# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 16 3N-H N 8.716 ambi=1 { N:121.115 } atom: 2 2K-HB2 B 1.839 ambi=2 { CB:33.232 } :: atom: 16 3N-H N 8.716 ambi=1 { N:121.115 } atom: 3 2K-HB3 B 1.756 ambi=2 { CB:33.232 } ::sumAvg: 3.435 atom: 16 3N-H N 8.716 ambi=1 { N:121.115 } atom: 8 2K-QE E 2.996 ambi=2 { CE:42.154 } ::sumAvg: 4.725 atom: 20 3N-HD21 D2 7.681 ambi=2 { ND2:113.089 } atom: 16 3N-H N 8.716 ambi=1 { N:121.115 } :: atom: 21 3N-HD22 D2 6.938 ambi=2 { ND2:113.089 } atom: 16 3N-H N 8.716 ambi=1 { N:121.115 } ::sumAvg: 4.33 atom: 42 6D-H N 8.198 ambi=1 { N:120.242 } atom: 30 4T-HG2 G2 1.2 ambi=1 { CG2:21.58 } ::sumAvg: 3.695 atom: 20 3N-HD21 D2 7.681 ambi=2 { ND2:113.089 } atom: 27 4T-H N 8.317 ambi=1 { N:114.087 } :: atom: 21 3N-HD22 D2 6.938 ambi=2 { ND2:113.089 } atom: 27 4T-H N 8.317 ambi=1 { N:114.087 } ::sumAvg: 4.265 atom: 27 4T-H N 8.317 ambi=1 { N:114.087 } atom: 20 3N-HD21 D2 7.681 ambi=2 { ND2:113.089 } :: atom: 27 4T-H N 8.317 ambi=1 { N:114.087 } atom: 21 3N-HD22 D2 6.938 ambi=2 { ND2:113.089 } ::sumAvg: 4.265 atom: 27 4T-H N 8.317 ambi=1 { N:114.087 } atom: 37 5G-QA A 4.01 ambi=2 { CA:45.216 } ::sumAvg: 4.835 atom: 36 5G-H N 8.469 ambi=1 { N:111.153 } atom: 44 6D-HB2 B 2.647 ambi=2 { CB:41.695 } :: atom: 36 5G-H N 8.469 ambi=1 { N:111.153 } atom: 45 6D-HB3 B 2.569 ambi=2 { CB:41.695 } ::sumAvg: 4.96 atom: 36 5G-H N 8.469 ambi=1 { N:111.153 } atom: 43 6D-HA A 4.688 ambi=1 { CA:54.132 } ::sumAvg: 4.875 atom: 42 6D-H N 8.198 ambi=1 { N:120.242 } atom: 54 7E-HG2 G 2.227 ambi=2 { CG:36.879 } :: atom: 42 6D-H N 8.198 ambi=1 { N:120.242 } atom: 55 7E-HG3 G 2.184 ambi=2 { CG:36.879 } ::sumAvg: 4.75 atom: 42 6D-H N 8.198 ambi=1 { N:120.242 } atom: 268 25T-HG2 G2 1.406 ambi=1 { CG2:22.733 } ::sumAvg: 3.995 atom: 50 7E-H N 8.484 ambi=1 { N:122.312 } atom: 1049 92Q-QG G 2.362 ambi=2 { CG:33.905 } ::sumAvg: 4.17 atom: 61 8V-H N 8.859 ambi=1 { N:115.566 } atom: 1029 90S-HA A 5.08 ambi=1 { CA:58.039 } ::sumAvg: 4.64 atom: 829 73A-H N 8.847 ambi=1 { N:123.049 } atom: 63 8V-HB B 1.869 ambi=1 { CB:35.441 } ::sumAvg: 4.815 atom: 72 9V-H N 9.114 ambi=1 { N:121.967 } atom: 251 24L-H N 8.346 ambi=1 { N:125.963 } ::sumAvg: 4.66 atom: 72 9V-H N 9.114 ambi=1 { N:121.967 } atom: 255 24L-HG G 1.669 ambi=1 { CG:26.232 } ::sumAvg: 4.945 atom: 226 22I-H N 9.366 ambi=1 { N:124.604 } atom: 74 9V-HB B 1.798 ambi=1 { CB:36.043 } ::sumAvg: 4.355 atom: 90 11I-H N 9.392 ambi=1 { N:125.088 } atom: 83 10A-H N 8.902 ambi=1 { N:126.115 } ::sumAvg: 4.35 atom: 83 10A-H N 8.902 ambi=1 { N:126.115 } atom: 110 12I-HD1 D1 0.872 ambi=1 { CD1:15.014 } ::sumAvg: 4.625 atom: 83 10A-H N 8.902 ambi=1 { N:126.115 } atom: 227 22I-HA A 4.602 ambi=1 { CA:57.976 } ::sumAvg: 4.88 atom: 83 10A-H N 8.902 ambi=1 { N:126.115 } atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } ::sumAvg: 4.135 atom: 90 11I-H N 9.392 ambi=1 { N:125.088 } atom: 997 88I-H N 8.406 ambi=1 { N:125.218 } ::sumAvg: 4.71 atom: 90 11I-H N 9.392 ambi=1 { N:125.088 } atom: 1015 89K-HG2 G 1.345 ambi=2 { CG:24.626 } :: atom: 90 11I-H N 9.392 ambi=1 { N:125.088 } atom: 1016 89K-HG3 G 1.294 ambi=2 { CG:24.626 } ::sumAvg: 4.485 atom: 986 87E-H N 8.687 ambi=1 { N:125.169 } atom: 91 11I-HA A 4.443 ambi=1 { CA:60.773 } ::sumAvg: 4.825 atom: 986 87E-H N 8.687 ambi=1 { N:125.169 } atom: 93 11I-HG12 G1 1.468 ambi=2 { CG1:27.277 } :: atom: 986 87E-H N 8.687 ambi=1 { N:125.169 } atom: 94 11I-HG13 G1 1.183 ambi=2 { CG1:27.277 } ::sumAvg: 4.8 atom: 104 12I-H N 9.146 ambi=1 { N:129.268 } atom: 215 21E-H N 8.534 ambi=1 { N:123.704 } ::sumAvg: 4.805 atom: 215 21E-H N 8.534 ambi=1 { N:123.704 } atom: 104 12I-H N 9.146 ambi=1 { N:129.268 } ::sumAvg: 4.805 atom: 986 87E-H N 8.687 ambi=1 { N:125.169 } atom: 110 12I-HD1 D1 0.872 ambi=1 { CD1:15.014 } ::sumAvg: 4.755 atom: 118 13S-H N 9.694 ambi=1 { N:123.583 } atom: 958 85F-HA A 5.184 ambi=1 { CA:56.215 } ::sumAvg: 4.91 atom: 975 86V-H N 8.89 ambi=1 { N:125.549 } atom: 118 13S-H N 9.694 ambi=1 { N:123.583 } ::sumAvg: 4.735 atom: 957 85F-H N 8.851 ambi=1 { N:129.548 } atom: 119 13S-HA A 5.607 ambi=1 { CA:57.263 } ::sumAvg: 4.815 atom: 174 18V-H N 8.757 ambi=1 { N:125.259 } atom: 120 13S-HB2 B 3.679 ambi=2 { CB:66.255 } :: atom: 174 18V-H N 8.757 ambi=1 { N:125.259 } atom: 121 13S-HB3 B 3.475 ambi=2 { CB:66.255 } ::sumAvg: 4.215 atom: 144 15N-HD21 D2 7.617 ambi=2 { ND2:111.599 } atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } :: atom: 145 15N-HD22 D2 6.921 ambi=2 { ND2:111.599 } atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } ::sumAvg: 4.965 atom: 157 17K-H N 7.612 ambi=1 { N:120.793 } atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } ::sumAvg: 4.62 atom: 132 14Q-HE21 E2 8.065 ambi=2 { NE2:112.982 } atom: 144 15N-HD21 D2 7.617 ambi=2 { ND2:111.599 } :: atom: 132 14Q-HE21 E2 8.065 ambi=2 { NE2:112.982 } atom: 145 15N-HD22 D2 6.921 ambi=2 { ND2:111.599 } :: atom: 133 14Q-HE22 E2 6.62 ambi=2 { NE2:112.982 } atom: 144 15N-HD21 D2 7.617 ambi=2 { ND2:111.599 } ::sumAvg: 4.02 atom: 144 15N-HD21 D2 7.617 ambi=2 { ND2:111.599 } atom: 132 14Q-HE21 E2 8.065 ambi=2 { NE2:112.982 } :: atom: 145 15N-HD22 D2 6.921 ambi=2 { ND2:111.599 } atom: 132 14Q-HE21 E2 8.065 ambi=2 { NE2:112.982 } :: atom: 144 15N-HD21 D2 7.617 ambi=2 { ND2:111.599 } atom: 133 14Q-HE22 E2 6.62 ambi=2 { NE2:112.982 } ::sumAvg: 4.02 atom: 132 14Q-HE21 E2 8.065 ambi=2 { NE2:112.982 } atom: 392 36K-H N 9.316 ambi=1 { N:131.473 } :: atom: 133 14Q-HE22 E2 6.62 ambi=2 { NE2:112.982 } atom: 392 36K-H N 9.316 ambi=1 { N:131.473 } ::sumAvg: 4.485 atom: 392 36K-H N 9.316 ambi=1 { N:131.473 } atom: 132 14Q-HE21 E2 8.065 ambi=2 { NE2:112.982 } :: atom: 392 36K-H N 9.316 ambi=1 { N:131.473 } atom: 133 14Q-HE22 E2 6.62 ambi=2 { NE2:112.982 } ::sumAvg: 4.485 atom: 132 14Q-HE21 E2 8.065 ambi=2 { NE2:112.982 } atom: 393 36K-HA A 4.627 ambi=1 { CA:56.355 } :: atom: 133 14Q-HE22 E2 6.62 ambi=2 { NE2:112.982 } atom: 393 36K-HA A 4.627 ambi=1 { CA:56.355 } ::sumAvg: 4.44 atom: 415 38K-H N 7.977 ambi=1 { N:123.418 } atom: 133 14Q-HE22 E2 6.62 ambi=2 { NE2:112.982 } ::sumAvg: 4.71 atom: 144 15N-HD21 D2 7.617 ambi=2 { ND2:111.599 } atom: 140 15N-H N 9.754 ambi=1 { N:126.177 } :: atom: 145 15N-HD22 D2 6.921 ambi=2 { ND2:111.599 } atom: 140 15N-H N 9.754 ambi=1 { N:126.177 } ::sumAvg: 3.525 atom: 140 15N-H N 9.754 ambi=1 { N:126.177 } atom: 946 84V-H N 7.72 ambi=1 { N:118.592 } ::sumAvg: 4.89 atom: 946 84V-H N 7.72 ambi=1 { N:118.592 } atom: 140 15N-H N 9.754 ambi=1 { N:126.177 } ::sumAvg: 4.89 atom: 140 15N-H N 9.754 ambi=1 { N:126.177 } atom: 957 85F-H N 8.851 ambi=1 { N:129.548 } ::sumAvg: 4.82 atom: 957 85F-H N 8.851 ambi=1 { N:129.548 } atom: 140 15N-H N 9.754 ambi=1 { N:126.177 } ::sumAvg: 4.82 atom: 151 16G-H N 9.072 ambi=1 { N:103.457 } atom: 158 17K-HA A 4.683 ambi=1 { CA:54.244 } ::sumAvg: 4.975 atom: 151 16G-H N 9.072 ambi=1 { N:103.457 } atom: 161 17K-HG2 G 1.438 ambi=2 { CG:24.498 } :: atom: 151 16G-H N 9.072 ambi=1 { N:103.457 } atom: 162 17K-HG3 G 1.366 ambi=2 { CG:24.498 } ::sumAvg: 4.185 atom: 157 17K-H N 7.612 ambi=1 { N:120.793 } atom: 163 17K-HD2 D 1.703 ambi=2 { CD:29.053 } :: atom: 157 17K-H N 7.612 ambi=1 { N:120.793 } atom: 164 17K-HD3 D 1.492 ambi=2 { CD:29.053 } ::sumAvg: 4.53 atom: 157 17K-H N 7.612 ambi=1 { N:120.793 } atom: 165 17K-QE E 3.037 ambi=2 { CE:42.406 } ::sumAvg: 4.605 atom: 185 19I-H N 9.442 ambi=1 { N:123.467 } atom: 201 20R-HB2 B 1.715 ambi=2 { CB:34.488 } :: atom: 185 19I-H N 9.442 ambi=1 { N:123.467 } atom: 202 20R-HB3 B 1.484 ambi=2 { CB:34.488 } ::sumAvg: 4.735 atom: 207 20R-HE E 6.939 ambi=1 { NE:82.347 } atom: 200 20R-HA A 4.498 ambi=1 { CA:55.983 } ::sumAvg: 3.075 atom: 207 20R-HE E 6.939 ambi=1 { NE:82.347 } atom: 201 20R-HB2 B 1.715 ambi=2 { CB:34.488 } :: atom: 207 20R-HE E 6.939 ambi=1 { NE:82.347 } atom: 202 20R-HB3 B 1.484 ambi=2 { CB:34.488 } ::sumAvg: 3.32 atom: 207 20R-HE E 6.939 ambi=1 { NE:82.347 } atom: 203 20R-HG2 G 1.416 ambi=2 { CG:27.325 } :: atom: 207 20R-HE E 6.939 ambi=1 { NE:82.347 } atom: 204 20R-HG3 G 1.333 ambi=2 { CG:27.325 } ::sumAvg: 2.805 atom: 207 20R-HE E 6.939 ambi=1 { NE:82.347 } atom: 205 20R-HD2 D 2.858 ambi=2 { CD:42.532 } :: atom: 207 20R-HE E 6.939 ambi=1 { NE:82.347 } atom: 206 20R-HD3 D 2.628 ambi=2 { CD:42.532 } ::sumAvg: 2.54 atom: 207 20R-HE E 6.939 ambi=1 { NE:82.347 } atom: 215 21E-H N 8.534 ambi=1 { N:123.704 } ::sumAvg: 3.7 atom: 215 21E-H N 8.534 ambi=1 { N:123.704 } atom: 207 20R-HE E 6.939 ambi=1 { NE:82.347 } ::sumAvg: 3.7 atom: 207 20R-HE E 6.939 ambi=1 { NE:82.347 } atom: 229 22I-HG12 G1 1.303 ambi=2 { CG1:27.189 } :: atom: 