sumAvg: 4.565 atom: 965 101L-HG G 1.619 ambi=1 { CG:27.501 } atom: 920 96F-QE E 7.246 ambi=3 { CE1:130.774 CE2:130.942 } ::sumAvg: 4.565 atom: 920 96F-QE E 7.246 ambi=3 { CE1:130.774 CE2:130.942 } atom: 971 102Y-H N 8.477 ambi=1 { N:119.103 } ::sumAvg: 4.99 atom: 920 96F-QE E 7.246 ambi=3 { CE1:130.774 CE2:130.942 } atom: 1107 114L-H N 7.972 ambi=1 { N:121.403 } ::sumAvg: 4.785 atom: 1114 114L-HG G 1.978 ambi=1 { CG:26.722 } atom: 920 96F-QE E 7.246 ambi=3 { CE1:130.774 CE2:130.942 } ::sumAvg: 4.15 atom: 922 96F-HZ Z 7.08 ambi=1 { CZ:129 } atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } :: atom: 922 96F-HZ Z 7.08 ambi=1 { CZ:129 } atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } ::sumAvg: 4.265 atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } atom: 922 96F-HZ Z 7.08 ambi=1 { CZ:129 } :: atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } atom: 922 96F-HZ Z 7.08 ambi=1 { CZ:129 } ::sumAvg: 4.265 atom: 922 96F-HZ Z 7.08 ambi=1 { CZ:129 } atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } ::sumAvg: 4.635 atom: 1058 109K-HB2 B 1.936 ambi=2 { CB:32.56 } atom: 928 97D-H N 9.205 ambi=1 { N:119.925 } :: atom: 1059 109K-HB3 B 1.865 ambi=2 { CB:32.56 } atom: 928 97D-H N 9.205 ambi=1 { N:119.925 } ::sumAvg: 4.33 atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 928 97D-H N 9.205 ambi=1 { N:119.925 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 928 97D-H N 9.205 ambi=1 { N:119.925 } ::sumAvg: 4.51 atom: 937 98A-HA A 4.135 ambi=1 { CA:56.521 } atom: 930 97D-HA A 4.844 ambi=1 { CA:53.201 } ::sumAvg: 4.335 atom: 932 97D-HB2 B 2.791 ambi=2 { CB:43.473 } atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } :: atom: 933 97D-HB3 B 2.605 ambi=2 { CB:43.473 } atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } ::sumAvg: 4.705 atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } atom: 932 97D-HB2 B 2.791 ambi=2 { CB:43.473 } :: atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } atom: 933 97D-HB3 B 2.605 ambi=2 { CB:43.473 } ::sumAvg: 4.705 atom: 956 100D-HB3 B 3.116 ambi=2 { CB:39.632 } atom: 933 97D-HB3 B 2.605 ambi=2 { CB:43.473 } ::sumAvg: 3.29 atom: 932 97D-HB2 B 2.791 ambi=2 { CB:43.473 } atom: 958 101L-H N 6.969 ambi=1 { N:115.787 } :: atom: 933 97D-HB3 B 2.605 ambi=2 { CB:43.473 } atom: 958 101L-H N 6.969 ambi=1 { N:115.787 } ::sumAvg: 4.97 atom: 933 97D-HB3 B 2.605 ambi=2 { CB:43.473 } atom: 1067 109K-QE E 3.025 ambi=2 { CE:41.855 } ::sumAvg: 4.405 atom: 1067 109K-QE E 3.025 ambi=2 { CE:41.855 } atom: 933 97D-HB3 B 2.605 ambi=2 { CB:43.473 } ::sumAvg: 4.405 atom: 937 98A-HA A 4.135 ambi=1 { CA:56.521 } atom: 943 99N-HA A 4.557 ambi=1 { CA:56.072 } ::sumAvg: 4.775 atom: 937 98A-HA A 4.135 ambi=1 { CA:56.521 } atom: 951 100D-H N 8.223 ambi=1 { N:121.301 } ::sumAvg: 4.465 atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } atom: 937 98A-HA A 4.135 ambi=1 { CA:56.521 } :: atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } atom: 937 98A-HA A 4.135 ambi=1 { CA:56.521 } ::sumAvg: 3.41 atom: 937 98A-HA A 4.135 ambi=1 { CA:56.521 } atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } :: atom: 937 98A-HA A 4.135 ambi=1 { CA:56.521 } atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } ::sumAvg: 4.66 atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } atom: 937 98A-HA A 4.135 ambi=1 { CA:56.521 } :: atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } atom: 937 98A-HA A 4.135 ambi=1 { CA:56.521 } ::sumAvg: 4.66 atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } atom: 943 99N-HA A 4.557 ambi=1 { CA:56.072 } ::sumAvg: 3.83 atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } atom: 945 99N-HB2 B 2.841 ambi=2 { CB:38.262 } :: atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } atom: 946 99N-HB3 B 2.723 ambi=2 { CB:38.262 } ::sumAvg: 4.745 atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } atom: 951 100D-H N 8.223 ambi=1 { N:121.301 } ::sumAvg: 4.7 atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } ::sumAvg: 4.575 atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } ::sumAvg: 4.745 atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } :: atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } atom: 938 98A-HB B 1.423 ambi=1 { CB:18.966 } ::sumAvg: 3.895 atom: 945 99N-HB2 B 2.841 ambi=2 { CB:38.262 } atom: 986 103Q-H N 7.892 ambi=1 { N:110.722 } :: atom: 946 99N-HB3 B 2.723 ambi=2 { CB:38.262 } atom: 986 103Q-H N 7.892 ambi=1 { N:110.722 } ::sumAvg: 4.445 atom: 993 103Q-HG2 G 2.643 ambi=2 { CG:33.356 } atom: 948 99N-HD21 D2 7.825 ambi=2 { ND2:112.684 } :: atom: 994 103Q-HG3 G 2.517 ambi=2 { CG:33.356 } atom: 948 99N-HD21 D2 7.825 ambi=2 { ND2:112.684 } :: atom: 993 103Q-HG2 G 2.643 ambi=2 { CG:33.356 } atom: 949 99N-HD22 D2 6.761 ambi=2 { ND2:112.684 } :: atom: 994 103Q-HG3 G 2.517 ambi=2 { CG:33.356 } atom: 949 99N-HD22 D2 6.761 ambi=2 { ND2:112.684 } ::sumAvg: 4.73 atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } atom: 951 100D-H N 8.223 ambi=1 { N:121.301 } :: atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } atom: 951 100D-H N 8.223 ambi=1 { N:121.301 } ::sumAvg: 4.91 atom: 1012 105Q-QG G 2.2815 ambi=2 { CG:33.506 } atom: 951 100D-H N 8.223 ambi=1 { N:121.301 } ::sumAvg: 4.945 atom: 953 100D-HA A 4.351 ambi=1 { CA:57.815 } atom: 971 102Y-H N 8.477 ambi=1 { N:119.103 } ::sumAvg: 4.945 atom: 953 100D-HA A 4.351 ambi=1 { CA:57.815 } atom: 986 103Q-H N 7.892 ambi=1 { N:110.722 } ::sumAvg: 4.22 atom: 953 100D-HA A 4.351 ambi=1 { CA:57.815 } atom: 990 103Q-HB2 B 2.371 ambi=2 { CB:28.576 } :: atom: 953 100D-HA A 4.351 ambi=1 { CA:57.815 } atom: 991 103Q-HB3 B 1.981 ambi=2 { CB:28.576 } ::sumAvg: 3.88 atom: 953 100D-HA A 4.351 ambi=1 { CA:57.815 } atom: 999 104G-H N 7.474 ambi=1 { N:107.956 } ::sumAvg: 4.5 atom: 953 100D-HA A 4.351 ambi=1 { CA:57.815 } atom: 1014 105Q-HE21 E2 7.427 ambi=2 { NE2:111.762 } :: atom: 953 100D-HA A 4.351 ambi=1 { CA:57.815 } atom: 1015 105Q-HE22 E2 6.848 ambi=2 { NE2:111.762 } ::sumAvg: 4.205 atom: 955 100D-HB2 B 2.894 ambi=2 { CB:39.632 } atom: 960 101L-HA A 4.492 ambi=1 { CA:56.477 } :: atom: 956 100D-HB3 B 3.116 ambi=2 { CB:39.632 } atom: 960 101L-HA A 4.492 ambi=1 { CA:56.477 } ::sumAvg: 4.375 atom: 955 100D-HB2 B 2.894 ambi=2 { CB:39.632 } atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } :: atom: 955 100D-HB2 B 2.894 ambi=2 { CB:39.632 } atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } :: atom: 956 100D-HB3 B 3.116 ambi=2 { CB:39.632 } atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } :: atom: 956 100D-HB3 B 3.116 ambi=2 { CB:39.632 } atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } ::sumAvg: 4.725 atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } atom: 955 100D-HB2 B 2.894 ambi=2 { CB:39.632 } :: atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } atom: 955 100D-HB2 B 2.894 ambi=2 { CB:39.632 } :: atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } atom: 956 100D-HB3 B 3.116 ambi=2 { CB:39.632 } :: atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } atom: 956 100D-HB3 B 3.116 ambi=2 { CB:39.632 } ::sumAvg: 4.725 atom: 955 100D-HB2 B 2.894 ambi=2 { CB:39.632 } atom: 1004 105Q-H N 8.086 ambi=1 { N:117.34 } :: atom: 956 100D-HB3 B 3.116 ambi=2 { CB:39.632 } atom: 1004 105Q-H N 8.086 ambi=1 { N:117.34 } ::sumAvg: 4.25 atom: 955 100D-HB2 B 2.894 ambi=2 { CB:39.632 } atom: 1012 105Q-QG G 2.2815 ambi=2 { CG:33.506 } :: atom: 956 100D-HB3 B 3.116 ambi=2 { CB:39.632 } atom: 1012 105Q-QG G 2.2815 ambi=2 { CG:33.506 } ::sumAvg: 4.93 atom: 955 100D-HB2 B 2.894 ambi=2 { CB:39.632 } atom: 1019 106N-HA A 4.65 ambi=1 { CA:53.028 } :: atom: 956 100D-HB3 B 3.116 ambi=2 { CB:39.632 } atom: 1019 106N-HA A 4.65 ambi=1 { CA:53.028 } ::sumAvg: 4.495 atom: 955 100D-HB2 B 2.894 ambi=2 { CB:39.632 } atom: 1027 107F-H N 8.954 ambi=1 { N:121.79 } :: atom: 956 100D-HB3 B 3.116 ambi=2 { CB:39.632 } atom: 1027 107F-H N 8.954 ambi=1 { N:121.79 } ::sumAvg: 4.995 atom: 955 100D-HB2 B 2.894 ambi=2 { CB:39.632 } atom: 1029 107F-HA A 4.006 ambi=1 { CA:61.428 } :: atom: 956 100D-HB3 B 3.116 ambi=2 { CB:39.632 } atom: 1029 107F-HA A 4.006 ambi=1 { CA:61.428 } ::sumAvg: 4.595 atom: 955 100D-HB2 B 2.894 ambi=2 { CB:39.632 } atom: 1058 109K-HB2 B 1.936 ambi=2 { CB:32.56 } :: atom: 955 100D-HB2 B 2.894 ambi=2 { CB:39.632 } atom: 1059 109K-HB3 B 1.865 ambi=2 { CB:32.56 } :: atom: 956 100D-HB3 B 3.116 ambi=2 { CB:39.632 } atom: 1058 109K-HB2 B 1.936 ambi=2 { CB:32.56 } :: atom: 956 100D-HB3 B 3.116 ambi=2 { CB:39.632 } atom: 1059 109K-HB3 B 1.865 ambi=2 { CB:32.56 } ::sumAvg: 4.1 atom: 955 100D-HB2 B 2.894 ambi=2 { CB:39.632 } atom: 1061 109K-HG2 G 1.48 ambi=2 { CG:24.99 } :: atom: 955 100D-HB2 B 2.894 ambi=2 { CB:39.632 } atom: 1062 109K-HG3 G 1.549 ambi=2 { CG:24.99 } :: atom: 956 100D-HB3 B 3.116 ambi=2 { CB:39.632 } atom: 1061 109K-HG2 G 1.48 ambi=2 { CG:24.99 } :: atom: 956 100D-HB3 B 3.116 ambi=2 { CB:39.632 } atom: 1062 109K-HG3 G 1.549 ambi=2 { CG:24.99 } ::sumAvg: 4.8 atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } atom: 958 101L-H N 6.969 ambi=1 { N:115.787 } :: atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } atom: 958 101L-H N 6.969 ambi=1 { N:115.787 } ::sumAvg: 4.84 atom: 973 102Y-HA A 4.046 ambi=1 { CA:62.539 } atom: 960 101L-HA A 4.492 ambi=1 { CA:56.477 } ::sumAvg: 4.78 atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } atom: 960 101L-HA A 4.492 ambi=1 { CA:56.477 } :: atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } atom: 960 101L-HA A 4.492 ambi=1 { CA:56.477 } ::sumAvg: 3.59 atom: 1029 107F-HA A 4.006 ambi=1 { CA:61.428 } atom: 960 101L-HA A 4.492 ambi=1 { CA:56.477 } ::sumAvg: 3.985 atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } atom: 960 101L-HA A 4.492 ambi=1 { CA:56.477 } :: atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } atom: 960 101L-HA A 4.492 ambi=1 { CA:56.477 } ::sumAvg: 4.77 atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } atom: 960 101L-HA A 4.492 ambi=1 { CA:56.477 } ::sumAvg: 4.8 atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } atom: 973 102Y-HA A 4.046 ambi=1 { CA:62.539 } :: atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } atom: 973 102Y-HA A 4.046 ambi=1 { CA:62.539 } ::sumAvg: 4.25 atom: 973 102Y-HA A 4.046 ambi=1 { CA:62.539 } atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } :: atom: 973 102Y-HA A 4.046 ambi=1 { CA:62.539 } atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } ::sumAvg: 4.25 atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } :: atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } :: atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } :: atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } ::sumAvg: 4.115 atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } :: atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } :: atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } :: atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } ::sumAvg: 4.115 atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } atom: 1029 107F-HA A 4.006 ambi=1 { CA:61.428 } :: atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } atom: 1029 107F-HA A 4.006 ambi=1 { CA:61.428 } ::sumAvg: 4.975 atom: 1029 107F-HA A 4.006 ambi=1 { CA:61.428 } atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } :: atom: 1029 107F-HA A 4.006 ambi=1 { CA:61.428 } atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } ::sumAvg: 4.975 atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } atom: 1034 107F-QD D 7.189 ambi=3 { QCD:131.799 } :: atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } atom: 1034 107F-QD D 7.189 ambi=3 { QCD:131.799 } ::sumAvg: 4.805 atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } :: atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } ::sumAvg: 4.885 atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } :: atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } atom: 963 101L-HB3 B 1.439 ambi=2 { CB:42.208 } ::sumAvg: 4.885 atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } ::sumAvg: 4.38 atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } atom: 962 101L-HB2 B 2.1 ambi=2 { CB:42.208 } ::sumAvg: 4.38 atom: 965 101L-HG G 1.619 ambi=1 { CG:27.501 } atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } :: atom: 965 101L-HG G 1.619 ambi=1 { CG:27.501 } atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } ::sumAvg: 4.48 atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } atom: 965 101L-HG G 1.619 ambi=1 { CG:27.501 } :: atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } atom: 965 101L-HG G 1.619 ambi=1 { CG:27.501 } ::sumAvg: 4.48 atom: 978 102Y-QD D 7.224 ambi=3 { QCD:133.29 } atom: 965 101L-HG G 1.619 ambi=1 { CG:27.501 } ::sumAvg: 4.905 atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 965 101L-HG G 1.619 ambi=1 { CG:27.501 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 965 101L-HG G 1.619 ambi=1 { CG:27.501 } ::sumAvg: 4.165 atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } :: atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } :: atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } :: atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } ::sumAvg: 4.72 atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } :: atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } :: atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } :: atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } ::sumAvg: 4.72 atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } :: atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } :: atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } :: atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } ::sumAvg: 4.2 atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } :: atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } :: atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } :: atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } ::sumAvg: 4.2 atom: 1029 107F-HA A 4.006 ambi=1 { CA:61.428 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } :: atom: 1029 107F-HA A 4.006 ambi=1 { CA:61.428 } atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } ::sumAvg: 4.1 atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } :: atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } :: atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } :: atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } ::sumAvg: 4.54 atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } :: atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } :: atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } :: atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } ::sumAvg: 4.54 atom: 1038 107F-HZ Z 6.753 ambi=1 { CZ:127.464 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } :: atom: 1038 107F-HZ Z 6.753 ambi=1 { CZ:127.464 } atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } ::sumAvg: 4.8 atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } :: atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } ::sumAvg: 4.88 atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } :: atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } atom: 967 101L-HD2 D2 1.032 ambi=2 { CD2:27.124 } ::sumAvg: 4.88 atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } atom: 966 101L-HD1 D1 0.986 ambi=2 { CD1:22.749 } ::sumAvg: 3.44 atom: 993 103Q-HG2 G 2.643 ambi=2 { CG:33.356 } atom: 971 102Y-H N 8.477 ambi=1 { N:119.103 } :: atom: 994 103Q-HG3 G 2.517 ambi=2 { CG:33.356 } atom: 971 102Y-H N 8.477 ambi=1 { N:119.103 } ::sumAvg: 4.655 atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 971 102Y-H N 8.477 ambi=1 { N:119.103 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 971 102Y-H N 8.477 ambi=1 { N:119.103 } ::sumAvg: 4.925 atom: 980 102Y-QE E 6.869 ambi=3 { CE1:117.785 CE2:117.91 } atom: 973 102Y-HA A 4.046 ambi=1 { CA:62.539 } ::sumAvg: 4.49 atom: 973 102Y-HA A 4.046 ambi=1 { CA:62.539 } atom: 999 104G-H N 7.474 ambi=1 { N:107.956 } ::sumAvg: 4.12 atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } atom: 