207 20R-HE E 6.939 ambi=1 { NE:82.347 } atom: 230 22I-HG13 G1 0.945 ambi=2 { CG1:27.189 } ::sumAvg: 4.945 atom: 207 20R-HE E 6.939 ambi=1 { NE:82.347 } atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } ::sumAvg: 3.91 atom: 215 21E-H N 8.534 ambi=1 { N:123.704 } atom: 227 22I-HA A 4.602 ambi=1 { CA:57.976 } ::sumAvg: 4.785 atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } atom: 252 24L-HA A 4.345 ambi=1 { CA:55.62 } ::sumAvg: 4.98 atom: 265 25T-H N 7.333 ambi=1 { N:115.493 } atom: 255 24L-HG G 1.669 ambi=1 { CG:26.232 } ::sumAvg: 4.22 atom: 265 25T-H N 7.333 ambi=1 { N:115.493 } atom: 280 27H-H N 8.12 ambi=1 { N:120.928 } ::sumAvg: 4.505 atom: 280 27H-H N 8.12 ambi=1 { N:120.928 } atom: 265 25T-H N 7.333 ambi=1 { N:115.493 } ::sumAvg: 4.505 atom: 265 25T-H N 7.333 ambi=1 { N:115.493 } atom: 551 50E-HG2 G 2.682 ambi=2 { CG:36.814 } :: atom: 265 25T-H N 7.333 ambi=1 { N:115.493 } atom: 552 50E-HG3 G 2.449 ambi=2 { CG:36.814 } ::sumAvg: 4.915 atom: 274 26G-H N 9.718 ambi=1 { N:117.796 } atom: 282 27H-HB2 B 3.493 ambi=2 { CB:27.172 } :: atom: 274 26G-H N 9.718 ambi=1 { N:117.796 } atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } ::sumAvg: 4.82 atom: 280 27H-H N 8.12 ambi=1 { N:120.928 } atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } :: atom: 280 27H-H N 8.12 ambi=1 { N:120.928 } atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } ::sumAvg: 4.97 atom: 315 30N-H N 8.532 ambi=1 { N:120.207 } atom: 285 27H-HE1 E1 7.981 ambi=1 { CE1:134.53 } ::sumAvg: 4.625 atom: 292 28K-H N 8.052 ambi=1 { N:127.192 } atom: 300 28K-QE E 2.952 ambi=2 { CE:42.299 } ::sumAvg: 4.08 atom: 309 29G-H N 8.559 ambi=1 { N:108.577 } atom: 300 28K-QE E 2.952 ambi=2 { CE:42.299 } ::sumAvg: 4.8 atom: 543 49G-H N 9.212 ambi=1 { N:115.426 } atom: 310 29G-HA2 A 4.058 ambi=2 { CA:44.45 } :: atom: 543 49G-H N 9.212 ambi=1 { N:115.426 } atom: 311 29G-HA3 A 3.777 ambi=2 { CA:44.45 } ::sumAvg: 4.485 atom: 319 30N-HD21 D2 9.236 ambi=2 { ND2:117.057 } atom: 315 30N-H N 8.532 ambi=1 { N:120.207 } ::sumAvg: 4.775 atom: 315 30N-H N 8.532 ambi=1 { N:120.207 } atom: 328 31E-QB B 2.164 ambi=2 { CB:34.037 } ::sumAvg: 4.82 atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } atom: 316 30N-HA A 5.94 ambi=1 { CA:53.456 } ::sumAvg: 4.98 atom: 535 48D-H N 8.62 ambi=1 { N:127.406 } atom: 316 30N-HA A 5.94 ambi=1 { CA:53.456 } ::sumAvg: 4.905 atom: 543 49G-H N 9.212 ambi=1 { N:115.426 } atom: 317 30N-QB B 2.677 ambi=2 { CB:43.365 } ::sumAvg: 4.665 atom: 320 30N-HD22 D2 8.437 ambi=2 { ND2:117.057 } atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } ::sumAvg: 4.51 atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } atom: 320 30N-HD22 D2 8.437 ambi=2 { ND2:117.057 } ::sumAvg: 4.51 atom: 319 30N-HD21 D2 9.236 ambi=2 { ND2:117.057 } atom: 535 48D-H N 8.62 ambi=1 { N:127.406 } ::sumAvg: 4.68 atom: 543 49G-H N 9.212 ambi=1 { N:115.426 } atom: 320 30N-HD22 D2 8.437 ambi=2 { ND2:117.057 } ::sumAvg: 4.585 atom: 319 30N-HD21 D2 9.236 ambi=2 { ND2:117.057 } atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } :: atom: 320 30N-HD22 D2 8.437 ambi=2 { ND2:117.057 } atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } ::sumAvg: 4.155 atom: 326 31E-H N 9.531 ambi=1 { N:126.516 } atom: 535 48D-H N 8.62 ambi=1 { N:127.406 } ::sumAvg: 4.885 atom: 535 48D-H N 8.62 ambi=1 { N:127.406 } atom: 326 31E-H N 9.531 ambi=1 { N:126.516 } ::sumAvg: 4.885 atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } atom: 327 31E-HA A 4.896 ambi=1 { CA:55.488 } ::sumAvg: 4.745 atom: 351 33F-H N 8.318 ambi=1 { N:117.447 } atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } :: atom: 351 33F-H N 8.318 ambi=1 { N:117.447 } atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } ::sumAvg: 4.84 atom: 337 32Q-H N 8.823 ambi=1 { N:122.567 } atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } :: atom: 337 32Q-H N 8.823 ambi=1 { N:122.567 } atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } ::sumAvg: 4.98 atom: 337 32Q-H N 8.823 ambi=1 { N:122.567 } atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } ::sumAvg: 4.73 atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } atom: 337 32Q-H N 8.823 ambi=1 { N:122.567 } ::sumAvg: 4.73 atom: 500 45M-H N 9.007 ambi=1 { N:126.006 } atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } ::sumAvg: 4.995 atom: 513 46E-H N 8.642 ambi=1 { N:120.778 } atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } ::sumAvg: 4.93 atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } atom: 351 33F-H N 8.318 ambi=1 { N:117.447 } ::sumAvg: 4.935 atom: 369 34T-H N 9.075 ambi=1 { N:118.314 } atom: 487 44L-HA A 4.76 ambi=1 { CA:55.196 } ::sumAvg: 4.87 atom: 486 44L-H N 9.374 ambi=1 { N:128.409 } atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } ::sumAvg: 4.715 atom: 378 35I-H N 9.081 ambi=1 { N:127.131 } atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } :: atom: 378 35I-H N 9.081 ambi=1 { N:127.131 } atom: 462 42Y-HB3 B 2.691 ambi=2 { CB:41.359 } ::sumAvg: 4.375 atom: 409 37G-H N 7.971 ambi=1 { N:113.29 } atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } ::sumAvg: 4.235 atom: 392 36K-H N 9.316 ambi=1 { N:131.473 } atom: 400 36K-QE E 3.023 ambi=2 { CE:41.951 } ::sumAvg: 3.81 atom: 392 36K-H N 9.316 ambi=1 { N:131.473 } atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } ::sumAvg: 4.91 atom: 392 36K-H N 9.316 ambi=1 { N:131.473 } atom: 475 43N-H N 8.417 ambi=1 { N:112.825 } ::sumAvg: 4.79 atom: 475 43N-H N 8.417 ambi=1 { N:112.825 } atom: 392 36K-H N 9.316 ambi=1 { N:131.473 } ::sumAvg: 4.79 atom: 409 37G-H N 7.971 ambi=1 { N:113.29 } atom: 459 42Y-H N 8.758 ambi=1 { N:121.537 } ::sumAvg: 4.5 atom: 409 37G-H N 7.971 ambi=1 { N:113.29 } atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } :: atom: 409 37G-H N 7.971 ambi=1 { N:113.29 } atom: 462 42Y-HB3 B 2.691 ambi=2 { CB:41.359 } ::sumAvg: 3.93 atom: 475 43N-H N 8.417 ambi=1 { N:112.825 } atom: 409 37G-H N 7.971 ambi=1 { N:113.29 } ::sumAvg: 4.36 atom: 432 39G-H N 8.789 ambi=1 { N:113.099 } atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } :: atom: 432 39G-H N 8.789 ambi=1 { N:113.099 } atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } ::sumAvg: 4.955 atom: 415 38K-H N 7.977 ambi=1 { N:123.418 } atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } ::sumAvg: 4.275 atom: 432 39G-H N 8.789 ambi=1 { N:113.099 } atom: 423 38K-QE E 2.987 ambi=2 { CE:42.225 } ::sumAvg: 4.785 atom: 438 40A-H N 8.881 ambi=1 { N:129.184 } atom: 447 41Q-HB2 B 0.116 ambi=2 { CB:28.718 } :: atom: 438 40A-H N 8.881 ambi=1 { N:129.184 } atom: 448 41Q-HB3 B 1.654 ambi=2 { CB:28.718 } ::sumAvg: 4.855 atom: 438 40A-H N 8.881 ambi=1 { N:129.184 } atom: 449 41Q-HG2 G 2.525 ambi=2 { CG:33.242 } :: atom: 438 40A-H N 8.881 ambi=1 { N:129.184 } atom: 450 41Q-HG3 G 2.011 ambi=2 { CG:33.242 } ::sumAvg: 3.985 atom: 657 58N-HD21 D2 7.585 ambi=2 { ND2:108.077 } atom: 439 40A-HA A 4.399 ambi=1 { CA:51.658 } :: atom: 658 58N-HD22 D2 7.258 ambi=2 { ND2:108.077 } atom: 439 40A-HA A 4.399 ambi=1 { CA:51.658 } ::sumAvg: 4.815 atom: 445 41Q-H N 7.959 ambi=1 { N:120.54 } atom: 452 41Q-HE22 E2 6.454 ambi=2 { NE2:109.49 } ::sumAvg: 4.84 atom: 452 41Q-HE22 E2 6.454 ambi=2 { NE2:109.49 } atom: 445 41Q-H N 7.959 ambi=1 { N:120.54 } ::sumAvg: 4.84 atom: 445 41Q-H N 7.959 ambi=1 { N:120.54 } atom: 463 42Y-QD D 6.932 ambi=3 { CD1:133.373 } ::sumAvg: 4.895 atom: 445 41Q-H N 7.959 ambi=1 { N:120.54 } atom: 658 58N-HD22 D2 7.258 ambi=2 { ND2:108.077 } ::sumAvg: 4.6 atom: 658 58N-HD22 D2 7.258 ambi=2 { ND2:108.077 } atom: 445 41Q-H N 7.959 ambi=1 { N:120.54 } ::sumAvg: 4.6 atom: 653 58N-H N 7.311 ambi=1 { N:113.344 } atom: 446 41Q-HA A 3.954 ambi=1 { CA:57.174 } ::sumAvg: 4.27 atom: 657 58N-HD21 D2 7.585 ambi=2 { ND2:108.077 } atom: 449 41Q-HG2 G 2.525 ambi=2 { CG:33.242 } :: atom: 658 58N-HD22 D2 7.258 ambi=2 { ND2:108.077 } atom: 449 41Q-HG2 G 2.525 ambi=2 { CG:33.242 } :: atom: 657 58N-HD21 D2 7.585 ambi=2 { ND2:108.077 } atom: 450 41Q-HG3 G 2.011 ambi=2 { CG:33.242 } :: atom: 658 58N-HD22 D2 7.258 ambi=2 { ND2:108.077 } atom: 450 41Q-HG3 G 2.011 ambi=2 { CG:33.242 } ::sumAvg: 4.505 atom: 451 41Q-HE21 E2 7.603 ambi=2 { NE2:109.49 } atom: 905 81P-HA A 4.465 ambi=1 { CA:66.463 } :: atom: 452 41Q-HE22 E2 6.454 ambi=2 { NE2:109.49 } atom: 905 81P-HA A 4.465 ambi=1 { CA:66.463 } ::sumAvg: 4.63 atom: 459 42Y-H N 8.758 ambi=1 { N:121.537 } atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } ::sumAvg: 4.77 atom: 475 43N-H N 8.417 ambi=1 { N:112.825 } atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } :: atom: 475 43N-H N 8.417 ambi=1 { N:112.825 } atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } ::sumAvg: 4.81 atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } atom: 475 43N-H N 8.417 ambi=1 { N:112.825 } :: atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } atom: 475 43N-H N 8.417 ambi=1 { N:112.825 } ::sumAvg: 4.81 atom: 500 45M-H N 9.007 ambi=1 { N:126.006 } atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } ::sumAvg: 4.68 atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } atom: 605 54I-HB B 1.328 ambi=1 { CB:37.716 } :: atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } atom: 605 54I-HB B 1.328 ambi=1 { CB:37.716 } ::sumAvg: 4.835 atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } :: atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } ::sumAvg: 4.245 atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } atom: 653 58N-H N 7.311 ambi=1 { N:113.344 } :: atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } atom: 653 58N-H N 7.311 ambi=1 { N:113.344 } ::sumAvg: 4.87 atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } :: atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } :: atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } :: atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } ::sumAvg: 4.605 atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } :: atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } :: atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } :: atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } ::sumAvg: 4.815 atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } atom: 725 65V-HG1 G1 0.796 ambi=2 { CG1:20.929 } :: atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } atom: 726 65V-HG2 G2 0.676 ambi=2 { CG2:22.81 } :: atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } atom: 725 65V-HG1 G1 0.796 ambi=2 { CG1:20.929 } :: atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } atom: 726 65V-HG2 G2 0.676 ambi=2 { CG2:22.81 } ::sumAvg: 4.85 atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } :: atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } ::sumAvg: 3.815 atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } atom: 948 84V-HB B 1.536 ambi=1 { CB:35.191 } :: atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } atom: 948 84V-HB B 1.536 ambi=1 { CB:35.191 } ::sumAvg: 4.365 atom: 486 44L-H N 9.374 ambi=1 { N:128.409 } atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } ::sumAvg: 4.97 atom: 486 44L-H N 9.374 ambi=1 { N:128.409 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } ::sumAvg: 4.69 atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } atom: 486 44L-H N 9.374 ambi=1 { N:128.409 } ::sumAvg: 4.69 atom: 500 45M-H N 9.007 ambi=1 { N:126.006 } atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } ::sumAvg: 4.965 atom: 500 45M-H N 9.007 ambi=1 { N:126.006 } atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } ::sumAvg: 4.705 atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } ::sumAvg: 4.905 atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } atom: 506 45M-HE E 1.518 ambi=1 { CE:14.643 } ::sumAvg: 3.835 atom: 513 46E-H N 8.642 ambi=1 { N:120.778 } atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } ::sumAvg: 4.785 atom: 513 46E-H N 8.642 ambi=1 { N:120.778 } atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } :: atom: 513 46E-H N 8.642 ambi=1 { N:120.778 } atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } ::sumAvg: 4.16 atom: 513 46E-H N 8.642 ambi=1 { N:120.778 } atom: 595 53R-HE E 6.129 ambi=1 { NE:84.563 } ::sumAvg: 4.92 atom: 595 53R-HE E 6.129 ambi=1 { NE:84.563 } atom: 513 46E-H N 8.642 ambi=1 { N:120.778 } ::sumAvg: 4.92 atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } ::sumAvg: 4.7 atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } atom: 525 47V-HA A 5.053 ambi=1 { CA:60.26 } ::sumAvg: 4.715 atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } :: atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } ::sumAvg: 4.555 atom: 535 48D-H N 8.62 ambi=1 { N:127.406 } atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } ::sumAvg: 4.83 atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } atom: 535 48D-H N 8.62 ambi=1 { N:127.406 } ::sumAvg: 4.83 atom: 535 48D-H N 8.62 ambi=1 { N:127.406 } atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } ::sumAvg: 4.23 atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } ::sumAvg: 4.91 atom: 543 49G-H N 9.212 ambi=1 { N:115.426 } atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } ::sumAvg: 4.365 atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } atom: 543 49G-H N 9.212 ambi=1 { N:115.426 } ::sumAvg: 4.365 atom: 543 49G-H N 9.212 ambi=1 { N:115.426 } atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } :: atom: 543 49G-H N 9.212 ambi=1 { N:115.426 } atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } ::sumAvg: 4.815 atom: 565 51R-HE E 5.805 ambi=1 { NE:82.547 } atom: 544 49G-HA2 A 3.857 ambi=2 { CA:47.577 } :: atom: 565 51R-HE E 5.805 ambi=1 { NE:82.547 } atom: 545 49G-HA3 A 3.987 ambi=2 { CA:47.577 } ::sumAvg: 4.595 atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } atom: 565 51R-HE E 5.805 ambi=1 { NE:82.547 } ::sumAvg: 4.625 atom: 565 51R-HE E 5.805 ambi=1 { NE:82.547 } atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } ::sumAvg: 4.625 atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } ::sumAvg: 4.935 atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } ::sumAvg: 4.925 atom: 565 51R-HE E 5.805 ambi=1 { NE:82.547 } atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } ::sumAvg: 4.63 atom: 565 51R-HE E 5.805 ambi=1 { NE:82.547 } atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } ::sumAvg: 4.88 atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } :: atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } ::sumAvg: 4.455 atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } ::sumAvg: 4.93 atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } ::sumAvg: 4.81 atom: 587 53R-H N 8.824 ambi=1 { N:120.372 } atom: 595 53R-HE E 6.129 ambi=1 { NE:84.563 } ::sumAvg: 4 atom: 587 53R-H N 8.824 ambi=1 { N:120.372 } atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } ::sumAvg: 4.83 atom: 587 53R-H N 8.824 ambi=1 { N:120.372 } atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } ::sumAvg: 4.85 atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } atom: 587 53R-H N 8.824 ambi=1 { N:120.372 } ::sumAvg: 4.85 atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } :: atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } ::sumAvg: 3.805 atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } :: atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } ::sumAvg: 4.885 atom: 767 69W-H N 7.743 ambi=1 { N:117.31 } atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } :: atom: 767 69W-H N 7.743 ambi=1 { N:117.31 } atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } ::sumAvg: 4.865 atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } :: atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } ::sumAvg: 4.815 atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } :: atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } ::sumAvg: 4.535 atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } :: atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } atom: 753 67M-HB3 B 2.05 ambi=2 { CB:32.439 } ::sumAvg: 4.895 atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } ::sumAvg: 4.65 atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } ::sumAvg: 4.65 atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } :: atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } ::sumAvg: 4.905 atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } atom: 623 55K-HD2 D 1.644 ambi=2 { CD:28.841 } :: atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } atom: 624 55K-HD3 D 1.3 ambi=2 { CD:28.841 } ::sumAvg: 4.475 atom: 634 56E-H N 7.53 ambi=1 { N:113.728 } atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } ::sumAvg: 4.895 atom: 634 56E-H N 7.53 ambi=1 { N:113.728 } atom: 647 57D-HB2 B 3.657 ambi=2 { CB:43.612 } :: atom: 634 56E-H N 7.53 ambi=1 { N:113.728 } atom: 648 57D-HB3 B 2.714 ambi=2 { CB:43.612 } ::sumAvg: 4.905 atom: 697 62Q-HE21 E2 7.795 ambi=2 { NE2:119.06 } atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } :: atom: 698 62Q-HE22 E2 6.841 ambi=2 { NE2:119.06 } atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } ::sumAvg: 4.845 atom: 697 62Q-HE21 E2 7.795 ambi=2 { NE2:119.06 } atom: 638 56E-HG2 G 2.273 ambi=2 { CG:36.58 } :: atom: 