980 102Y-QE E 6.869 ambi=3 { CE1:117.785 CE2:117.91 } :: atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } atom: 980 102Y-QE E 6.869 ambi=3 { CE1:117.785 CE2:117.91 } ::sumAvg: 4.4 atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } atom: 988 103Q-HA A 4.274 ambi=1 { CA:54.96 } :: atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } atom: 988 103Q-HA A 4.274 ambi=1 { CA:54.96 } ::sumAvg: 4.425 atom: 988 103Q-HA A 4.274 ambi=1 { CA:54.96 } atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } :: atom: 988 103Q-HA A 4.274 ambi=1 { CA:54.96 } atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } ::sumAvg: 4.425 atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } atom: 990 103Q-HB2 B 2.371 ambi=2 { CB:28.576 } :: atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } atom: 991 103Q-HB3 B 1.981 ambi=2 { CB:28.576 } :: atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } atom: 990 103Q-HB2 B 2.371 ambi=2 { CB:28.576 } :: atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } atom: 991 103Q-HB3 B 1.981 ambi=2 { CB:28.576 } ::sumAvg: 4.595 atom: 990 103Q-HB2 B 2.371 ambi=2 { CB:28.576 } atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } :: atom: 991 103Q-HB3 B 1.981 ambi=2 { CB:28.576 } atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } :: atom: 990 103Q-HB2 B 2.371 ambi=2 { CB:28.576 } atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } :: atom: 991 103Q-HB3 B 1.981 ambi=2 { CB:28.576 } atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } ::sumAvg: 4.595 atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } atom: 994 103Q-HG3 G 2.517 ambi=2 { CG:33.356 } :: atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } atom: 994 103Q-HG3 G 2.517 ambi=2 { CG:33.356 } ::sumAvg: 3.01 atom: 994 103Q-HG3 G 2.517 ambi=2 { CG:33.356 } atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } :: atom: 994 103Q-HG3 G 2.517 ambi=2 { CG:33.356 } atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } ::sumAvg: 3.01 atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } atom: 996 103Q-HE21 E2 7.709 ambi=2 { NE2:111.471 } :: atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } atom: 997 103Q-HE22 E2 6.896 ambi=2 { NE2:111.471 } :: atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } atom: 996 103Q-HE21 E2 7.709 ambi=2 { NE2:111.471 } :: atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } atom: 997 103Q-HE22 E2 6.896 ambi=2 { NE2:111.471 } ::sumAvg: 3.575 atom: 975 102Y-HB2 B 3.04 ambi=2 { CB:39.446 } atom: 999 104G-H N 7.474 ambi=1 { N:107.956 } :: atom: 976 102Y-HB3 B 2.997 ambi=2 { CB:39.446 } atom: 999 104G-H N 7.474 ambi=1 { N:107.956 } ::sumAvg: 4.695 atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } atom: 986 103Q-H N 7.892 ambi=1 { N:110.722 } :: atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } atom: 986 103Q-H N 7.892 ambi=1 { N:110.722 } ::sumAvg: 4.625 atom: 1012 105Q-QG G 2.2815 ambi=2 { CG:33.506 } atom: 986 103Q-H N 7.892 ambi=1 { N:110.722 } ::sumAvg: 3.89 atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } atom: 988 103Q-HA A 4.274 ambi=1 { CA:54.96 } :: atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } atom: 988 103Q-HA A 4.274 ambi=1 { CA:54.96 } ::sumAvg: 4.52 atom: 988 103Q-HA A 4.274 ambi=1 { CA:54.96 } atom: 1012 105Q-QG G 2.2815 ambi=2 { CG:33.506 } ::sumAvg: 4.45 atom: 1012 105Q-QG G 2.2815 ambi=2 { CG:33.506 } atom: 988 103Q-HA A 4.274 ambi=1 { CA:54.96 } ::sumAvg: 4.45 atom: 990 103Q-HB2 B 2.371 ambi=2 { CB:28.576 } atom: 996 103Q-HE21 E2 7.709 ambi=2 { NE2:111.471 } :: atom: 990 103Q-HB2 B 2.371 ambi=2 { CB:28.576 } atom: 997 103Q-HE22 E2 6.896 ambi=2 { NE2:111.471 } :: atom: 991 103Q-HB3 B 1.981 ambi=2 { CB:28.576 } atom: 996 103Q-HE21 E2 7.709 ambi=2 { NE2:111.471 } :: atom: 991 103Q-HB3 B 1.981 ambi=2 { CB:28.576 } atom: 997 103Q-HE22 E2 6.896 ambi=2 { NE2:111.471 } ::sumAvg: 4.14 atom: 990 103Q-HB2 B 2.371 ambi=2 { CB:28.576 } atom: 1009 105Q-HB3 B 1.819 ambi=2 { CB:29.982 } ::sumAvg: 4.16 atom: 1009 105Q-HB3 B 1.819 ambi=2 { CB:29.982 } atom: 990 103Q-HB2 B 2.371 ambi=2 { CB:28.576 } ::sumAvg: 4.16 atom: 993 103Q-HG2 G 2.643 ambi=2 { CG:33.356 } atom: 1014 105Q-HE21 E2 7.427 ambi=2 { NE2:111.762 } :: atom: 993 103Q-HG2 G 2.643 ambi=2 { CG:33.356 } atom: 1015 105Q-HE22 E2 6.848 ambi=2 { NE2:111.762 } :: atom: 994 103Q-HG3 G 2.517 ambi=2 { CG:33.356 } atom: 1014 105Q-HE21 E2 7.427 ambi=2 { NE2:111.762 } :: atom: 994 103Q-HG3 G 2.517 ambi=2 { CG:33.356 } atom: 1015 105Q-HE22 E2 6.848 ambi=2 { NE2:111.762 } ::sumAvg: 4.82 atom: 1012 105Q-QG G 2.2815 ambi=2 { CG:33.506 } atom: 999 104G-H N 7.474 ambi=1 { N:107.956 } ::sumAvg: 3.905 atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } atom: 1006 105Q-HA A 4.379 ambi=1 { CA:55.524 } :: atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } atom: 1006 105Q-HA A 4.379 ambi=1 { CA:55.524 } ::sumAvg: 4.58 atom: 1006 105Q-HA A 4.379 ambi=1 { CA:55.524 } atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } :: atom: 1006 105Q-HA A 4.379 ambi=1 { CA:55.524 } atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } ::sumAvg: 4.58 atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } atom: 1012 105Q-QG G 2.2815 ambi=2 { CG:33.506 } :: atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } atom: 1012 105Q-QG G 2.2815 ambi=2 { CG:33.506 } ::sumAvg: 4.68 atom: 1012 105Q-QG G 2.2815 ambi=2 { CG:33.506 } atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } :: atom: 1012 105Q-QG G 2.2815 ambi=2 { CG:33.506 } atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } ::sumAvg: 4.68 atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } atom: 1017 106N-H N 8.634 ambi=1 { N:115.988 } :: atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } atom: 1017 106N-H N 8.634 ambi=1 { N:115.988 } ::sumAvg: 4.475 atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } atom: 1027 107F-H N 8.954 ambi=1 { N:121.79 } :: atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } atom: 1027 107F-H N 8.954 ambi=1 { N:121.79 } ::sumAvg: 4.95 atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } :: atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } :: atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } :: atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } ::sumAvg: 4.165 atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } :: atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } :: atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } :: atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } ::sumAvg: 4.165 atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } atom: 1034 107F-QD D 7.189 ambi=3 { QCD:131.799 } :: atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } atom: 1034 107F-QD D 7.189 ambi=3 { QCD:131.799 } ::sumAvg: 4.655 atom: 1034 107F-QD D 7.189 ambi=3 { QCD:131.799 } atom: 1001 104G-HA2 A 3.713 ambi=2 { CA:46.416 } :: atom: 1034 107F-QD D 7.189 ambi=3 { QCD:131.799 } atom: 1002 104G-HA3 A 3.856 ambi=2 { CA:46.416 } ::sumAvg: 4.655 atom: 1006 105Q-HA A 4.379 ambi=1 { CA:55.524 } atom: 1014 105Q-HE21 E2 7.427 ambi=2 { NE2:111.762 } :: atom: 1006 105Q-HA A 4.379 ambi=1 { CA:55.524 } atom: 1015 105Q-HE22 E2 6.848 ambi=2 { NE2:111.762 } ::sumAvg: 3.625 atom: 1008 105Q-HB2 B 2.077 ambi=2 { CB:29.982 } atom: 1019 106N-HA A 4.65 ambi=1 { CA:53.028 } :: atom: 1009 105Q-HB3 B 1.819 ambi=2 { CB:29.982 } atom: 1019 106N-HA A 4.65 ambi=1 { CA:53.028 } ::sumAvg: 4.59 atom: 1029 107F-HA A 4.006 ambi=1 { CA:61.428 } atom: 1017 106N-H N 8.634 ambi=1 { N:115.988 } ::sumAvg: 4.62 atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 1017 106N-H N 8.634 ambi=1 { N:115.988 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 1017 106N-H N 8.634 ambi=1 { N:115.988 } ::sumAvg: 4.695 atom: 1029 107F-HA A 4.006 ambi=1 { CA:61.428 } atom: 1019 106N-HA A 4.65 ambi=1 { CA:53.028 } ::sumAvg: 4.545 atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } atom: 1019 106N-HA A 4.65 ambi=1 { CA:53.028 } :: atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } atom: 1019 106N-HA A 4.65 ambi=1 { CA:53.028 } ::sumAvg: 4.745 atom: 1061 109K-HG2 G 1.48 ambi=2 { CG:24.99 } atom: 1019 106N-HA A 4.65 ambi=1 { CA:53.028 } :: atom: 1062 109K-HG3 G 1.549 ambi=2 { CG:24.99 } atom: 1019 106N-HA A 4.65 ambi=1 { CA:53.028 } ::sumAvg: 4.81 atom: 1021 106N-HB2 B 2.902 ambi=2 { CB:37.181 } atom: 1070 110V-H N 6.788 ambi=1 { N:121.057 } :: atom: 1022 106N-HB3 B 2.722 ambi=2 { CB:37.181 } atom: 1070 110V-H N 6.788 ambi=1 { N:121.057 } ::sumAvg: 4.97 atom: 1021 106N-HB2 B 2.902 ambi=2 { CB:37.181 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 1021 106N-HB2 B 2.902 ambi=2 { CB:37.181 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } :: atom: 1022 106N-HB3 B 2.722 ambi=2 { CB:37.181 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 1022 106N-HB3 B 2.722 ambi=2 { CB:37.181 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 4.725 atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 1027 107F-H N 8.954 ambi=1 { N:121.79 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 1027 107F-H N 8.954 ambi=1 { N:121.79 } ::sumAvg: 4.635 atom: 1029 107F-HA A 4.006 ambi=1 { CA:61.428 } atom: 1058 109K-HB2 B 1.936 ambi=2 { CB:32.56 } :: atom: 1029 107F-HA A 4.006 ambi=1 { CA:61.428 } atom: 1059 109K-HB3 B 1.865 ambi=2 { CB:32.56 } ::sumAvg: 4.63 atom: 1058 109K-HB2 B 1.936 ambi=2 { CB:32.56 } atom: 1029 107F-HA A 4.006 ambi=1 { CA:61.428 } :: atom: 1059 109K-HB3 B 1.865 ambi=2 { CB:32.56 } atom: 1029 107F-HA A 4.006 ambi=1 { CA:61.428 } ::sumAvg: 4.63 atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } atom: 1046 108N-HA A 4.141 ambi=1 { CA:56.448 } :: atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } atom: 1046 108N-HA A 4.141 ambi=1 { CA:56.448 } ::sumAvg: 4.335 atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } :: atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } ::sumAvg: 4.74 atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } :: atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } ::sumAvg: 4.74 atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 1031 107F-HB2 B 3.111 ambi=2 { CB:38.537 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } :: atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 1032 107F-HB3 B 2.844 ambi=2 { CB:38.537 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 4.335 atom: 1034 107F-QD D 7.189 ambi=3 { QCD:131.799 } atom: 1046 108N-HA A 4.141 ambi=1 { CA:56.448 } ::sumAvg: 3.795 atom: 1046 108N-HA A 4.141 ambi=1 { CA:56.448 } atom: 1034 107F-QD D 7.189 ambi=3 { QCD:131.799 } ::sumAvg: 3.795 atom: 1034 107F-QD D 7.189 ambi=3 { QCD:131.799 } atom: 1048 108N-HB2 B 2.794 ambi=2 { CB:36.992 } :: atom: 1034 107F-QD D 7.189 ambi=3 { QCD:131.799 } atom: 1049 108N-HB3 B 2.726 ambi=2 { CB:36.992 } ::sumAvg: 4.955 atom: 1048 108N-HB2 B 2.794 ambi=2 { CB:36.992 } atom: 1034 107F-QD D 7.189 ambi=3 { QCD:131.799 } :: atom: 1049 108N-HB3 B 2.726 ambi=2 { CB:36.992 } atom: 1034 107F-QD D 7.189 ambi=3 { QCD:131.799 } ::sumAvg: 4.955 atom: 1034 107F-QD D 7.189 ambi=3 { QCD:131.799 } atom: 1080 111L-H N 7.699 ambi=1 { N:118.614 } ::sumAvg: 4.075 atom: 1036 107F-QE E 6.986 ambi=3 { QCE:129.914 } atom: 1080 111L-H N 7.699 ambi=1 { N:118.614 } ::sumAvg: 4.345 atom: 1082 111L-HA A 3.607 ambi=1 { CA:57.616 } atom: 1036 107F-QE E 6.986 ambi=3 { QCE:129.914 } ::sumAvg: 4.24 atom: 1115 114L-HD1 D1 0.724 ambi=2 { CD1:26.03 } atom: 1036 107F-QE E 6.986 ambi=3 { QCE:129.914 } :: atom: 1116 114L-HD2 D2 0.852 ambi=2 { CD2:22.177 } atom: 1036 107F-QE E 6.986 ambi=3 { QCE:129.914 } ::sumAvg: 3.775 atom: 1038 107F-HZ Z 6.753 ambi=1 { CZ:127.464 } atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } ::sumAvg: 4.86 atom: 1038 107F-HZ Z 6.753 ambi=1 { CZ:127.464 } atom: 1082 111L-HA A 3.607 ambi=1 { CA:57.616 } ::sumAvg: 4.4 atom: 1061 109K-HG2 G 1.48 ambi=2 { CG:24.99 } atom: 1044 108N-H N 8.838 ambi=1 { N:116.351 } :: atom: 1062 109K-HG3 G 1.549 ambi=2 { CG:24.99 } atom: 1044 108N-H N 8.838 ambi=1 { N:116.351 } ::sumAvg: 4.665 atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 1044 108N-H N 8.838 ambi=1 { N:116.351 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 1044 108N-H N 8.838 ambi=1 { N:116.351 } ::sumAvg: 4.835 atom: 1048 108N-HB2 B 2.794 ambi=2 { CB:36.992 } atom: 1056 109K-HA A 4.052 ambi=1 { CA:58.546 } :: atom: 1049 108N-HB3 B 2.726 ambi=2 { CB:36.992 } atom: 1056 109K-HA A 4.052 ambi=1 { CA:58.546 } ::sumAvg: 4.49 atom: 1056 109K-HA A 4.052 ambi=1 { CA:58.546 } atom: 1048 108N-HB2 B 2.794 ambi=2 { CB:36.992 } :: atom: 1056 109K-HA A 4.052 ambi=1 { CA:58.546 } atom: 1049 108N-HB3 B 2.726 ambi=2 { CB:36.992 } ::sumAvg: 4.49 atom: 1048 108N-HB2 B 2.794 ambi=2 { CB:36.992 } atom: 1084 111L-HB2 B 1.39 ambi=2 { CB:40.932 } :: atom: 1048 108N-HB2 B 2.794 ambi=2 { CB:36.992 } atom: 1085 111L-HB3 B 1.214 ambi=2 { CB:40.932 } :: atom: 1049 108N-HB3 B 2.726 ambi=2 { CB:36.992 } atom: 1084 111L-HB2 B 1.39 ambi=2 { CB:40.932 } :: atom: 1049 108N-HB3 B 2.726 ambi=2 { CB:36.992 } atom: 1085 111L-HB3 B 1.214 ambi=2 { CB:40.932 } ::sumAvg: 4.86 atom: 1084 111L-HB2 B 1.39 ambi=2 { CB:40.932 } atom: 1048 108N-HB2 B 2.794 ambi=2 { CB:36.992 } :: atom: 1085 111L-HB3 B 1.214 ambi=2 { CB:40.932 } atom: 1048 108N-HB2 B 2.794 ambi=2 { CB:36.992 } :: atom: 1084 111L-HB2 B 1.39 ambi=2 { CB:40.932 } atom: 1049 108N-HB3 B 2.726 ambi=2 { CB:36.992 } :: atom: 1085 111L-HB3 B 1.214 ambi=2 { CB:40.932 } atom: 1049 108N-HB3 B 2.726 ambi=2 { CB:36.992 } ::sumAvg: 4.86 atom: 1048 108N-HB2 B 2.794 ambi=2 { CB:36.992 } atom: 1093 112S-H N 8.033 ambi=1 { N:112.263 } :: atom: 1049 108N-HB3 B 2.726 ambi=2 { CB:36.992 } atom: 1093 112S-H N 8.033 ambi=1 { N:112.263 } ::sumAvg: 4.91 atom: 1048 108N-HB2 B 2.794 ambi=2 { CB:36.992 } atom: 1098 112S-QB B 3.892 ambi=2 { CB:62.397 } :: atom: 1049 108N-HB3 B 2.726 ambi=2 { CB:36.992 } atom: 1098 112S-QB B 3.892 ambi=2 { CB:62.397 } ::sumAvg: 4.76 atom: 1098 112S-QB B 3.892 ambi=2 { CB:62.397 } atom: 1048 108N-HB2 B 2.794 ambi=2 { CB:36.992 } :: atom: 1098 112S-QB B 3.892 ambi=2 { CB:62.397 } atom: 1049 108N-HB3 B 2.726 ambi=2 { CB:36.992 } ::sumAvg: 4.76 atom: 1056 109K-HA A 4.052 ambi=1 { CA:58.546 } atom: 1051 108N-HD21 D2 7.652 ambi=2 { ND2:113.148 } :: atom: 1056 109K-HA A 4.052 ambi=1 { CA:58.546 } atom: 1052 108N-HD22 D2 6.972 ambi=2 { ND2:113.148 } ::sumAvg: 4.89 atom: 1056 109K-HA A 4.052 ambi=1 { CA:58.546 } atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } ::sumAvg: 4.815 atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } atom: 1056 109K-HA A 4.052 ambi=1 { CA:58.546 } ::sumAvg: 4.815 atom: 1056 109K-HA A 4.052 ambi=1 { CA:58.546 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 1056 109K-HA A 4.052 ambi=1 { CA:58.546 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 4.89 atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 1056 109K-HA A 4.052 ambi=1 { CA:58.546 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 1056 109K-HA A 4.052 ambi=1 { CA:58.546 } ::sumAvg: 4.89 atom: 1058 109K-HB2 B 1.936 ambi=2 { CB:32.56 } atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } :: atom: 1059 109K-HB3 B 1.865 ambi=2 { CB:32.56 } atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } ::sumAvg: 4.295 atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } atom: 1058 109K-HB2 B 1.936 ambi=2 { CB:32.56 } :: atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } atom: 1059 109K-HB3 B 1.865 ambi=2 { CB:32.56 } ::sumAvg: 4.295 atom: 1058 109K-HB2 B 1.936 ambi=2 { CB:32.56 } atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } :: atom: 1059 109K-HB3 B 1.865 ambi=2 { CB:32.56 } atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } ::sumAvg: 4.995 atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } atom: 1058 109K-HB2 B 1.936 ambi=2 { CB:32.56 } :: atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } atom: 1059 109K-HB3 B 1.865 ambi=2 { CB:32.56 } ::sumAvg: 4.995 atom: 1058 109K-HB2 B 1.936 ambi=2 { CB:32.56 } atom: 1104 113S-HB2 B 4.151 