698 62Q-HE22 E2 6.841 ambi=2 { NE2:119.06 } atom: 638 56E-HG2 G 2.273 ambi=2 { CG:36.58 } :: atom: 697 62Q-HE21 E2 7.795 ambi=2 { NE2:119.06 } atom: 639 56E-HG3 G 2.107 ambi=2 { CG:36.58 } :: atom: 698 62Q-HE22 E2 6.841 ambi=2 { NE2:119.06 } atom: 639 56E-HG3 G 2.107 ambi=2 { CG:36.58 } ::sumAvg: 4.74 atom: 645 57D-H N 9.178 ambi=1 { N:121.386 } atom: 654 58N-HA A 5.056 ambi=1 { CA:50.539 } ::sumAvg: 4.715 atom: 645 57D-H N 9.178 ambi=1 { N:121.386 } atom: 664 59S-H N 9.59 ambi=1 { N:121.122 } ::sumAvg: 4.825 atom: 664 59S-H N 9.59 ambi=1 { N:121.122 } atom: 645 57D-H N 9.178 ambi=1 { N:121.386 } ::sumAvg: 4.825 atom: 697 62Q-HE21 E2 7.795 ambi=2 { NE2:119.06 } atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } :: atom: 698 62Q-HE22 E2 6.841 ambi=2 { NE2:119.06 } atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } ::sumAvg: 4.635 atom: 653 58N-H N 7.311 ambi=1 { N:113.344 } atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } ::sumAvg: 4.93 atom: 653 58N-H N 7.311 ambi=1 { N:113.344 } atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } :: atom: 653 58N-H N 7.311 ambi=1 { N:113.344 } atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } ::sumAvg: 4.72 atom: 664 59S-H N 9.59 ambi=1 { N:121.122 } atom: 695 62Q-HG2 G 2.196 ambi=2 { CG:33.811 } :: atom: 664 59S-H N 9.59 ambi=1 { N:121.122 } atom: 696 62Q-HG3 G 1.951 ambi=2 { CG:33.811 } ::sumAvg: 3.515 atom: 691 62Q-H N 7.839 ambi=1 { N:113.73 } atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } ::sumAvg: 4.485 atom: 697 62Q-HE21 E2 7.795 ambi=2 { NE2:119.06 } atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } :: atom: 698 62Q-HE22 E2 6.841 ambi=2 { NE2:119.06 } atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } ::sumAvg: 4.995 atom: 697 62Q-HE21 E2 7.795 ambi=2 { NE2:119.06 } atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } :: atom: 698 62Q-HE22 E2 6.841 ambi=2 { NE2:119.06 } atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } :: atom: 697 62Q-HE21 E2 7.795 ambi=2 { NE2:119.06 } atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } :: atom: 698 62Q-HE22 E2 6.841 ambi=2 { NE2:119.06 } atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } ::sumAvg: 3.33 atom: 691 62Q-H N 7.839 ambi=1 { N:113.73 } atom: 671 60P-HA A 4.425 ambi=1 { CA:64.418 } ::sumAvg: 4.625 atom: 733 66K-H N 8.14 ambi=1 { N:120.07 } atom: 692 62Q-HA A 3.707 ambi=1 { CA:56.514 } ::sumAvg: 4.985 atom: 733 66K-H N 8.14 ambi=1 { N:120.07 } atom: 693 62Q-HB2 B 2.361 ambi=2 { CB:26.576 } :: atom: 733 66K-H N 8.14 ambi=1 { N:120.07 } atom: 694 62Q-HB3 B 2.216 ambi=2 { CB:26.576 } ::sumAvg: 4.115 atom: 873 78V-H N 7.028 ambi=1 { N:123.767 } atom: 707 63V-HB B 2.031 ambi=1 { CB:31.96 } ::sumAvg: 4.795 atom: 716 64G-H N 8.182 ambi=1 { N:110.73 } atom: 735 66K-QB B 1.925 ambi=2 { CB:32.242 } ::sumAvg: 4.875 atom: 716 64G-H N 8.182 ambi=1 { N:110.73 } atom: 750 67M-H N 7.716 ambi=1 { N:118.739 } ::sumAvg: 4.755 atom: 716 64G-H N 8.182 ambi=1 { N:110.73 } atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } ::sumAvg: 4.085 atom: 716 64G-H N 8.182 ambi=1 { N:110.73 } atom: 885 79C-HA A 4.925 ambi=1 { CA:55.966 } ::sumAvg: 4.65 atom: 716 64G-H N 8.182 ambi=1 { N:110.73 } atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } ::sumAvg: 4.995 atom: 750 67M-H N 7.716 ambi=1 { N:118.739 } atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } ::sumAvg: 4.995 atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } ::sumAvg: 4.945 atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } :: atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } ::sumAvg: 4.925 atom: 767 69W-H N 7.743 ambi=1 { N:117.31 } atom: 772 69W-HE1 E1 10.118 ambi=1 { NE1:129.804 } ::sumAvg: 4.85 atom: 767 69W-H N 7.743 ambi=1 { N:117.31 } atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } ::sumAvg: 4.82 atom: 772 69W-HE1 E1 10.118 ambi=1 { NE1:129.804 } atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } ::sumAvg: 4.96 atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } atom: 804 71S-H N 8.382 ambi=1 { N:109.615 } ::sumAvg: 4.495 atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } :: atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } ::sumAvg: 4.74 atom: 850 76T-H N 7.956 ambi=1 { N:108.385 } atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } :: atom: 850 76T-H N 7.956 ambi=1 { N:108.385 } atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } ::sumAvg: 4.625 atom: 804 71S-H N 8.382 ambi=1 { N:109.615 } atom: 818 72K-QD D 1.711 ambi=2 { CD:29.046 } ::sumAvg: 3.89 atom: 804 71S-H N 8.382 ambi=1 { N:109.615 } atom: 820 72K-QE E 3.048 ambi=2 { CE:42.353 } ::sumAvg: 4.925 atom: 812 72K-H N 8.772 ambi=1 { N:124.576 } atom: 820 72K-QE E 3.048 ambi=2 { CE:42.353 } ::sumAvg: 4.61 atom: 836 74G-H N 8.773 ambi=1 { N:113.307 } atom: 814 72K-QB B 1.784 ambi=2 { CB:34.865 } ::sumAvg: 4.17 atom: 842 75D-H N 8.56 ambi=1 { N:122.163 } atom: 818 72K-QD D 1.711 ambi=2 { CD:29.046 } ::sumAvg: 4.645 atom: 829 73A-H N 8.847 ambi=1 { N:123.049 } atom: 820 72K-QE E 3.048 ambi=2 { CE:42.353 } ::sumAvg: 4.65 atom: 829 73A-H N 8.847 ambi=1 { N:123.049 } atom: 1030 90S-HB2 B 3.952 ambi=2 { CB:63.667 } :: atom: 829 73A-H N 8.847 ambi=1 { N:123.049 } atom: 1031 90S-HB3 B 3.822 ambi=2 { CB:63.667 } ::sumAvg: 4.975 atom: 836 74G-H N 8.773 ambi=1 { N:113.307 } atom: 843 75D-HA A 4.72 ambi=1 { CA:55.306 } ::sumAvg: 4.665 atom: 836 74G-H N 8.773 ambi=1 { N:113.307 } atom: 853 76T-HG2 G2 1.253 ambi=1 { CG2:22.725 } ::sumAvg: 4.985 atom: 836 74G-H N 8.773 ambi=1 { N:113.307 } atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } ::sumAvg: 4.58 atom: 850 76T-H N 7.956 ambi=1 { N:108.385 } atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } ::sumAvg: 4.94 atom: 975 86V-H N 8.89 ambi=1 { N:125.549 } atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } ::sumAvg: 4.795 atom: 859 77I-H N 8.483 ambi=1 { N:116.638 } atom: 874 78V-HA A 4.574 ambi=1 { CA:60.655 } ::sumAvg: 4.81 atom: 859 77I-H N 8.483 ambi=1 { N:116.638 } atom: 976 86V-HA A 4.883 ambi=1 { CA:60.132 } ::sumAvg: 4.555 atom: 975 86V-H N 8.89 ambi=1 { N:125.549 } atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } ::sumAvg: 4.66 atom: 975 86V-H N 8.89 ambi=1 { N:125.549 } atom: 861 77I-HB B 1.137 ambi=1 { CB:42.237 } ::sumAvg: 3.03 atom: 884 79C-H N 8.414 ambi=1 { N:124.524 } atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } ::sumAvg: 3.975 atom: 873 78V-H N 7.028 ambi=1 { N:123.767 } atom: 975 86V-H N 8.89 ambi=1 { N:125.549 } ::sumAvg: 4.99 atom: 975 86V-H N 8.89 ambi=1 { N:125.549 } atom: 873 78V-H N 7.028 ambi=1 { N:123.767 } ::sumAvg: 4.99 atom: 892 80L-H N 9.61 ambi=1 { N:129.147 } atom: 874 78V-HA A 4.574 ambi=1 { CA:60.655 } ::sumAvg: 4.83 atom: 892 80L-H N 9.61 ambi=1 { N:129.147 } atom: 875 78V-HB B 1.939 ambi=1 { CB:35.74 } ::sumAvg: 4.695 atom: 884 79C-H N 8.414 ambi=1 { N:124.524 } atom: 959 85F-HB2 B 2.967 ambi=2 { CB:43.499 } :: atom: 884 79C-H N 8.414 ambi=1 { N:124.524 } atom: 960 85F-HB3 B 2.915 ambi=2 { CB:43.499 } ::sumAvg: 4.53 atom: 975 86V-H N 8.89 ambi=1 { N:125.549 } atom: 884 79C-H N 8.414 ambi=1 { N:124.524 } ::sumAvg: 4.84 atom: 929 83K-H N 8.435 ambi=1 { N:116.99 } atom: 892 80L-H N 9.61 ambi=1 { N:129.147 } ::sumAvg: 4.935 atom: 917 82H-H N 6.659 ambi=1 { N:111.473 } atom: 894 80L-HB2 B 1.8 ambi=2 { CB:39.259 } :: atom: 917 82H-H N 6.659 ambi=1 { N:111.473 } atom: 895 80L-HB3 B 1.702 ambi=2 { CB:39.259 } ::sumAvg: 4.89 atom: 929 83K-H N 8.435 ambi=1 { N:116.99 } atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } ::sumAvg: 4.865 atom: 975 86V-H N 8.89 ambi=1 { N:125.549 } atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } ::sumAvg: 4.9 atom: 1011 89K-H N 9.162 ambi=1 { N:128.65 } atom: 1019 89K-QE E 2.868 ambi=2 { CE:41.959 } ::sumAvg: 4.59 atom: 1028 90S-H N 8.801 ambi=1 { N:116.336 } atom: 1019 89K-QE E 2.868 ambi=2 { CE:41.959 } ::sumAvg: 4.785 atom: 1059 93K-H N 8.463 ambi=1 { N:123.651 } atom: 1030 90S-HB2 B 3.952 ambi=2 { CB:63.667 } :: atom: 1059 93K-H N 8.463 ambi=1 { N:123.651 } atom: 1031 90S-HB3 B 3.822 ambi=2 { CB:63.667 } ::sumAvg: 4.78 atom: 1045 92Q-H N 8.423 ambi=1 { N:122.268 } atom: 1051 92Q-HE21 E2 7.61 ambi=2 { NE2:112.702 } :: atom: 1045 92Q-H N 8.423 ambi=1 { N:122.268 } atom: 1052 92Q-HE22 E2 6.86 ambi=2 { NE2:112.702 } ::sumAvg: 4.58 atom: 1051 92Q-HE21 E2 7.61 ambi=2 { NE2:112.702 } atom: 1045 92Q-H N 8.423 ambi=1 { N:122.268 } :: atom: 1052 92Q-HE22 E2 6.86 ambi=2 { NE2:112.702 } atom: 1045 92Q-H N 8.423 ambi=1 { N:122.268 } ::sumAvg: 4.58 atom: 1059 93K-H N 8.463 ambi=1 { N:123.651 } atom: 1051 92Q-HE21 E2 7.61 ambi=2 { NE2:112.702 } :: atom: 1059 93K-H N 8.463 ambi=1 { N:123.651 } atom: 1052 92Q-HE22 E2 6.86 ambi=2 { NE2:112.702 } ::sumAvg: 4.565 atom: 1059 93K-H N 8.463 ambi=1 { N:123.651 } atom: 1067 93K-QE E 3 ambi=2 { CE:42.64 } ::sumAvg: 4.81 atom: 1092 96K-H N 8.35 ambi=1 { N:122.992 } atom: 1078 94D-HB2 B 2.714 ambi=2 { CB:41.312 } :: atom: 1092 96K-H N 8.35 ambi=1 { N:122.992 } atom: 1079 94D-HB3 B 2.613 ambi=2 { CB:41.312 } ::sumAvg: 4.455 atom: 1084 95S-H N 8.267 ambi=1 { N:116.507 } atom: 1098 96K-QD D 1.674 ambi=2 { CD:29.069 } ::sumAvg: 4.575 atom: 1109 97D-H N 8.405 ambi=1 { N:123.585 } atom: 1085 95S-HA A 4.413 ambi=1 { CA:58.431 } ::sumAvg: 4.93 atom: 1092 96K-H N 8.35 ambi=1 { N:122.992 } atom: 1100 96K-QE E 2.989 ambi=2 { CE:42.262 } ::sumAvg: 4.64 atom: 1109 97D-H N 8.405 ambi=1 { N:123.585 } atom: 1100 96K-QE E 2.989 ambi=2 { CE:42.262 } ::sumAvg: 4.43 atom: 1128 99D-H N 8.464 ambi=1 { N:119.955 } atom: 1110 97D-HA A 4.842 ambi=1 { CA:52.598 } ::sumAvg: 4.27 atom: 1136 100T-H N 7.973 ambi=1 { N:113.655 } atom: 1117 98P-HB2 B 2.284 ambi=2 { CB:32.197 } :: atom: 1136 100T-H N 7.973 ambi=1 { N:113.655 } atom: 1118 98P-HB3 B 1.954 ambi=2 { CB:32.197 } ::sumAvg: 4.495 atom: 1128 99D-H N 8.464 ambi=1 { N:119.955 } atom: 1139 100T-HG2 G2 1.204 ambi=1 { CG2:21.632 } ::sumAvg: 4.82 atom: 1136 100T-H N 7.973 ambi=1 { N:113.655 } atom: 1138 100T-HB B 4.326 ambi=1 { CB:69.838 } ::sumAvg: 3.22 atom: 1145 101D-H N 8.328 ambi=1 { N:122.434 } atom: 1138 100T-HB B 4.326 ambi=1 { CB:69.838 } ::sumAvg: 3.515 atom: 1153 102L-H N 7.995 ambi=1 { N:121.653 } atom: 1168 103I-HA A 4.136 ambi=1 { CA:61.024 } ::sumAvg: 4.985 atom: 1181 104V-H N 7.992 ambi=1 { N:123.79 } atom: 1155 102L-QB B 1.58 ambi=2 { CB:42.377 } ::sumAvg: 4.37 atom: 1181 104V-H N 7.992 ambi=1 { N:123.79 } atom: 1196 105P-HD2 D 3.7 ambi=2 { CD:51.051 } :: atom: 1181 104V-H N 7.992 ambi=1 { N:123.79 } atom: 1197 105P-HD3 D 3.857 ambi=2 { CD:51.051 } ::sumAvg: 4.005 atom: 1207 106N-HD21 D2 7.616 ambi=2 { ND2:112.852 } atom: 1184 104V-HG1 G1 0.885 ambi=2 { CG1:20.957 } :: atom: 1208 106N-HD22 D2 6.946 ambi=2 { ND2:112.852 } atom: 1184 104V-HG1 G1 0.885 ambi=2 { CG1:20.957 } :: atom: 1207 106N-HD21 D2 7.616 ambi=2 { ND2:112.852 } atom: 1185 104V-HG2 G2 0.911 ambi=2 { CG2:20.428 } :: atom: 1208 106N-HD22 D2 6.946 ambi=2 { ND2:112.852 } atom: 1185 104V-HG2 G2 0.911 ambi=2 { CG2:20.428 } ::sumAvg: 4.955 atom: 1214 107L-H N 8.258 ambi=1 { N:122.932 } atom: 1192 105P-HB2 B 2.255 ambi=2 { CB:32.197 } :: atom: 1214 107L-H N 8.258 ambi=1 { N:122.932 } atom: 1193 105P-HB3 B 1.843 ambi=2 { CB:32.197 } ::sumAvg: 4.62 atom: 1203 106N-H N 8.472 ambi=1 { N:118.499 } atom: 1194 105P-QG G 1.978 ambi=2 { CG:27.341 } ::sumAvg: 4.245 atom: 1203 106N-H N 8.472 ambi=1 { N:118.499 } atom: 1196 105P-HD2 D 3.7 ambi=2 { CD:51.051 } :: atom: 1203 106N-H N 8.472 ambi=1 { N:118.499 } atom: 1197 105P-HD3 D 3.857 ambi=2 { CD:51.051 } ::sumAvg: 4.615 atom: 1203 106N-H N 8.472 ambi=1 { N:118.499 } atom: 1207 106N-HD21 D2 7.616 ambi=2 { ND2:112.852 } :: atom: 1203 106N-H N 8.472 ambi=1 { N:118.499 } atom: 1208 106N-HD22 D2 6.946 ambi=2 { ND2:112.852 } ::sumAvg: 3.495 atom: 1203 106N-H N 8.472 ambi=1 { N:118.499 } atom: 1219 107L-HD1 D1 0.889 ambi=2 { CD1:24.961 } :: atom: 1203 106N-H N 8.472 ambi=1 { N:118.499 } atom: 1220 107L-HD2 D2 0.823 ambi=2 { CD2:23.392 } ::sumAvg: 4.64 atom: 1228 108E-H N 8.321 ambi=1 { N:120.766 } atom: 1204 106N-HA A 4.641 ambi=1 { CA:53.296 } ::sumAvg: 4.82 atom: 1228 108E-H N 8.321 ambi=1 { N:120.766 } atom: 1205 106N-HB2 B 2.801 ambi=2 { CB:38.659 } :: atom: 1228 108E-H N 8.321 ambi=1 { N:120.766 } atom: 1206 106N-HB3 B 2.767 ambi=2 { CB:38.659 } ::sumAvg: 4.76 atom: 1207 106N-HD21 D2 7.616 ambi=2 { ND2:112.852 } atom: 1214 107L-H N 8.258 ambi=1 { N:122.932 } :: atom: 1208 106N-HD22 D2 6.946 ambi=2 { ND2:112.852 } atom: 1214 107L-H N 8.258 ambi=1 { N:122.932 } ::sumAvg: 4.33 atom: 1214 107L-H N 8.258 ambi=1 { N:122.932 } atom: 1207 106N-HD21 D2 7.616 ambi=2 { ND2:112.852 } :: atom: 1214 107L-H N 8.258 ambi=1 { N:122.932 } atom: 1208 106N-HD22 D2 6.946 ambi=2 { ND2:112.852 } ::sumAvg: 4.33 atom: 1239 109H-H N 8.23 ambi=1 { N:119.324 } atom: 1216 107L-QB B 1.557 ambi=2 { CB:42.345 } ::sumAvg: 4.905 atom: 1239 109H-H N 8.23 ambi=1 { N:119.324 } atom: 1230 108E-QB B 1.879 ambi=2 { CB:30.076 } ::sumAvg: 2.855 atom: 1246 110H-H N 8.133 ambi=1 { N:125.416 } atom: 1230 108E-QB B 1.879 ambi=2 { CB:30.076 } ::sumAvg: 4.345 atom: 1239 109H-H N 8.23 ambi=1 { N:119.324 } atom: 1232 108E-HG2 G 2.201 ambi=2 { CG:36.249 } :: atom: 1239 109H-H N 8.23 ambi=1 { N:119.324 } atom: 1233 108E-HG3 G 2.124 ambi=2 { CG:36.249 } ::sumAvg: 3.875 atom: 1239 109H-H N 8.23 ambi=1 { N:119.324 } atom: 1247 110H-HA A 4.424 ambi=1 { CA:57.293 } ::sumAvg: 4.975 # Missing interactons for c_ali.peaks atom: 1 2K-HA A 4.372 ambi=1 { CA:56.443 } atom: 6 2K-QD D 1.683 ambi=2 { CD:29.146 } ::sumAvg: 3.08 atom: 1 2K-HA A 4.372 ambi=1 { CA:56.443 } atom: 8 2K-QE E 2.996 ambi=2 { CE:42.154 } ::sumAvg: 3.77 atom: 8 2K-QE E 2.996 ambi=2 { CE:42.154 } atom: 1 2K-HA A 4.372 ambi=1 { CA:56.443 } ::sumAvg: 3.77 atom: 1 2K-HA A 4.372 ambi=1 { CA:56.443 } atom: 17 3N-HA A 4.791 ambi=1 { CA:53.433 } ::sumAvg: 4.555 atom: 17 3N-HA A 4.791 ambi=1 { CA:53.433 } atom: 1 2K-HA A 4.372 ambi=1 { CA:56.443 } ::sumAvg: 4.555 atom: 1 2K-HA A 4.372 ambi=1 { CA:56.443 } atom: 27 4T-H N 8.317 ambi=1 { N:114.087 } ::sumAvg: 4.865 atom: 17 3N-HA A 4.791 ambi=1 { CA:53.433 } atom: 2 2K-HB2 B 1.839 ambi=2 { CB:33.232 } :: atom: 17 3N-HA A 4.791 ambi=1 { CA:53.433 } atom: 3 2K-HB3 B 1.756 ambi=2 { CB:33.232 } ::sumAvg: 4.855 atom: 8 2K-QE E 2.996 ambi=2 { CE:42.154 } atom: 16 3N-H N 8.716 ambi=1 { N:121.115 } ::sumAvg: 4.725 atom: 18 3N-HB2 B 2.875 ambi=2 { CB:38.855 } atom: 28 4T-HA A 4.343 ambi=1 { CA:62.153 } :: atom: 19 3N-HB3 B 2.797 ambi=2 { CB:38.855 } atom: 28 4T-HA A 4.343 ambi=1 { CA:62.153 } ::sumAvg: 4.96 atom: 28 4T-HA A 4.343 ambi=1 { CA:62.153 } atom: 18 3N-HB2 B 2.875 ambi=2 { CB:38.855 } :: atom: 28 4T-HA A 4.343 ambi=1 { CA:62.153 } atom: 19 3N-HB3 B 2.797 ambi=2 { CB:38.855 } ::sumAvg: 4.96 atom: 18 3N-HB2 B 2.875 ambi=2 { CB:38.855 } atom: 16 3N-H N 8.716 ambi=1 { N:121.115 } :: atom: 19 3N-HB3 B 2.797 ambi=2 { CB:38.855 } atom: 16 3N-H N 8.716 ambi=1 { N:121.115 } ::sumAvg: 2.65 atom: 17 3N-HA A 4.791 ambi=1 { CA:53.433 } atom: 16 3N-H N 8.716 ambi=1 { N:121.115 } ::sumAvg: 2.855 atom: 17 3N-HA A 4.791 ambi=1 { CA:53.433 } atom: 18 3N-HB2 B 2.875 ambi=2 { CB:38.855 } :: atom: 17 3N-HA A 4.791 ambi=1 { CA:53.433 } atom: 19 3N-HB3 B 2.797 ambi=2 { CB:38.855 } ::sumAvg: 2.49 atom: 17 3N-HA A 4.791 ambi=1 { CA:53.433 } atom: 30 4T-HG2 G2 1.2 ambi=1 { CG2:21.58 } ::sumAvg: 4.77 atom: 30 4T-HG2 G2 1.2 ambi=1 { CG2:21.58 } atom: 17 3N-HA A 4.791 ambi=1 { CA:53.433 } ::sumAvg: 4.77 atom: 17 3N-HA A 4.791 ambi=1 { CA:53.433 } atom: 20 3N-HD21 D2 7.681 ambi=2 { ND2:113.089 } :: atom: 17 3N-HA A 4.791 ambi=1 { CA:53.433 } atom: 21 3N-HD22 D2 6.938 ambi=2 { ND2:113.089 } ::sumAvg: 2.79 atom: 17 3N-HA A 4.791 ambi=1 { CA:53.433 } atom: 27 4T-H N 8.317 ambi=1 { N:114.087 } ::sumAvg: 2.665 atom: 17 3N-HA A 4.791 ambi=1 { CA:53.433 } atom: 28 4T-HA A 4.343 ambi=1 { CA:62.153 } ::sumAvg: 4.54 atom: 30 4T-HG2 G2 1.2 ambi=1 { CG2:21.58 } atom: 44 6D-HB2 B 2.647 ambi=2 { CB:41.695 } :: atom: 30 4T-HG2 G2 1.2 ambi=1 { CG2:21.58 } atom: 45 6D-HB3 B 2.569 ambi=2 { CB:41.695 } ::sumAvg: 4.85 atom: 44 6D-HB2 B 2.647 ambi=2 { CB:41.695 } atom: 30 4T-HG2 G2 1.2 ambi=1 { CG2:21.58 } :: atom: 45 6D-HB3 B 2.569 ambi=2 { CB:41.695 } atom: 30 4T-HG2 G2 1.2 ambi=1 { CG2:21.58 } ::sumAvg: 4.85 atom: 30 4T-HG2 G2 1.2 ambi=1 { CG2:21.58 } atom: 37 5G-QA A 4.01 ambi=2 { CA:45.216 } ::sumAvg: 4.26 atom: 37 5G-QA A 4.01 ambi=2 { CA:45.216 } atom: 30 4T-HG2 G2 1.2 ambi=1 { CG2:21.58 } ::sumAvg: 4.26 atom: 28 4T-HA A 4.343 ambi=1 { CA:62.153 } atom: 27 4T-H N 8.317 ambi=1 { N:114.087 } ::sumAvg: 2.865 atom: 37 5G-QA A 4.01 ambi=2 { CA:45.216 } atom: 27 4T-H N 8.317 ambi=1 { N:114.087 } ::sumAvg: 4.835 atom: 28 4T-HA A 4.343 ambi=1 { CA:62.153 } atom: 42 6D-H N 8.198 ambi=1 { N:120.242 } ::sumAvg: 4.1 atom: 29 4T-HB B 4.248 ambi=1 { CB:69.807 } atom: 30 4T-HG2 G2 1.2 ambi=1 { CG2:21.58 } ::sumAvg: 2.13 atom: 29 4T-HB B 4.248 ambi=1 { CB:69.807 } atom: 36 5G-H N 8.469 ambi=1 { N:111.153 } ::sumAvg: 3.51 atom: 29 4T-HB B 4.248 ambi=1 { CB:69.807 } atom: 42 6D-H N 8.198 ambi=1 { N:120.242 } ::sumAvg: 4.68 atom: 29 4T-HB B 4.248 ambi=1 { CB:69.807 } atom: 