ambi=2 { CB:63.309 } :: atom: 1058 109K-HB2 B 1.936 ambi=2 { CB:32.56 } atom: 1105 113S-HB3 B 4.298 ambi=2 { CB:63.309 } :: atom: 1059 109K-HB3 B 1.865 ambi=2 { CB:32.56 } atom: 1104 113S-HB2 B 4.151 ambi=2 { CB:63.309 } :: atom: 1059 109K-HB3 B 1.865 ambi=2 { CB:32.56 } atom: 1105 113S-HB3 B 4.298 ambi=2 { CB:63.309 } ::sumAvg: 4.99 atom: 1061 109K-HG2 G 1.48 ambi=2 { CG:24.99 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 1061 109K-HG2 G 1.48 ambi=2 { CG:24.99 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } :: atom: 1062 109K-HG3 G 1.549 ambi=2 { CG:24.99 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 1062 109K-HG3 G 1.549 ambi=2 { CG:24.99 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 4.96 atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 1061 109K-HG2 G 1.48 ambi=2 { CG:24.99 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 1061 109K-HG2 G 1.48 ambi=2 { CG:24.99 } :: atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 1062 109K-HG3 G 1.549 ambi=2 { CG:24.99 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 1062 109K-HG3 G 1.549 ambi=2 { CG:24.99 } ::sumAvg: 4.96 atom: 1064 109K-QD D 1.7645 ambi=2 { CD:28.931 } atom: 1070 110V-H N 6.788 ambi=1 { N:121.057 } ::sumAvg: 4.785 atom: 1064 109K-QD D 1.7645 ambi=2 { CD:28.931 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 1064 109K-QD D 1.7645 ambi=2 { CD:28.931 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 4.85 atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 1064 109K-QD D 1.7645 ambi=2 { CD:28.931 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 1064 109K-QD D 1.7645 ambi=2 { CD:28.931 } ::sumAvg: 4.85 atom: 1067 109K-QE E 3.025 ambi=2 { CE:41.855 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 1067 109K-QE E 3.025 ambi=2 { CE:41.855 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 4.89 atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } atom: 1067 109K-QE E 3.025 ambi=2 { CE:41.855 } :: atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } atom: 1067 109K-QE E 3.025 ambi=2 { CE:41.855 } ::sumAvg: 4.89 atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } atom: 1082 111L-HA A 3.607 ambi=1 { CA:57.616 } ::sumAvg: 4.825 atom: 1082 111L-HA A 3.607 ambi=1 { CA:57.616 } atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } ::sumAvg: 4.825 atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } atom: 1114 114L-HG G 1.978 ambi=1 { CG:26.722 } ::sumAvg: 4.055 atom: 1114 114L-HG G 1.978 ambi=1 { CG:26.722 } atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } ::sumAvg: 4.055 atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } atom: 1115 114L-HD1 D1 0.724 ambi=2 { CD1:26.03 } :: atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } atom: 1116 114L-HD2 D2 0.852 ambi=2 { CD2:22.177 } ::sumAvg: 4.685 atom: 1115 114L-HD1 D1 0.724 ambi=2 { CD1:26.03 } atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } :: atom: 1116 114L-HD2 D2 0.852 ambi=2 { CD2:22.177 } atom: 1072 110V-HA A 2.982 ambi=1 { CA:64.256 } ::sumAvg: 4.685 atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } atom: 1082 111L-HA A 3.607 ambi=1 { CA:57.616 } ::sumAvg: 4.12 atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } atom: 1114 114L-HG G 1.978 ambi=1 { CG:26.722 } ::sumAvg: 4.805 atom: 1114 114L-HG G 1.978 ambi=1 { CG:26.722 } atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } ::sumAvg: 4.805 atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } atom: 1115 114L-HD1 D1 0.724 ambi=2 { CD1:26.03 } :: atom: 1074 110V-HB B 1.394 ambi=1 { CB:29.934 } atom: 1116 114L-HD2 D2 0.852 ambi=2 { CD2:22.177 } ::sumAvg: 4.175 atom: 1084 111L-HB2 B 1.39 ambi=2 { CB:40.932 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 1085 111L-HB3 B 1.214 ambi=2 { CB:40.932 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 1084 111L-HB2 B 1.39 ambi=2 { CB:40.932 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } :: atom: 1085 111L-HB3 B 1.214 ambi=2 { CB:40.932 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 4.47 atom: 1111 114L-HB2 B 2.082 ambi=2 { CB:41.466 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } atom: 1075 110V-HG1 G1 0.136 ambi=2 { CG1:19.303 } :: atom: 1111 114L-HB2 B 2.082 ambi=2 { CB:41.466 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } :: atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } atom: 1076 110V-HG2 G2 0.012 ambi=2 { CG2:19.303 } ::sumAvg: 4.43 atom: 1098 112S-QB B 3.892 ambi=2 { CB:62.397 } atom: 1080 111L-H N 7.699 ambi=1 { N:118.614 } ::sumAvg: 4.78 atom: 1114 114L-HG G 1.978 ambi=1 { CG:26.722 } atom: 1080 111L-H N 7.699 ambi=1 { N:118.614 } ::sumAvg: 4.705 atom: 1115 114L-HD1 D1 0.724 ambi=2 { CD1:26.03 } atom: 1080 111L-H N 7.699 ambi=1 { N:118.614 } :: atom: 1116 114L-HD2 D2 0.852 ambi=2 { CD2:22.177 } atom: 1080 111L-H N 7.699 ambi=1 { N:118.614 } ::sumAvg: 4.335 atom: 1082 111L-HA A 3.607 ambi=1 { CA:57.616 } atom: 1095 112S-HA A 4.058 ambi=1 { CA:61.578 } ::sumAvg: 4.83 atom: 1095 112S-HA A 4.058 ambi=1 { CA:61.578 } atom: 1082 111L-HA A 3.607 ambi=1 { CA:57.616 } ::sumAvg: 4.83 atom: 1084 111L-HB2 B 1.39 ambi=2 { CB:40.932 } atom: 1095 112S-HA A 4.058 ambi=1 { CA:61.578 } :: atom: 1085 111L-HB3 B 1.214 ambi=2 { CB:40.932 } atom: 1095 112S-HA A 4.058 ambi=1 { CA:61.578 } ::sumAvg: 4.255 atom: 1095 112S-HA A 4.058 ambi=1 { CA:61.578 } atom: 1084 111L-HB2 B 1.39 ambi=2 { CB:40.932 } :: atom: 1095 112S-HA A 4.058 ambi=1 { CA:61.578 } atom: 1085 111L-HB3 B 1.214 ambi=2 { CB:40.932 } ::sumAvg: 4.255 atom: 1098 112S-QB B 3.892 ambi=2 { CB:62.397 } atom: 1084 111L-HB2 B 1.39 ambi=2 { CB:40.932 } :: atom: 1098 112S-QB B 3.892 ambi=2 { CB:62.397 } atom: 1085 111L-HB3 B 1.214 ambi=2 { CB:40.932 } ::sumAvg: 4.325 atom: 1084 111L-HB2 B 1.39 ambi=2 { CB:40.932 } atom: 1100 113S-H N 7.578 ambi=1 { N:117.745 } :: atom: 1085 111L-HB3 B 1.214 ambi=2 { CB:40.932 } atom: 1100 113S-H N 7.578 ambi=1 { N:117.745 } ::sumAvg: 4.975 atom: 1125 115V-HG1 G1 0.83 ambi=2 { CG1:20.905 } atom: 1084 111L-HB2 B 1.39 ambi=2 { CB:40.932 } :: atom: 1126 115V-HG2 G2 0.924 ambi=2 { CG2:22.105 } atom: 1084 111L-HB2 B 1.39 ambi=2 { CB:40.932 } ::sumAvg: 4.38 atom: 1095 112S-HA A 4.058 ambi=1 { CA:61.578 } atom: 1087 111L-HG G 0.751 ambi=1 { CG:24.581 } ::sumAvg: 3.935 atom: 1087 111L-HG G 0.751 ambi=1 { CG:24.581 } atom: 1120 115V-H N 8.367 ambi=1 { N:121.973 } ::sumAvg: 4.36 atom: 1087 111L-HG G 0.751 ambi=1 { CG:24.581 } atom: 1124 115V-HB B 2.136 ambi=1 { CB:31.333 } ::sumAvg: 4.815 atom: 1124 115V-HB B 2.136 ambi=1 { CB:31.333 } atom: 1087 111L-HG G 0.751 ambi=1 { CG:24.581 } ::sumAvg: 4.815 atom: 1088 111L-HD1 D1 0.797 ambi=2 { CD1:24.389 } atom: 1120 115V-H N 8.367 ambi=1 { N:121.973 } :: atom: 1089 111L-HD2 D2 0.733 ambi=2 { CD2:24.772 } atom: 1120 115V-H N 8.367 ambi=1 { N:121.973 } ::sumAvg: 3.955 atom: 1104 113S-HB2 B 4.151 ambi=2 { CB:63.309 } atom: 1093 112S-H N 8.033 ambi=1 { N:112.263 } :: atom: 1105 113S-HB3 B 4.298 ambi=2 { CB:63.309 } atom: 1093 112S-H N 8.033 ambi=1 { N:112.263 } ::sumAvg: 4.95 atom: 1098 112S-QB B 3.892 ambi=2 { CB:62.397 } atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } ::sumAvg: 4.175 atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } atom: 1098 112S-QB B 3.892 ambi=2 { CB:62.397 } ::sumAvg: 4.175 atom: 1098 112S-QB B 3.892 ambi=2 { CB:62.397 } atom: 1105 113S-HB3 B 4.298 ambi=2 { CB:63.309 } ::sumAvg: 4.665 atom: 1105 113S-HB3 B 4.298 ambi=2 { CB:63.309 } atom: 1098 112S-QB B 3.892 ambi=2 { CB:62.397 } ::sumAvg: 4.665 atom: 1111 114L-HB2 B 2.082 ambi=2 { CB:41.466 } atom: 1100 113S-H N 7.578 ambi=1 { N:117.745 } :: atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } atom: 1100 113S-H N 7.578 ambi=1 { N:117.745 } ::sumAvg: 4.86 atom: 1114 114L-HG G 1.978 ambi=1 { CG:26.722 } atom: 1100 113S-H N 7.578 ambi=1 { N:117.745 } ::sumAvg: 4.41 atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } atom: 1120 115V-H N 8.367 ambi=1 { N:121.973 } ::sumAvg: 4.62 atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } ::sumAvg: 