268 25T-HG2 G2 1.406 ambi=1 { CG2:22.733 } ::sumAvg: 4.86 atom: 51 7E-HA A 4.683 ambi=1 { CA:56.192 } atom: 44 6D-HB2 B 2.647 ambi=2 { CB:41.695 } :: atom: 51 7E-HA A 4.683 ambi=1 { CA:56.192 } atom: 45 6D-HB3 B 2.569 ambi=2 { CB:41.695 } ::sumAvg: 4.88 atom: 64 8V-HG1 G1 0.776 ambi=2 { CG1:22.337 } atom: 44 6D-HB2 B 2.647 ambi=2 { CB:41.695 } :: atom: 65 8V-HG2 G2 0.831 ambi=2 { CG2:19.645 } atom: 44 6D-HB2 B 2.647 ambi=2 { CB:41.695 } :: atom: 64 8V-HG1 G1 0.776 ambi=2 { CG1:22.337 } atom: 45 6D-HB3 B 2.569 ambi=2 { CB:41.695 } :: atom: 65 8V-HG2 G2 0.831 ambi=2 { CG2:19.645 } atom: 45 6D-HB3 B 2.569 ambi=2 { CB:41.695 } ::sumAvg: 3.475 atom: 44 6D-HB2 B 2.647 ambi=2 { CB:41.695 } atom: 268 25T-HG2 G2 1.406 ambi=1 { CG2:22.733 } :: atom: 45 6D-HB3 B 2.569 ambi=2 { CB:41.695 } atom: 268 25T-HG2 G2 1.406 ambi=1 { CG2:22.733 } ::sumAvg: 4.82 atom: 37 5G-QA A 4.01 ambi=2 { CA:45.216 } atom: 44 6D-HB2 B 2.647 ambi=2 { CB:41.695 } :: atom: 37 5G-QA A 4.01 ambi=2 { CA:45.216 } atom: 45 6D-HB3 B 2.569 ambi=2 { CB:41.695 } ::sumAvg: 4.58 atom: 44 6D-HB2 B 2.647 ambi=2 { CB:41.695 } atom: 37 5G-QA A 4.01 ambi=2 { CA:45.216 } :: atom: 45 6D-HB3 B 2.569 ambi=2 { CB:41.695 } atom: 37 5G-QA A 4.01 ambi=2 { CA:45.216 } ::sumAvg: 4.58 atom: 37 5G-QA A 4.01 ambi=2 { CA:45.216 } atom: 268 25T-HG2 G2 1.406 ambi=1 { CG2:22.733 } ::sumAvg: 4.37 atom: 51 7E-HA A 4.683 ambi=1 { CA:56.192 } atom: 42 6D-H N 8.198 ambi=1 { N:120.242 } ::sumAvg: 4.97 atom: 54 7E-HG2 G 2.227 ambi=2 { CG:36.879 } atom: 42 6D-H N 8.198 ambi=1 { N:120.242 } :: atom: 55 7E-HG3 G 2.184 ambi=2 { CG:36.879 } atom: 42 6D-H N 8.198 ambi=1 { N:120.242 } ::sumAvg: 4.75 atom: 268 25T-HG2 G2 1.406 ambi=1 { CG2:22.733 } atom: 42 6D-H N 8.198 ambi=1 { N:120.242 } ::sumAvg: 3.995 atom: 43 6D-HA A 4.688 ambi=1 { CA:54.132 } atom: 52 7E-HB2 B 2.05 ambi=2 { CB:31.521 } :: atom: 43 6D-HA A 4.688 ambi=1 { CA:54.132 } atom: 53 7E-HB3 B 1.952 ambi=2 { CB:31.521 } ::sumAvg: 4.77 atom: 43 6D-HA A 4.688 ambi=1 { CA:54.132 } atom: 54 7E-HG2 G 2.227 ambi=2 { CG:36.879 } :: atom: 43 6D-HA A 4.688 ambi=1 { CA:54.132 } atom: 55 7E-HG3 G 2.184 ambi=2 { CG:36.879 } ::sumAvg: 4.29 atom: 43 6D-HA A 4.688 ambi=1 { CA:54.132 } atom: 1049 92Q-QG G 2.362 ambi=2 { CG:33.905 } ::sumAvg: 4.395 atom: 1049 92Q-QG G 2.362 ambi=2 { CG:33.905 } atom: 43 6D-HA A 4.688 ambi=1 { CA:54.132 } ::sumAvg: 4.395 atom: 51 7E-HA A 4.683 ambi=1 { CA:56.192 } atom: 62 8V-HA A 5.305 ambi=1 { CA:59.279 } ::sumAvg: 4.42 atom: 62 8V-HA A 5.305 ambi=1 { CA:59.279 } atom: 51 7E-HA A 4.683 ambi=1 { CA:56.192 } ::sumAvg: 4.42 atom: 51 7E-HA A 4.683 ambi=1 { CA:56.192 } atom: 1039 91T-HG2 G2 1.123 ambi=1 { CG2:22.102 } ::sumAvg: 4.315 atom: 52 7E-HB2 B 2.05 ambi=2 { CB:31.521 } atom: 62 8V-HA A 5.305 ambi=1 { CA:59.279 } :: atom: 53 7E-HB3 B 1.952 ambi=2 { CB:31.521 } atom: 62 8V-HA A 5.305 ambi=1 { CA:59.279 } ::sumAvg: 4.695 atom: 52 7E-HB2 B 2.05 ambi=2 { CB:31.521 } atom: 1036 91T-H N 8.562 ambi=1 { N:117.74 } :: atom: 53 7E-HB3 B 1.952 ambi=2 { CB:31.521 } atom: 1036 91T-H N 8.562 ambi=1 { N:117.74 } ::sumAvg: 3.685 atom: 52 7E-HB2 B 2.05 ambi=2 { CB:31.521 } atom: 1038 91T-HB B 4.258 ambi=1 { CB:69.431 } :: atom: 53 7E-HB3 B 1.952 ambi=2 { CB:31.521 } atom: 1038 91T-HB B 4.258 ambi=1 { CB:69.431 } ::sumAvg: 4.445 atom: 1038 91T-HB B 4.258 ambi=1 { CB:69.431 } atom: 52 7E-HB2 B 2.05 ambi=2 { CB:31.521 } :: atom: 1038 91T-HB B 4.258 ambi=1 { CB:69.431 } atom: 53 7E-HB3 B 1.952 ambi=2 { CB:31.521 } ::sumAvg: 4.445 atom: 52 7E-HB2 B 2.05 ambi=2 { CB:31.521 } atom: 1045 92Q-H N 8.423 ambi=1 { N:122.268 } :: atom: 53 7E-HB3 B 1.952 ambi=2 { CB:31.521 } atom: 1045 92Q-H N 8.423 ambi=1 { N:122.268 } ::sumAvg: 4.265 atom: 53 7E-HB3 B 1.952 ambi=2 { CB:31.521 } atom: 1049 92Q-QG G 2.362 ambi=2 { CG:33.905 } ::sumAvg: 4.07 atom: 1039 91T-HG2 G2 1.123 ambi=1 { CG2:22.102 } atom: 50 7E-H N 8.484 ambi=1 { N:122.312 } ::sumAvg: 4.965 atom: 64 8V-HG1 G1 0.776 ambi=2 { CG1:22.337 } atom: 252 24L-HA A 4.345 ambi=1 { CA:55.62 } :: atom: 65 8V-HG2 G2 0.831 ambi=2 { CG2:19.645 } atom: 252 24L-HA A 4.345 ambi=1 { CA:55.62 } ::sumAvg: 4.685 atom: 266 25T-HA A 3.994 ambi=1 { CA:65.305 } atom: 64 8V-HG1 G1 0.776 ambi=2 { CG1:22.337 } :: atom: 266 25T-HA A 3.994 ambi=1 { CA:65.305 } atom: 65 8V-HG2 G2 0.831 ambi=2 { CG2:19.645 } ::sumAvg: 4.2 atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } atom: 64 8V-HG1 G1 0.776 ambi=2 { CG1:22.337 } :: atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } atom: 64 8V-HG1 G1 0.776 ambi=2 { CG1:22.337 } :: atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } atom: 65 8V-HG2 G2 0.831 ambi=2 { CG2:19.645 } :: atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } atom: 65 8V-HG2 G2 0.831 ambi=2 { CG2:19.645 } ::sumAvg: 4.42 atom: 64 8V-HG1 G1 0.776 ambi=2 { CG1:22.337 } atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } :: atom: 65 8V-HG2 G2 0.831 ambi=2 { CG2:19.645 } atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } ::sumAvg: 4.93 atom: 64 8V-HG1 G1 0.776 ambi=2 { CG1:22.337 } atom: 805 71S-HA A 4.597 ambi=1 { CA:59.886 } :: atom: 65 8V-HG2 G2 0.831 ambi=2 { CG2:19.645 } atom: 805 71S-HA A 4.597 ambi=1 { CA:59.886 } ::sumAvg: 3.57 atom: 64 8V-HG1 G1 0.776 ambi=2 { CG1:22.337 } atom: 814 72K-QB B 1.784 ambi=2 { CB:34.865 } :: atom: 65 8V-HG2 G2 0.831 ambi=2 { CG2:19.645 } atom: 814 72K-QB B 1.784 ambi=2 { CB:34.865 } ::sumAvg: 4.33 atom: 64 8V-HG1 G1 0.776 ambi=2 { CG1:22.337 } atom: 818 72K-QD D 1.711 ambi=2 { CD:29.046 } :: atom: 65 8V-HG2 G2 0.831 ambi=2 { CG2:19.645 } atom: 818 72K-QD D 1.711 ambi=2 { CD:29.046 } ::sumAvg: 4.64 atom: 818 72K-QD D 1.711 ambi=2 { CD:29.046 } atom: 64 8V-HG1 G1 0.776 ambi=2 { CG1:22.337 } :: atom: 818 72K-QD D 1.711 ambi=2 { CD:29.046 } atom: 65 8V-HG2 G2 0.831 ambi=2 { CG2:19.645 } ::sumAvg: 4.64 atom: 64 8V-HG1 G1 0.776 ambi=2 { CG1:22.337 } atom: 820 72K-QE E 3.048 ambi=2 { CE:42.353 } :: atom: 65 8V-HG2 G2 0.831 ambi=2 { CG2:19.645 } atom: 820 72K-QE E 3.048 ambi=2 { CE:42.353 } ::sumAvg: 4.76 atom: 820 72K-QE E 3.048 ambi=2 { CE:42.353 } atom: 64 8V-HG1 G1 0.776 ambi=2 { CG1:22.337 } :: atom: 820 72K-QE E 3.048 ambi=2 { CE:42.353 } atom: 65 8V-HG2 G2 0.831 ambi=2 { CG2:19.645 } ::sumAvg: 4.76 atom: 64 8V-HG1 G1 0.776 ambi=2 { CG1:22.337 } atom: 1000 88I-HG12 G1 1.247 ambi=2 { CG1:28.239 } :: atom: 65 8V-HG2 G2 0.831 ambi=2 { CG2:19.645 } atom: 1000 88I-HG12 G1 1.247 ambi=2 { CG1:28.239 } ::sumAvg: 4.99 atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } atom: 61 8V-H N 8.859 ambi=1 { N:115.566 } :: atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } atom: 61 8V-H N 8.859 ambi=1 { N:115.566 } ::sumAvg: 3.97 atom: 1029 90S-HA A 5.08 ambi=1 { CA:58.039 } atom: 61 8V-H N 8.859 ambi=1 { N:115.566 } ::sumAvg: 4.64 atom: 62 8V-HA A 5.305 ambi=1 { CA:59.279 } atom: 73 9V-HA A 4.685 ambi=1 { CA:59.269 } ::sumAvg: 4.46 atom: 831 73A-HB B 1.371 ambi=1 { CB:17.746 } atom: 62 8V-HA A 5.305 ambi=1 { CA:59.279 } ::sumAvg: 4.325 atom: 62 8V-HA A 5.305 ambi=1 { CA:59.279 } atom: 1028 90S-H N 8.801 ambi=1 { N:116.336 } ::sumAvg: 4.575 atom: 1030 90S-HB2 B 3.952 ambi=2 { CB:63.667 } atom: 62 8V-HA A 5.305 ambi=1 { CA:59.279 } :: atom: 1031 90S-HB3 B 3.822 ambi=2 { CB:63.667 } atom: 62 8V-HA A 5.305 ambi=1 { CA:59.279 } ::sumAvg: 4.09 atom: 63 8V-HB B 1.869 ambi=1 { CB:35.441 } atom: 73 9V-HA A 4.685 ambi=1 { CA:59.269 } ::sumAvg: 4.485 atom: 73 9V-HA A 4.685 ambi=1 { CA:59.269 } atom: 63 8V-HB B 1.869 ambi=1 { CB:35.441 } ::sumAvg: 4.485 atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } atom: 63 8V-HB B 1.869 ambi=1 { CB:35.441 } ::sumAvg: 4.315 atom: 63 8V-HB B 1.869 ambi=1 { CB:35.441 } atom: 256 24L-HD1 D1 0.74 ambi=2 { CD1:25.885 } :: atom: 63 8V-HB B 1.869 ambi=1 { CB:35.441 } atom: 257 24L-HD2 D2 0.49 ambi=2 { CD2:22.938 } ::sumAvg: 3.59 atom: 63 8V-HB B 1.869 ambi=1 { CB:35.441 } atom: 813 72K-HA A 4.71 ambi=1 { CA:54.446 } ::sumAvg: 4.905 atom: 63 8V-HB B 1.869 ambi=1 { CB:35.441 } atom: 830 73A-HA A 3.685 ambi=1 { CA:53.946 } ::sumAvg: 3.9 atom: 63 8V-HB B 1.869 ambi=1 { CB:35.441 } atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } ::sumAvg: 4.59 atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } atom: 63 8V-HB B 1.869 ambi=1 { CB:35.441 } ::sumAvg: 4.59 atom: 63 8V-HB B 1.869 ambi=1 { CB:35.441 } atom: 1012 89K-HA A 4.933 ambi=1 { CA:54.502 } ::sumAvg: 4.715 atom: 63 8V-HB B 1.869 ambi=1 { CB:35.441 } atom: 1030 90S-HB2 B 3.952 ambi=2 { CB:63.667 } :: atom: 63 8V-HB B 1.869 ambi=1 { CB:35.441 } atom: 1031 90S-HB3 B 3.822 ambi=2 { CB:63.667 } ::sumAvg: 4.93 