4.065 atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } ::sumAvg: 4.065 atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } atom: 1138 117L-H N 8.661 ambi=1 { N:122.462 } ::sumAvg: 3.995 atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } atom: 1142 117L-HB2 B 1.774 ambi=2 { CB:41.553 } :: atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } atom: 1143 117L-HB3 B 2.232 ambi=2 { CB:41.553 } ::sumAvg: 4.985 atom: 1142 117L-HB2 B 1.774 ambi=2 { CB:41.553 } atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } :: atom: 1143 117L-HB3 B 2.232 ambi=2 { CB:41.553 } atom: 1102 113S-HA A 4.44 ambi=1 { CA:62.452 } ::sumAvg: 4.985 atom: 1104 113S-HB2 B 4.151 ambi=2 { CB:63.309 } atom: 1111 114L-HB2 B 2.082 ambi=2 { CB:41.466 } :: atom: 1104 113S-HB2 B 4.151 ambi=2 { CB:63.309 } atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } :: atom: 1105 113S-HB3 B 4.298 ambi=2 { CB:63.309 } atom: 1111 114L-HB2 B 2.082 ambi=2 { CB:41.466 } :: atom: 1105 113S-HB3 B 4.298 ambi=2 { CB:63.309 } atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } ::sumAvg: 4.95 atom: 1124 115V-HB B 2.136 ambi=1 { CB:31.333 } atom: 1107 114L-H N 7.972 ambi=1 { N:121.403 } ::sumAvg: 4.94 atom: 1125 115V-HG1 G1 0.83 ambi=2 { CG1:20.905 } atom: 1107 114L-H N 7.972 ambi=1 { N:121.403 } :: atom: 1126 115V-HG2 G2 0.924 ambi=2 { CG2:22.105 } atom: 1107 114L-H N 7.972 ambi=1 { N:121.403 } ::sumAvg: 4.225 atom: 1109 114L-HA A 4.294 ambi=1 { CA:57.632 } atom: 1122 115V-HA A 3.617 ambi=1 { CA:65.986 } ::sumAvg: 4.83 atom: 1122 115V-HA A 3.617 ambi=1 { CA:65.986 } atom: 1109 114L-HA A 4.294 ambi=1 { CA:57.632 } ::sumAvg: 4.83 atom: 1122 115V-HA A 3.617 ambi=1 { CA:65.986 } atom: 1111 114L-HB2 B 2.082 ambi=2 { CB:41.466 } :: atom: 1122 115V-HA A 3.617 ambi=1 { CA:65.986 } atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } ::sumAvg: 4.32 atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } atom: 1124 115V-HB B 2.136 ambi=1 { CB:31.333 } ::sumAvg: 4.935 atom: 1124 115V-HB B 2.136 ambi=1 { CB:31.333 } atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } ::sumAvg: 4.935 atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } atom: 1143 117L-HB3 B 2.232 ambi=2 { CB:41.553 } ::sumAvg: 4.31 atom: 1143 117L-HB3 B 2.232 ambi=2 { CB:41.553 } atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } ::sumAvg: 4.31 atom: 1111 114L-HB2 B 2.082 ambi=2 { CB:41.466 } atom: 1146 117L-HD1 D1 0.909 ambi=2 { CD1:23.923 } :: atom: 1111 114L-HB2 B 2.082 ambi=2 { CB:41.466 } atom: 1147 117L-HD2 D2 1.133 ambi=2 { CD2:26.076 } :: atom: 1112 114L-HB3 B 1.5 ambi=2 { CB:41.466 } atom: 1146 117L-HD1 D1 0.909 ambi=2 { CD1:23.923 } ::sumAvg: 4.405 atom: 1122 115V-HA A 3.617 ambi=1 { CA:65.986 } atom: 1138 117L-H N 8.661 ambi=1 { N:122.462 } ::sumAvg: 4.425 atom: 1122 115V-HA A 3.617 ambi=1 { CA:65.986 } atom: 1171 119K-QD D 1.5965 ambi=2 { CD:28.931 } ::sumAvg: 4.795 atom: 1171 119K-QD D 1.5965 ambi=2 { CD:28.931 } atom: 1122 115V-HA A 3.617 ambi=1 { CA:65.986 } ::sumAvg: 4.795 atom: 1132 116T-HA A 3.83 ambi=1 { CA:66.8 } atom: 1124 115V-HB B 2.136 ambi=1 { CB:31.333 } ::sumAvg: 4.375 atom: 1124 115V-HB B 2.136 ambi=1 { CB:31.333 } atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } ::sumAvg: 4.98 atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } atom: 1124 115V-HB B 2.136 ambi=1 { CB:31.333 } ::sumAvg: 4.98 atom: 1124 115V-HB B 2.136 ambi=1 { CB:31.333 } atom: 1168 119K-HG2 G 1.46 ambi=2 { CG:24.548 } :: atom: 1124 115V-HB B 2.136 ambi=1 { CB:31.333 } atom: 1169 119K-HG3 G 1.322 ambi=2 { CG:24.548 } ::sumAvg: 4.97 atom: 1168 119K-HG2 G 1.46 ambi=2 { CG:24.548 } atom: 1124 115V-HB B 2.136 ambi=1 { CB:31.333 } :: atom: 1169 119K-HG3 G 1.322 ambi=2 { CG:24.548 } atom: 1124 115V-HB B 2.136 ambi=1 { CB:31.333 } ::sumAvg: 4.97 atom: 1171 119K-QD D 1.5965 ambi=2 { CD:28.931 } atom: 1124 115V-HB B 2.136 ambi=1 { CB:31.333 } ::sumAvg: 4.255 atom: 1125 115V-HG1 G1 0.83 ambi=2 { CG1:20.905 } atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } ::sumAvg: 4.965 atom: 1125 115V-HG1 G1 0.83 ambi=2 { CG1:20.905 } atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } :: atom: 1126 115V-HG2 G2 0.924 ambi=2 { CG2:22.105 } atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } ::sumAvg: 4.61 atom: 1125 115V-HG1 G1 0.83 ambi=2 { CG1:20.905 } atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } :: atom: 1126 115V-HG2 G2 0.924 ambi=2 { CG2:22.105 } atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } ::sumAvg: 3.665 atom: 1142 117L-HB2 B 1.774 ambi=2 { CB:41.553 } atom: 1130 116T-H N 8.018 ambi=1 { N:118.37 } :: atom: 1143 117L-HB3 B 2.232 ambi=2 { CB:41.553 } atom: 1130 116T-H N 8.018 ambi=1 { N:118.37 } ::sumAvg: 4.835 atom: 1165 119K-HB2 B 1.884 ambi=2 { CB:32.092 } atom: 1130 116T-H N 8.018 ambi=1 { N:118.37 } :: atom: 1166 119K-HB3 B 1.942 ambi=2 { CB:32.092 } atom: 1130 116T-H N 8.018 ambi=1 { N:118.37 } ::sumAvg: 4.95 atom: 1168 119K-HG2 G 1.46 ambi=2 { CG:24.548 } atom: 1130 116T-H N 8.018 ambi=1 { N:118.37 } :: atom: 1169 119K-HG3 G 1.322 ambi=2 { CG:24.548 } atom: 1130 116T-H N 8.018 ambi=1 { N:118.37 } ::sumAvg: 4.9 atom: 1171 119K-QD D 1.5965 ambi=2 { CD:28.931 } atom: 1130 116T-H N 8.018 ambi=1 { N:118.37 } ::sumAvg: 4.125 atom: 1132 116T-HA A 3.83 ambi=1 { CA:66.8 } atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } ::sumAvg: 4.345 atom: 1132 116T-HA A 3.83 ambi=1 { CA:66.8 } atom: 1175 119K-QE E 2.8625 ambi=2 { CE:41.91 } ::sumAvg: 3.65 atom: 1132 116T-HA A 3.83 ambi=1 { CA:66.8 } atom: 1182 120V-HG1 G1 1.031 ambi=2 { CG1:21.063 } :: atom: 1132 116T-HA A 3.83 ambi=1 { CA:66.8 } atom: 1183 120V-HG2 G2 1.121 ambi=2 { CG2:21.166 } ::sumAvg: 3.77 atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } atom: 1142 117L-HB2 B 1.774 ambi=2 { CB:41.553 } :: atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } atom: 1143 117L-HB3 B 2.232 ambi=2 { CB:41.553 } ::sumAvg: 4.375 atom: 1142 117L-HB2 B 1.774 ambi=2 { CB:41.553 } atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } :: atom: 1143 117L-HB3 B 2.232 ambi=2 { CB:41.553 } atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } ::sumAvg: 4.375 atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } atom: 1171 119K-QD D 1.5965 ambi=2 { CD:28.931 } ::sumAvg: 4.87 atom: 1171 119K-QD D 1.5965 ambi=2 { CD:28.931 } atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } ::sumAvg: 4.87 atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } atom: 1182 120V-HG1 G1 1.031 ambi=2 { CG1:21.063 } :: atom: 1134 116T-HB B 4.371 ambi=1 { CB:67.811 } atom: 1183 120V-HG2 G2 1.121 ambi=2 { CG2:21.166 } ::sumAvg: 4.495 atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } atom: 1142 117L-HB2 B 1.774 ambi=2 { CB:41.553 } :: atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } atom: 1143 117L-HB3 B 2.232 ambi=2 { CB:41.553 } ::sumAvg: 4.57 atom: 1142 117L-HB2 B 1.774 ambi=2 { CB:41.553 } atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } :: atom: 1143 117L-HB3 B 2.232 ambi=2 { CB:41.553 } atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } ::sumAvg: 4.57 atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } ::sumAvg: 4.985 atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } atom: 1179 120V-HA A 4.082 ambi=1 { CA:64.531 } ::sumAvg: 4.855 atom: 1181 120V-HB B 2.297 ambi=1 { CB:31.747 } atom: 1135 116T-HG2 G2 1.27 ambi=1 { CG2:22.694 } ::sumAvg: 4.675 atom: 1155 118N-HB2 B 0.822 ambi=2 { CB:37.236 } atom: 1138 117L-H N 8.661 ambi=1 { N:122.462 } :: atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } atom: 1138 117L-H N 8.661 ambi=1 { N:122.462 } ::sumAvg: 4.91 atom: 1140 117L-HA A 3.987 ambi=1 { CA:57.978 } atom: 1153 118N-HA A 3.549 ambi=1 { CA:56.036 } ::sumAvg: 4.795 atom: 1153 118N-HA A 3.549 ambi=1 { CA:56.036 } atom: 1140 117L-HA A 3.987 ambi=1 { CA:57.978 } ::sumAvg: 4.795 atom: 1140 117L-HA A 3.987 ambi=1 { CA:57.978 } atom: 1161 119K-H N 7.596 ambi=1 { N:118.814 } ::sumAvg: 4.525 atom: 1140 117L-HA A 3.987 ambi=1 { CA:57.978 } atom: 1187 