atom: 1030 90S-HB2 B 3.952 ambi=2 { CB:63.667 } atom: 63 8V-HB B 1.869 ambi=1 { CB:35.441 } :: atom: 1031 90S-HB3 B 3.822 ambi=2 { CB:63.667 } atom: 63 8V-HB B 1.869 ambi=1 { CB:35.441 } ::sumAvg: 4.93 atom: 75 9V-HG1 G1 0.781 ambi=2 { CG1:20.436 } atom: 265 25T-H N 7.333 ambi=1 { N:115.493 } :: atom: 76 9V-HG2 G2 0.767 ambi=2 { CG2:20.681 } atom: 265 25T-H N 7.333 ambi=1 { N:115.493 } ::sumAvg: 4.37 atom: 75 9V-HG1 G1 0.781 ambi=2 { CG1:20.436 } atom: 998 88I-HA A 5.035 ambi=1 { CA:60.133 } :: atom: 76 9V-HG2 G2 0.767 ambi=2 { CG2:20.681 } atom: 998 88I-HA A 5.035 ambi=1 { CA:60.133 } ::sumAvg: 4.175 atom: 75 9V-HG1 G1 0.781 ambi=2 { CG1:20.436 } atom: 1028 90S-H N 8.801 ambi=1 { N:116.336 } :: atom: 76 9V-HG2 G2 0.767 ambi=2 { CG2:20.681 } atom: 1028 90S-H N 8.801 ambi=1 { N:116.336 } ::sumAvg: 4.695 atom: 75 9V-HG1 G1 0.781 ambi=2 { CG1:20.436 } atom: 1036 91T-H N 8.562 ambi=1 { N:117.74 } :: atom: 76 9V-HG2 G2 0.767 ambi=2 { CG2:20.681 } atom: 1036 91T-H N 8.562 ambi=1 { N:117.74 } ::sumAvg: 4.015 atom: 84 10A-HA A 4.916 ambi=1 { CA:50.208 } atom: 72 9V-H N 9.114 ambi=1 { N:121.967 } ::sumAvg: 4.885 atom: 255 24L-HG G 1.669 ambi=1 { CG:26.232 } atom: 72 9V-H N 9.114 ambi=1 { N:121.967 } ::sumAvg: 4.945 atom: 256 24L-HD1 D1 0.74 ambi=2 { CD1:25.885 } atom: 72 9V-H N 9.114 ambi=1 { N:121.967 } :: atom: 257 24L-HD2 D2 0.49 ambi=2 { CD2:22.938 } atom: 72 9V-H N 9.114 ambi=1 { N:121.967 } ::sumAvg: 4.505 atom: 998 88I-HA A 5.035 ambi=1 { CA:60.133 } atom: 72 9V-H N 9.114 ambi=1 { N:121.967 } ::sumAvg: 4.455 atom: 1039 91T-HG2 G2 1.123 ambi=1 { CG2:22.102 } atom: 72 9V-H N 9.114 ambi=1 { N:121.967 } ::sumAvg: 3.915 atom: 73 9V-HA A 4.685 ambi=1 { CA:59.269 } atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } ::sumAvg: 4.825 atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } atom: 73 9V-HA A 4.685 ambi=1 { CA:59.269 } ::sumAvg: 4.825 atom: 73 9V-HA A 4.685 ambi=1 { CA:59.269 } atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } :: atom: 73 9V-HA A 4.685 ambi=1 { CA:59.269 } atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } ::sumAvg: 3.695 atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } atom: 73 9V-HA A 4.685 ambi=1 { CA:59.269 } :: atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } atom: 73 9V-HA A 4.685 ambi=1 { CA:59.269 } ::sumAvg: 3.695 atom: 74 9V-HB B 1.798 ambi=1 { CB:36.043 } atom: 84 10A-HA A 4.916 ambi=1 { CA:50.208 } ::sumAvg: 4.755 atom: 84 10A-HA A 4.916 ambi=1 { CA:50.208 } atom: 74 9V-HB B 1.798 ambi=1 { CB:36.043 } ::sumAvg: 4.755 atom: 85 10A-HB B 1.118 ambi=1 { CB:19.912 } atom: 74 9V-HB B 1.798 ambi=1 { CB:36.043 } ::sumAvg: 4.635 atom: 74 9V-HB B 1.798 ambi=1 { CB:36.043 } atom: 94 11I-HG13 G1 1.183 ambi=2 { CG1:27.277 } ::sumAvg: 4.675 atom: 96 11I-HD1 D1 0.779 ambi=1 { CD1:13 } atom: 74 9V-HB B 1.798 ambi=1 { CB:36.043 } ::sumAvg: 3.24 atom: 74 9V-HB B 1.798 ambi=1 { CB:36.043 } atom: 226 22I-H N 9.366 ambi=1 { N:124.604 } ::sumAvg: 4.355 atom: 74 9V-HB B 1.798 ambi=1 { CB:36.043 } atom: 240 23P-HB2 B 2.391 ambi=2 { CB:31.306 } ::sumAvg: 4.45 atom: 240 23P-HB2 B 2.391 ambi=2 { CB:31.306 } atom: 74 9V-HB B 1.798 ambi=1 { CB:36.043 } ::sumAvg: 4.45 atom: 74 9V-HB B 1.798 ambi=1 { CB:36.043 } atom: 244 23P-HD2 D 3.878 ambi=2 { CD:51.472 } :: atom: 74 9V-HB B 1.798 ambi=1 { CB:36.043 } atom: 245 23P-HD3 D 3.818 ambi=2 { CD:51.472 } ::sumAvg: 4.755 atom: 96 11I-HD1 D1 0.779 ambi=1 { CD1:13 } atom: 83 10A-H N 8.902 ambi=1 { N:126.115 } ::sumAvg: 4.2 atom: 110 12I-HD1 D1 0.872 ambi=1 { CD1:15.014 } atom: 83 10A-H N 8.902 ambi=1 { N:126.115 } ::sumAvg: 4.625 atom: 227 22I-HA A 4.602 ambi=1 { CA:57.976 } atom: 83 10A-H N 8.902 ambi=1 { N:126.115 } ::sumAvg: 4.88 atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } atom: 83 10A-H N 8.902 ambi=1 { N:126.115 } :: atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } atom: 83 10A-H N 8.902 ambi=1 { N:126.115 } ::sumAvg: 4.745 atom: 998 88I-HA A 5.035 ambi=1 { CA:60.133 } atom: 83 10A-H N 8.902 ambi=1 { N:126.115 } ::sumAvg: 4.77 atom: 1000 88I-HG12 G1 1.247 ambi=2 { CG1:28.239 } atom: 83 10A-H N 8.902 ambi=1 { N:126.115 } :: atom: 1001 88I-HG13 G1 0.732 ambi=2 { CG1:28.239 } atom: 83 10A-H N 8.902 ambi=1 { N:126.115 } ::sumAvg: 4.695 atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } atom: 83 10A-H N 8.902 ambi=1 { N:126.115 } ::sumAvg: 4.19 atom: 84 10A-HA A 4.916 ambi=1 { CA:50.208 } atom: 91 11I-HA A 4.443 ambi=1 { CA:60.773 } ::sumAvg: 4.43 atom: 91 11I-HA A 4.443 ambi=1 { CA:60.773 } atom: 84 10A-HA A 4.916 ambi=1 { CA:50.208 } ::sumAvg: 4.43 atom: 84 10A-HA A 4.916 ambi=1 { CA:50.208 } atom: 92 11I-HB B 2.045 ambi=1 { CB:38.268 } ::sumAvg: 4.76 atom: 84 10A-HA A 4.916 ambi=1 { CA:50.208 } atom: 93 11I-HG12 G1 1.468 ambi=2 { CG1:27.277 } :: atom: 84 10A-HA A 4.916 ambi=1 { CA:50.208 } atom: 94 11I-HG13 G1 1.183 ambi=2 { CG1:27.277 } ::sumAvg: 3.75 atom: 96 11I-HD1 D1 0.779 ambi=1 { CD1:13 } atom: 84 10A-HA A 4.916 ambi=1 { CA:50.208 } ::sumAvg: 4.21 atom: 84 10A-HA A 4.916 ambi=1 { CA:50.208 } atom: 110 12I-HD1 D1 0.872 ambi=1 { CD1:15.014 } ::sumAvg: 4.135 atom: 110 12I-HD1 D1 0.872 ambi=1 { CD1:15.014 } atom: 84 10A-HA A 4.916 ambi=1 { CA:50.208 } ::sumAvg: 4.135 atom: 84 10A-HA A 4.916 ambi=1 { CA:50.208 } atom: 255 24L-HG G 1.669 ambi=1 { CG:26.232 } ::sumAvg: 4.315 atom: 255 24L-HG G 1.669 ambi=1 { CG:26.232 } atom: 84 10A-HA A 4.916 ambi=1 { CA:50.208 } ::sumAvg: 4.315 atom: 579 52I-HD1 D1 0.632 ambi=1 { CD1:15.05 } atom: 84 10A-HA A 4.916 ambi=1 { CA:50.208 } ::sumAvg: 4.815 atom: 84 10A-HA A 4.916 ambi=1 { CA:50.208 } atom: 986 87E-H N 8.687 ambi=1 { N:125.169 } ::sumAvg: 4.89 atom: 84 10A-HA A 4.916 ambi=1 { CA:50.208 } atom: 997 88I-H N 8.406 ambi=1 { N:125.218 } ::sumAvg: 4.73 atom: 84 10A-HA A 4.916 ambi=1 { CA:50.208 } atom: 999 88I-HB B 2.054 ambi=1 { CB:36.074 } ::sumAvg: 4.775 atom: 84 10A-HA A 4.916 ambi=1 { CA:50.208 } atom: 1015 89K-HG2 G 1.345 ambi=2 { CG:24.626 } :: atom: 84 10A-HA A 4.916 ambi=1 { CA:50.208 } atom: 1016 89K-HG3 G 1.294 ambi=2 { CG:24.626 } ::sumAvg: 4.88 atom: 85 10A-HB B 1.118 ambi=1 { CB:19.912 } atom: 216 21E-HA A 5.123 ambi=1 { CA:55.166 } ::sumAvg: 4.43 atom: 216 21E-HA A 5.123 ambi=1 { CA:55.166 } atom: 85 10A-HB B 1.118 ambi=1 { CB:19.912 } ::sumAvg: 4.43 atom: 85 10A-HB B 1.118 ambi=1 { CB:19.912 } atom: 227 22I-HA A 4.602 ambi=1 { CA:57.976 } ::sumAvg: 4.85 atom: 227 22I-HA A 4.602 ambi=1 { CA:57.976 } atom: 85 10A-HB B 1.118 ambi=1 { CB:19.912 } ::sumAvg: 4.85 atom: 85 10A-HB B 1.118 ambi=1 { CB:19.912 } atom: 252 24L-HA A 4.345 ambi=1 { CA:55.62 } ::sumAvg: 4.945 atom: 252 24L-HA A 4.345 ambi=1 { CA:55.62 } atom: 85 10A-HB B 1.118 ambi=1 { CB:19.912 } ::sumAvg: 4.945 atom: 85 10A-HB B 1.118 ambi=1 { CB:19.912 } atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } ::sumAvg: 4.67 atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } atom: 85 10A-HB B 1.118 ambi=1 { CB:19.912 } ::sumAvg: 4.67 atom: 85 10A-HB B 1.118 ambi=1 { CB:19.912 } atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } ::sumAvg: 4.615 atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } atom: 85 10A-HB B 1.118 ambi=1 { CB:19.912 } ::sumAvg: 3.815 atom: 85 10A-HB B 1.118 ambi=1 { CB:19.912 } atom: 986 87E-H N 8.687 ambi=1 { N:125.169 } ::sumAvg: 4.955 atom: 976 86V-HA A 4.883 ambi=1 { CA:60.132 } atom: 90 11I-H N 9.392 ambi=1 { N:125.088 } ::sumAvg: 4.85 atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } atom: 90 11I-H N 9.392 ambi=1 { N:125.088 } ::sumAvg: 4.81 atom: 988 87E-HB2 B 1.928 ambi=2 { CB:33.516 } atom: 90 11I-H N 9.392 ambi=1 { N:125.088 } :: atom: 989 87E-HB3 B 1.85 ambi=2 { CB:33.516 } atom: 90 11I-H N 9.392 ambi=1 { N:125.088 } ::sumAvg: 4.665 atom: 1000 88I-HG12 G1 1.247 ambi=2 { CG1:28.239 } atom: 90 11I-H N 9.392 ambi=1 { N:125.088 } :: atom: 1001 88I-HG13 G1 0.732 ambi=2 { CG1:28.239 } atom: 90 11I-H N 9.392 ambi=1 { N:125.088 } ::sumAvg: 4.125 atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } atom: 90 11I-H N 9.392 ambi=1 { N:125.088 } ::sumAvg: 4.705 atom: 1015 89K-HG2 G 1.345 ambi=2 { CG:24.626 } atom: 90 11I-H N 9.392 ambi=1 { N:125.088 } :: atom: 1016 89K-HG3 G 1.294 ambi=2 { CG:24.626 } atom: 90 11I-H N 9.392 ambi=1 { N:125.088 } ::sumAvg: 4.485 atom: 106 12I-HB B 2.011 ambi=1 { CB:38.824 } atom: 91 11I-HA A 4.443 ambi=1 { CA:60.773 } ::sumAvg: 4.685 atom: 91 11I-HA A 4.443 ambi=1 { CA:60.773 } atom: 978 86V-HG1 G1 0.617 ambi=2 { CG1:20.486 } :: atom: 91 11I-HA A 4.443 ambi=1 { CA:60.773 } atom: 979 86V-HG2 G2 0.679 ambi=2 { CG2:20.698 } ::sumAvg: 4.405 atom: 978 86V-HG1 