121T-H N 7.689 ambi=1 { N:109.088 } ::sumAvg: 4.23 atom: 1142 117L-HB2 B 1.774 ambi=2 { CB:41.553 } atom: 1153 118N-HA A 3.549 ambi=1 { CA:56.036 } :: atom: 1143 117L-HB3 B 2.232 ambi=2 { CB:41.553 } atom: 1153 118N-HA A 3.549 ambi=1 { CA:56.036 } ::sumAvg: 4.41 atom: 1155 118N-HB2 B 0.822 ambi=2 { CB:37.236 } atom: 1142 117L-HB2 B 1.774 ambi=2 { CB:41.553 } :: atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } atom: 1142 117L-HB2 B 1.774 ambi=2 { CB:41.553 } :: atom: 1155 118N-HB2 B 0.822 ambi=2 { CB:37.236 } atom: 1143 117L-HB3 B 2.232 ambi=2 { CB:41.553 } ::sumAvg: 4.34 atom: 1145 117L-HG G 1.763 ambi=1 { CG:27.103 } atom: 1153 118N-HA A 3.549 ambi=1 { CA:56.036 } ::sumAvg: 3.905 atom: 1155 118N-HB2 B 0.822 ambi=2 { CB:37.236 } atom: 1145 117L-HG G 1.763 ambi=1 { CG:27.103 } :: atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } atom: 1145 117L-HG G 1.763 ambi=1 { CG:27.103 } ::sumAvg: 4.975 atom: 1165 119K-HB2 B 1.884 ambi=2 { CB:32.092 } atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } :: atom: 1166 119K-HB3 B 1.942 ambi=2 { CB:32.092 } atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } ::sumAvg: 4.78 atom: 1168 119K-HG2 G 1.46 ambi=2 { CG:24.548 } atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } :: atom: 1169 119K-HG3 G 1.322 ambi=2 { CG:24.548 } atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } ::sumAvg: 4.615 atom: 1182 120V-HG1 G1 1.031 ambi=2 { CG1:21.063 } atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } :: atom: 1183 120V-HG2 G2 1.121 ambi=2 { CG2:21.166 } atom: 1151 118N-H N 7.736 ambi=1 { N:118.753 } ::sumAvg: 4.22 atom: 1182 120V-HG1 G1 1.031 ambi=2 { CG1:21.063 } atom: 1153 118N-HA A 3.549 ambi=1 { CA:56.036 } :: atom: 1183 120V-HG2 G2 1.121 ambi=2 { CG2:21.166 } atom: 1153 118N-HA A 3.549 ambi=1 { CA:56.036 } ::sumAvg: 4.455 atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } atom: 1153 118N-HA A 3.549 ambi=1 { CA:56.036 } ::sumAvg: 4.235 atom: 1153 118N-HA A 3.549 ambi=1 { CA:56.036 } atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } :: atom: 1153 118N-HA A 3.549 ambi=1 { CA:56.036 } atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } ::sumAvg: 4.645 atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } atom: 1153 118N-HA A 3.549 ambi=1 { CA:56.036 } :: atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } atom: 1153 118N-HA A 3.549 ambi=1 { CA:56.036 } ::sumAvg: 4.645 atom: 1155 118N-HB2 B 0.822 ambi=2 { CB:37.236 } atom: 1163 119K-HA A 3.833 ambi=1 { CA:59.507 } :: atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } atom: 1163 119K-HA A 3.833 ambi=1 { CA:59.507 } ::sumAvg: 4.285 atom: 1155 118N-HB2 B 0.822 ambi=2 { CB:37.236 } atom: 1165 119K-HB2 B 1.884 ambi=2 { CB:32.092 } :: atom: 1155 118N-HB2 B 0.822 ambi=2 { CB:37.236 } atom: 1166 119K-HB3 B 1.942 ambi=2 { CB:32.092 } :: atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } atom: 1165 119K-HB2 B 1.884 ambi=2 { CB:32.092 } :: atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } atom: 1166 119K-HB3 B 1.942 ambi=2 { CB:32.092 } ::sumAvg: 4.85 atom: 1155 118N-HB2 B 0.822 ambi=2 { CB:37.236 } atom: 1168 119K-HG2 G 1.46 ambi=2 { CG:24.548 } :: atom: 1155 118N-HB2 B 0.822 ambi=2 { CB:37.236 } atom: 1169 119K-HG3 G 1.322 ambi=2 { CG:24.548 } :: atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } atom: 1168 119K-HG2 G 1.46 ambi=2 { CG:24.548 } :: atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } atom: 1169 119K-HG3 G 1.322 ambi=2 { CG:24.548 } ::sumAvg: 3.46 atom: 1155 118N-HB2 B 0.822 ambi=2 { CB:37.236 } atom: 1171 119K-QD D 1.5965 ambi=2 { CD:28.931 } :: atom: 1156 118N-HB3 B 2.352 ambi=2 { CB:37.236 } atom: 1171 119K-QD D 1.5965 ambi=2 { CD:28.931 } ::sumAvg: 4.935 atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } atom: 1158 118N-HD21 D2 5.527 ambi=2 { ND2:108.194 } :: atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } atom: 1159 118N-HD22 D2 6.121 ambi=2 { ND2:108.194 } ::sumAvg: 3.95 atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } atom: 1161 119K-H N 7.596 ambi=1 { N:118.814 } ::sumAvg: 4.54 atom: 1163 119K-HA A 3.833 ambi=1 { CA:59.507 } atom: 1175 119K-QE E 2.8625 ambi=2 { CE:41.91 } ::sumAvg: 4.135 atom: 1163 119K-HA A 3.833 ambi=1 { CA:59.507 } atom: 1201 123D-H N 8.163 ambi=1 { N:117.454 } ::sumAvg: 4.34 atom: 1165 119K-HB2 B 1.884 ambi=2 { CB:32.092 } atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } :: atom: 1166 119K-HB3 B 1.942 ambi=2 { CB:32.092 } atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } ::sumAvg: 4.66 atom: 1182 120V-HG1 G1 1.031 ambi=2 { CG1:21.063 } atom: 1175 119K-QE E 2.8625 ambi=2 { CE:41.91 } :: atom: 1183 120V-HG2 G2 1.121 ambi=2 { CG2:21.166 } atom: 1175 119K-QE E 2.8625 ambi=2 { CE:41.91 } ::sumAvg: 4.4 atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } atom: 1179 120V-HA A 4.082 ambi=1 { CA:64.531 } ::sumAvg: 4.95 atom: 1179 120V-HA A 4.082 ambi=1 { CA:64.531 } atom: 1208 124I-H N 7.78 ambi=1 { N:118.859 } ::sumAvg: 4.895 atom: 1179 120V-HA A 4.082 ambi=1 { CA:64.531 } atom: 1216 124I-HG12 G1 1.552 ambi=2 { CG1:27.374 } :: atom: 1179 120V-HA A 4.082 ambi=1 { CA:64.531 } atom: 1217 124I-HG13 G1 1.24 ambi=2 { CG1:27.374 } ::sumAvg: 4.875 atom: 1181 120V-HB B 2.297 ambi=1 { CB:31.747 } atom: 1189 121T-HA A 4.411 ambi=1 { CA:62.697 } ::sumAvg: 4.415 atom: 1189 121T-HA A 4.411 ambi=1 { CA:62.697 } atom: 1181 120V-HB B 2.297 ambi=1 { CB:31.747 } ::sumAvg: 4.415 atom: 1181 120V-HB B 2.297 ambi=1 { CB:31.747 } atom: 1205 123D-HB2 B 2.755 ambi=2 { CB:40.701 } ::sumAvg: 4.675 atom: 1205 123D-HB2 B 2.755 ambi=2 { CB:40.701 } atom: 1181 120V-HB B 2.297 ambi=1 { CB:31.747 } ::sumAvg: 4.675 atom: 1181 120V-HB B 2.297 ambi=1 { CB:31.747 } atom: 1216 124I-HG12 G1 1.552 ambi=2 { CG1:27.374 } :: atom: 1181 120V-HB B 2.297 ambi=1 { CB:31.747 } atom: 1217 124I-HG13 G1 1.24 ambi=2 { CG1:27.374 } ::sumAvg: 4.855 atom: 1216 124I-HG12 G1 1.552 ambi=2 { CG1:27.374 } atom: 1181 120V-HB B 2.297 ambi=1 { CB:31.747 } :: atom: 1217 124I-HG13 G1 1.24 ambi=2 { CG1:27.374 } atom: 1181 120V-HB B 2.297 ambi=1 { CB:31.747 } ::sumAvg: 4.855 atom: 1181 120V-HB B 2.297 ambi=1 { CB:31.747 } atom: 1218 124I-HD1 D1 0.887 ambi=1 { CD1:13.315 } ::sumAvg: 4.425 atom: 1218 124I-HD1 D1 0.887 ambi=1 { CD1:13.315 } atom: 1181 120V-HB B 2.297 ambi=1 { CB:31.747 } ::sumAvg: 4.425 atom: 1182 120V-HG1 G1 1.031 ambi=2 { CG1:21.063 } atom: 1191 121T-HB B 4.561 ambi=1 { CB:69.654 } :: atom: 1183 120V-HG2 G2 1.121 ambi=2 { CG2:21.166 } atom: 1191 121T-HB B 4.561 ambi=1 { CB:69.654 } ::sumAvg: 4.435 atom: 1182 120V-HG1 G1 1.031 ambi=2 { CG1:21.063 } atom: 1205 123D-HB2 B 2.755 ambi=2 { CB:40.701 } :: atom: 1182 120V-HG1 G1 1.031 ambi=2 { CG1:21.063 } atom: 1206 123D-HB3 B 2.663 ambi=2 { CB:40.701 } :: atom: 1183 120V-HG2 G2 1.121 ambi=2 { CG2:21.166 } atom: 1205 123D-HB2 B 2.755 ambi=2 { CB:40.701 } :: atom: 1183 120V-HG2 G2 1.121 ambi=2 { CG2:21.166 } atom: 1206 123D-HB3 B 2.663 ambi=2 { CB:40.701 } ::sumAvg: 4.635 atom: 1205 123D-HB2 B 2.755 ambi=2 { CB:40.701 } atom: 1182 120V-HG1 G1 1.031 ambi=2 { CG1:21.063 } :: atom: 1206 123D-HB3 B 2.663 ambi=2 { CB:40.701 } atom: 1182 120V-HG1 G1 1.031 ambi=2 { CG1:21.063 } :: atom: 1205 123D-HB2 B 2.755 ambi=2 { CB:40.701 } atom: 1183 120V-HG2 G2 1.121 ambi=2 { CG2:21.166 } :: atom: 1206 123D-HB3 B 2.663 ambi=2 { CB:40.701 } atom: 1183 120V-HG2 G2 1.121 ambi=2 { CG2:21.166 } ::sumAvg: 4.635 atom: 1216 124I-HG12 G1 1.552 ambi=2 { CG1:27.374 } atom: 1182 120V-HG1 G1 1.031 ambi=2 { CG1:21.063 } :: atom: 1216 124I-HG12 G1 1.552 ambi=2 { CG1:27.374 } atom: 1183 120V-HG2 G2 1.121 ambi=2 { CG2:21.166 } ::sumAvg: 4.89 atom: 1189 121T-HA A 4.411 ambi=1 { CA:62.697 } atom: 1205 123D-HB2 B 2.755 ambi=2 { CB:40.701 } :: atom: 1189 121T-HA A 4.411 ambi=1 { CA:62.697 } atom: 1206 123D-HB3 B 2.663 ambi=2 { CB:40.701 } ::sumAvg: 4.755 atom: 1205 123D-HB2 B 2.755 ambi=2 { CB:40.701 } atom: 1189 121T-HA A 4.411 ambi=1 { CA:62.697 } :: atom: 1206 123D-HB3 B 2.663 ambi=2 { CB:40.701 } atom: 1189 121T-HA A 4.411 ambi=1 { CA:62.697 } ::sumAvg: 4.755 atom: 1189 121T-HA A 4.411 ambi=1 { CA:62.697 } atom: 1213 124I-HG2 G2 0.958 ambi=1 { CG2:17.23 } ::sumAvg: 4.29 atom: 1189 121T-HA A 4.411 ambi=1 { CA:62.697 } atom: 1221 125G-H N 8.323 ambi=1 { N:111.803 } ::sumAvg: 4.61 atom: 1189 121T-HA A 4.411 ambi=1 { CA:62.697 } atom: 1233 126L-HG G 1.595 ambi=1 { CG:26.989 } ::sumAvg: 4.205 atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } atom: 1189 121T-HA A 4.411 ambi=1 { CA:62.697 } :: atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } atom: 1189 121T-HA A 4.411 ambi=1 { CA:62.697 } ::sumAvg: 3.63 atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } atom: 1191 121T-HB B 4.561 ambi=1 { CB:69.654 } ::sumAvg: 4.935 atom: 1212 124I-HB B 1.981 ambi=1 { CB:38.435 } atom: 1191 121T-HB B 4.561 ambi=1 { CB:69.654 } ::sumAvg: 4.12 atom: 1230 126L-QB B 1.6025 ambi=2 { CB:43.039 } atom: 1191 121T-HB B 4.561 ambi=1 { CB:69.654 } ::sumAvg: 3.66 atom: 1233 126L-HG G 1.595 ambi=1 { CG:26.989 } atom: 1191 121T-HB B 4.561 ambi=1 { CB:69.654 } ::sumAvg: 3.32 atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } atom: 1191 121T-HB B 4.561 ambi=1 { CB:69.654 } :: atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } atom: 1191 121T-HB B 4.561 ambi=1 { CB:69.654 } ::sumAvg: 2.225 atom: 1192 121T-HG2 G2 1.377 ambi=1 { CG2:22.156 } atom: 1208 124I-H N 7.78 ambi=1 { N:118.859 } ::sumAvg: 4.96 atom: 1192 121T-HG2 G2 1.377 ambi=1 { CG2:22.156 } atom: 1212 124I-HB B 1.981 ambi=1 { CB:38.435 } ::sumAvg: 4.355 atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } atom: 1192 121T-HG2 G2 1.377 ambi=1 { CG2:22.156 } :: atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } atom: 1192 121T-HG2 G2 1.377 ambi=1 { CG2:22.156 } ::sumAvg: 2.99 atom: 1205 123D-HB2 B 2.755 ambi=2 { CB:40.701 } atom: 1195 122A-H N 7.651 ambi=1 { N:125.515 } :: atom: 1206 123D-HB3 B 2.663 ambi=2 { CB:40.701 } atom: 1195 122A-H N 7.651 ambi=1 { N:125.515 } ::sumAvg: 4.915 atom: 1230 126L-QB B 1.6025 ambi=2 { CB:43.039 } atom: 1195 122A-H N 7.651 ambi=1 { N:125.515 } ::sumAvg: 4.89 atom: 1233 126L-HG G 1.595 ambi=1 { CG:26.989 } atom: 1195 122A-H N 7.651 ambi=1 { N:125.515 } ::sumAvg: 4.985 atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } atom: 1195 122A-H N 7.651 ambi=1 { N:125.515 } :: atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } atom: 1195 122A-H N 7.651 ambi=1 { N:125.515 } ::sumAvg: 4.26 atom: 1197 122A-HA A 4.27 ambi=1 { CA:53.979 } atom: 1230 126L-QB B 1.6025 ambi=2 { CB:43.039 } ::sumAvg: 3.065 atom: 1230 126L-QB B 1.6025 ambi=2 { CB:43.039 } atom: 1197 122A-HA A 4.27 ambi=1 { CA:53.979 } ::sumAvg: 3.065 atom: 1197 122A-HA A 4.27 ambi=1 { CA:53.979 } atom: 1233 126L-HG G 1.595 ambi=1 { CG:26.989 } ::sumAvg: 3.87 atom: 1233 126L-HG G 1.595 ambi=1 { CG:26.989 } atom: 1197 122A-HA A 4.27 ambi=1 { CA:53.979 } ::sumAvg: 3.87 atom: 1197 122A-HA A 4.27 ambi=1 { CA:53.979 } atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } :: atom: 1197 122A-HA A 4.27 ambi=1 { CA:53.979 } atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } ::sumAvg: 4.005 atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } atom: 1197 122A-HA A 4.27 ambi=1 { CA:53.979 } :: atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } atom: 1197 122A-HA A 4.27 ambi=1 { CA:53.979 } ::sumAvg: 4.005 atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } atom: 1203 123D-HA A 4.633 ambi=1 { CA:54.441 } ::sumAvg: 3.92 atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } atom: 1205 123D-HB2 B 2.755 ambi=2 { CB:40.701 } :: atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } atom: 1206 123D-HB3 B 2.663 ambi=2 { CB:40.701 } ::sumAvg: 4.13 atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } atom: 1208 124I-H N 7.78 ambi=1 { N:118.859 } ::sumAvg: 4.54 atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } atom: 1221 125G-H N 8.323 ambi=1 { N:111.803 } ::sumAvg: 4.48 atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } atom: 1223 125G-QA A 3.953 ambi=2 { CA:45.334 } ::sumAvg: 4.91 atom: 1223 125G-QA A 3.953 ambi=2 { CA:45.334 } atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } ::sumAvg: 4.91 atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } :: atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } atom: 1198 122A-HB B 1.413 ambi=1 { CB:18.593 } ::sumAvg: 4.255 atom: 1212 124I-HB B 1.981 ambi=1 { CB:38.435 } atom: 1201 123D-H N 8.163 ambi=1 { N:117.454 } ::sumAvg: 4.89 atom: 1216 124I-HG12 G1 1.552 ambi=2 { CG1:27.374 } atom: 1201 123D-H N 8.163 ambi=1 { N:117.454 } :: atom: 1217 124I-HG13 G1 1.24 ambi=2 { CG1:27.374 } atom: 1201 123D-H N 8.163 ambi=1 { N:117.454 } ::sumAvg: 4.31 atom: 1210 124I-HA A 4.139 ambi=1 { CA:62.074 } atom: 1203 123D-HA A 4.633 ambi=1 { CA:54.441 } ::sumAvg: 4.82 atom: 1205 123D-HB2 B 2.755 ambi=2 { CB:40.701 } atom: 1210 124I-HA A 4.139 ambi=1 { CA:62.074 } :: atom: 1206 123D-HB3 B 2.663 ambi=2 { CB:40.701 } atom: 1210 124I-HA A 4.139 ambi=1 { CA:62.074 } ::sumAvg: 4.33 atom: 1216 124I-HG12 G1 1.552 ambi=2 { CG1:27.374 } atom: 1205 123D-HB2 B 2.755 ambi=2 { CB:40.701 } :: atom: 1217 124I-HG13 G1 1.24 ambi=2 { CG1:27.374 } atom: 1205 123D-HB2 B 2.755 ambi=2 { CB:40.701 } :: atom: 1216 124I-HG12 G1 1.552 ambi=2 { CG1:27.374 } atom: 1206 123D-HB3 B 2.663 ambi=2 { CB:40.701 } :: atom: 1217 124I-HG13 G1 1.24 ambi=2 { CG1:27.374 } atom: 1206 123D-HB3 B 2.663 ambi=2 { CB:40.701 } ::sumAvg: 3.385 atom: 1218 124I-HD1 D1 0.887 ambi=1 { CD1:13.315 } atom: 1205 123D-HB2 B 2.755 ambi=2 { CB:40.701 } :: atom: 1218 124I-HD1 D1 0.887 ambi=1 { CD1:13.315 } atom: 1206 123D-HB3 B 2.663 ambi=2 { CB:40.701 } ::sumAvg: 4.775 atom: 1205 123D-HB2 B 2.755 ambi=2 { CB:40.701 } atom: 1221 125G-H N 8.323 ambi=1 { N:111.803 } :: atom: 1206 123D-HB3 B 2.663 ambi=2 { CB:40.701 } atom: 1221 125G-H N 8.323 ambi=1 { N:111.803 } ::sumAvg: 4.975 atom: 1212 124I-HB B 1.981 ambi=1 { CB:38.435 } atom: 1223 125G-QA A 3.953 ambi=2 { CA:45.334 } ::sumAvg: 4.31 atom: 1223 125G-QA A 3.953 ambi=2 { CA:45.334 } atom: 1212 124I-HB B 1.981 ambi=1 { CB:38.435 } ::sumAvg: 4.31 atom: 1212 124I-HB B 1.981 ambi=1 { CB:38.435 } atom: 1226 126L-H N 7.724 ambi=1 { N:127.225 } ::sumAvg: 4.325 atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } atom: 1212 124I-HB B 1.981 ambi=1 { CB:38.435 } :: atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } atom: 1212 124I-HB B 1.981 ambi=1 { CB:38.435 } ::sumAvg: 4.085 atom: 1213 124I-HG2 G2 0.958 ambi=1 { CG2:17.23 } atom: 1226 126L-H N 7.724 ambi=1 { N:127.225 } ::sumAvg: 4.345 atom: 1213 124I-HG2 G2 0.958 ambi=1 { CG2:17.23 } atom: 1233 126L-HG G 1.595 ambi=1 { CG:26.989 } ::sumAvg: 4.19 atom: 1218 124I-HD1 D1 0.887 ambi=1 { CD1:13.315 } atom: 1233 126L-HG G 1.595 ambi=1 { CG:26.989 } ::sumAvg: 4.765 atom: 1228 126L-HA A 4.207 ambi=1 { CA:56.202 } atom: 1221 125G-H N 8.323 ambi=1 { N:111.803 } ::sumAvg: 4.9 atom: 1230 126L-QB B 1.6025 ambi=2 { CB:43.039 } atom: 1221 125G-H N 8.323 ambi=1 { N:111.803 } ::sumAvg: 4.485 atom: 1233 126L-HG G 1.595 ambi=1 { CG:26.989 } atom: 1221 125G-H N 8.323 ambi=1 { N:111.803 } ::sumAvg: 3.595 atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } atom: 1221 125G-H N 8.323 ambi=1 { N:111.803 } :: atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } atom: 1221 125G-H N 8.323 ambi=1 { N:111.803 } ::sumAvg: 4.4 atom: 1230 126L-QB B 1.6025 ambi=2 { CB:43.039 } atom: 1223 125G-QA A 3.953 ambi=2 { CA:45.334 } ::sumAvg: 4.365 atom: 1233 126L-HG G 1.595 ambi=1 { CG:26.989 } atom: 1223 125G-QA A 3.953 ambi=2 { CA:45.334 } ::sumAvg: 4.245 atom: 1223 125G-QA A 3.953 ambi=2 { CA:45.334 } atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } :: atom: 1223 125G-QA A 3.953 ambi=2 { CA:45.334 } atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } ::sumAvg: 4.395 atom: 1234 126L-HD1 D1 0.908 ambi=2 { CD1:25.155 } atom: 1223 125G-QA A 3.953 ambi=2 { CA:45.334 } :: atom: 1235 126L-HD2 D2 0.872 ambi=2 { CD2:22.913 } atom: 1223 125G-QA A 3.953 ambi=2 { CA:45.334 } ::sumAvg: 4.395