G1 0.617 ambi=2 { CG1:20.486 } atom: 91 11I-HA A 4.443 ambi=1 { CA:60.773 } :: atom: 979 86V-HG2 G2 0.679 ambi=2 { CG2:20.698 } atom: 91 11I-HA A 4.443 ambi=1 { CA:60.773 } ::sumAvg: 4.405 atom: 91 11I-HA A 4.443 ambi=1 { CA:60.773 } atom: 986 87E-H N 8.687 ambi=1 { N:125.169 } ::sumAvg: 4.825 atom: 92 11I-HB B 2.045 ambi=1 { CB:38.268 } atom: 104 12I-H N 9.146 ambi=1 { N:129.268 } ::sumAvg: 4.15 atom: 92 11I-HB B 2.045 ambi=1 { CB:38.268 } atom: 105 12I-HA A 4.839 ambi=1 { CA:60.97 } ::sumAvg: 4.75 atom: 976 86V-HA A 4.883 ambi=1 { CA:60.132 } atom: 92 11I-HB B 2.045 ambi=1 { CB:38.268 } ::sumAvg: 4.5 atom: 92 11I-HB B 2.045 ambi=1 { CB:38.268 } atom: 978 86V-HG1 G1 0.617 ambi=2 { CG1:20.486 } :: atom: 92 11I-HB B 2.045 ambi=1 { CB:38.268 } atom: 979 86V-HG2 G2 0.679 ambi=2 { CG2:20.698 } ::sumAvg: 4.5 atom: 92 11I-HB B 2.045 ambi=1 { CB:38.268 } atom: 1015 89K-HG2 G 1.345 ambi=2 { CG:24.626 } :: atom: 92 11I-HB B 2.045 ambi=1 { CB:38.268 } atom: 1016 89K-HG3 G 1.294 ambi=2 { CG:24.626 } ::sumAvg: 4.805 atom: 1015 89K-HG2 G 1.345 ambi=2 { CG:24.626 } atom: 92 11I-HB B 2.045 ambi=1 { CB:38.268 } :: atom: 1016 89K-HG3 G 1.294 ambi=2 { CG:24.626 } atom: 92 11I-HB B 2.045 ambi=1 { CB:38.268 } ::sumAvg: 4.805 atom: 92 11I-HB B 2.045 ambi=1 { CB:38.268 } atom: 1017 89K-QD D 1.598 ambi=2 { CD:29.295 } ::sumAvg: 4.42 atom: 1017 89K-QD D 1.598 ambi=2 { CD:29.295 } atom: 92 11I-HB B 2.045 ambi=1 { CB:38.268 } ::sumAvg: 4.42 atom: 217 21E-HB2 B 1.861 ambi=2 { CB:31.761 } atom: 94 11I-HG13 G1 1.183 ambi=2 { CG1:27.277 } :: atom: 218 21E-HB3 B 1.735 ambi=2 { CB:31.761 } atom: 94 11I-HG13 G1 1.183 ambi=2 { CG1:27.277 } ::sumAvg: 4.99 atom: 93 11I-HG12 G1 1.468 ambi=2 { CG1:27.277 } atom: 986 87E-H N 8.687 ambi=1 { N:125.169 } :: atom: 94 11I-HG13 G1 1.183 ambi=2 { CG1:27.277 } atom: 986 87E-H N 8.687 ambi=1 { N:125.169 } ::sumAvg: 4.8 atom: 990 87E-HG2 G 2.064 ambi=2 { CG:36.39 } atom: 93 11I-HG12 G1 1.468 ambi=2 { CG1:27.277 } :: atom: 991 87E-HG3 G 1.948 ambi=2 { CG:36.39 } atom: 93 11I-HG12 G1 1.468 ambi=2 { CG1:27.277 } :: atom: 990 87E-HG2 G 2.064 ambi=2 { CG:36.39 } atom: 94 11I-HG13 G1 1.183 ambi=2 { CG1:27.277 } :: atom: 991 87E-HG3 G 1.948 ambi=2 { CG:36.39 } atom: 94 11I-HG13 G1 1.183 ambi=2 { CG1:27.277 } ::sumAvg: 3.78 atom: 93 11I-HG12 G1 1.468 ambi=2 { CG1:27.277 } atom: 998 88I-HA A 5.035 ambi=1 { CA:60.133 } :: atom: 94 11I-HG13 G1 1.183 ambi=2 { CG1:27.277 } atom: 998 88I-HA A 5.035 ambi=1 { CA:60.133 } ::sumAvg: 3.94 atom: 998 88I-HA A 5.035 ambi=1 { CA:60.133 } atom: 93 11I-HG12 G1 1.468 ambi=2 { CG1:27.277 } :: atom: 998 88I-HA A 5.035 ambi=1 { CA:60.133 } atom: 94 11I-HG13 G1 1.183 ambi=2 { CG1:27.277 } ::sumAvg: 3.94 atom: 1013 89K-HB2 B 1.859 ambi=2 { CB:36.775 } atom: 94 11I-HG13 G1 1.183 ambi=2 { CG1:27.277 } ::sumAvg: 4.395 atom: 94 11I-HG13 G1 1.183 ambi=2 { CG1:27.277 } atom: 1017 89K-QD D 1.598 ambi=2 { CD:29.295 } ::sumAvg: 2.685 atom: 1017 89K-QD D 1.598 ambi=2 { CD:29.295 } atom: 94 11I-HG13 G1 1.183 ambi=2 { CG1:27.277 } ::sumAvg: 2.685 atom: 1019 89K-QE E 2.868 ambi=2 { CE:41.959 } atom: 93 11I-HG12 G1 1.468 ambi=2 { CG1:27.277 } :: atom: 1019 89K-QE E 2.868 ambi=2 { CE:41.959 } atom: 94 11I-HG13 G1 1.183 ambi=2 { CG1:27.277 } ::sumAvg: 3.89 atom: 105 12I-HA A 4.839 ambi=1 { CA:60.97 } atom: 95 11I-HG2 G2 0.954 ambi=1 { CG2:19.323 } ::sumAvg: 3.98 atom: 95 11I-HG2 G2 0.954 ambi=1 { CG2:19.323 } atom: 106 12I-HB B 2.011 ambi=1 { CB:38.824 } ::sumAvg: 4.825 atom: 95 11I-HG2 G2 0.954 ambi=1 { CG2:19.323 } atom: 120 13S-HB2 B 3.679 ambi=2 { CB:66.255 } :: atom: 95 11I-HG2 G2 0.954 ambi=1 { CG2:19.323 } atom: 121 13S-HB3 B 3.475 ambi=2 { CB:66.255 } ::sumAvg: 3.855 atom: 95 11I-HG2 G2 0.954 ambi=1 { CG2:19.323 } atom: 175 18V-HA A 3.993 ambi=1 { CA:64.826 } ::sumAvg: 4.005 atom: 95 11I-HG2 G2 0.954 ambi=1 { CG2:19.323 } atom: 176 18V-HB B 1.933 ambi=1 { CB:31.84 } ::sumAvg: 4.46 atom: 976 86V-HA A 4.883 ambi=1 { CA:60.132 } atom: 95 11I-HG2 G2 0.954 ambi=1 { CG2:19.323 } ::sumAvg: 4.575 atom: 988 87E-HB2 B 1.928 ambi=2 { CB:33.516 } atom: 95 11I-HG2 G2 0.954 ambi=1 { CG2:19.323 } :: atom: 989 87E-HB3 B 1.85 ambi=2 { CB:33.516 } atom: 95 11I-HG2 G2 0.954 ambi=1 { CG2:19.323 } ::sumAvg: 4.665 atom: 95 11I-HG2 G2 0.954 ambi=1 { CG2:19.323 } atom: 1017 89K-QD D 1.598 ambi=2 { CD:29.295 } ::sumAvg: 4.165 atom: 1017 89K-QD D 1.598 ambi=2 { CD:29.295 } atom: 95 11I-HG2 G2 0.954 ambi=1 { CG2:19.323 } ::sumAvg: 4.165 atom: 201 20R-HB2 B 1.715 ambi=2 { CB:34.488 } atom: 104 12I-H N 9.146 ambi=1 { N:129.268 } :: atom: 202 20R-HB3 B 1.484 ambi=2 { CB:34.488 } atom: 104 12I-H N 9.146 ambi=1 { N:129.268 } ::sumAvg: 4.16 atom: 203 20R-HG2 G 1.416 ambi=2 { CG:27.325 } atom: 104 12I-H N 9.146 ambi=1 { N:129.268 } :: atom: 204 20R-HG3 G 1.333 ambi=2 { CG:27.325 } atom: 104 12I-H N 9.146 ambi=1 { N:129.268 } ::sumAvg: 4.91 atom: 217 21E-HB2 B 1.861 ambi=2 { CB:31.761 } atom: 104 12I-H N 9.146 ambi=1 { N:129.268 } :: atom: 218 21E-HB3 B 1.735 ambi=2 { CB:31.761 } atom: 104 12I-H N 9.146 ambi=1 { N:129.268 } ::sumAvg: 4.205 atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } atom: 104 12I-H N 9.146 ambi=1 { N:129.268 } ::sumAvg: 4.92 atom: 976 86V-HA A 4.883 ambi=1 { CA:60.132 } atom: 104 12I-H N 9.146 ambi=1 { N:129.268 } ::sumAvg: 4.77 atom: 105 12I-HA A 4.839 ambi=1 { CA:60.97 } atom: 119 13S-HA A 5.607 ambi=1 { CA:57.263 } ::sumAvg: 4.43 atom: 119 13S-HA A 5.607 ambi=1 { CA:57.263 } atom: 105 12I-HA A 4.839 ambi=1 { CA:60.97 } ::sumAvg: 4.43 atom: 105 12I-HA A 4.839 ambi=1 { CA:60.97 } atom: 120 13S-HB2 B 3.679 ambi=2 { CB:66.255 } :: atom: 105 12I-HA A 4.839 ambi=1 { CA:60.97 } atom: 121 13S-HB3 B 3.475 ambi=2 { CB:66.255 } ::sumAvg: 4.625 atom: 177 18V-HG1 G1 0.858 ambi=2 { CG1:21.456 } atom: 105 12I-HA A 4.839 ambi=1 { CA:60.97 } :: atom: 178 18V-HG2 G2 0.939 ambi=2 { CG2:21.818 } atom: 105 12I-HA A 4.839 ambi=1 { CA:60.97 } ::sumAvg: 4.895 atom: 105 12I-HA A 4.839 ambi=1 { CA:60.97 } atom: 188 19I-HG12 G1 1.363 ambi=2 { CG1:26.938 } :: atom: 105 12I-HA A 4.839 ambi=1 { CA:60.97 } atom: 189 19I-HG13 G1 1.173 ambi=2 { CG1:26.938 } ::sumAvg: 4.96 atom: 188 19I-HG12 G1 1.363 ambi=2 { CG1:26.938 } atom: 105 12I-HA A 4.839 ambi=1 { CA:60.97 } :: atom: 189 19I-HG13 G1 1.173 ambi=2 { CG1:26.938 } atom: 105 12I-HA A 4.839 ambi=1 { CA:60.97 } ::sumAvg: 4.96 atom: 105 12I-HA A 4.839 ambi=1 { CA:60.97 } atom: 957 85F-H N 8.851 ambi=1 { N:129.548 } ::sumAvg: 4.88 atom: 105 12I-HA A 4.839 ambi=1 { CA:60.97 } atom: 975 86V-H N 8.89 ambi=1 { N:125.549 } ::sumAvg: 4.875 atom: 105 12I-HA A 4.839 ambi=1 { CA:60.97 } atom: 977 86V-HB B 1.834 ambi=1 { CB:33.888 } ::sumAvg: 4.67 atom: 106 12I-HB B 2.011 ambi=1 { CB:38.824 } atom: 118 13S-H N 9.694 ambi=1 { N:123.583 } ::sumAvg: 4.285 atom: 106 12I-HB B 2.011 ambi=1 { CB:38.824 } atom: 119 13S-HA A 5.607 ambi=1 { CA:57.263 } ::sumAvg: 4.9 atom: 106 12I-HB B 2.011 ambi=1 { CB:38.824 } atom: 185 19I-H N 9.442 ambi=1 { N:123.467 } ::sumAvg: 4.095 atom: 106 12I-HB B 2.011 ambi=1 { CB:38.824 } atom: 200 20R-HA A 4.498 ambi=1 { CA:55.983 } ::sumAvg: 4.535 atom: 106 12I-HB B 2.011 ambi=1 { CB:38.824 } atom: 216 21E-HA A 5.123 ambi=1 { CA:55.166 } ::sumAvg: 4.42 atom: 106 12I-HB B 2.011 ambi=1 { CB:38.824 } atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } ::sumAvg: 4.575 atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } atom: 106 12I-HB B 2.011 ambi=1 { CB:38.824 } ::sumAvg: 4.575 atom: 106 12I-HB B 2.011 ambi=1 { CB:38.824 } atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } ::sumAvg: 3.91 atom: 106 12I-HB B 2.011 ambi=1 { CB:38.824 } atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } ::sumAvg: 4.535 atom: 106 12I-HB B 2.011 ambi=1 { CB:38.824 } atom: 978 86V-HG1 G1 0.617 ambi=2 { CG1:20.486 } :: atom: 106 12I-HB B 2.011 ambi=1 { CB:38.824 } atom: 979 86V-HG2 G2 0.679 ambi=2 { CG2:20.698 } ::sumAvg: 4.085 atom: 107 12I-HG12 G1 1.541 ambi=2 { CG1:28.479 } atom: 191 19I-HD1 D1 0.947 ambi=1 { CD1:13.826 } ::sumAvg: 4.885 atom: 108 12I-HG13 G1 1.077 ambi=2 { CG1:28.479 } atom: 201 20R-HB2 B 1.715 ambi=2 { CB:34.488 } :: atom: 108 12I-HG13 G1 1.077 ambi=2 { CG1:28.479 } atom: 202 20R-HB3 B 1.484 ambi=2 { CB:34.488 } ::sumAvg: 3.73 atom: 107 12I-HG12 G1 1.541 ambi=2 { CG1:28.479 } atom: 356 33F-QD D 6.881 ambi=3 { CD2:133.225 } :: atom: 108 12I-HG13 G1 1.077 ambi=2 { CG1:28.479 } atom: 356 33F-QD D 6.881 ambi=3 { CD2:133.225 } ::sumAvg: 4.91 atom: 107 12I-HG12 G1 1.541 ambi=2 { CG1:28.479 } atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } :: atom: 108 12I-HG13 G1 1.077 ambi=2 { CG1:28.479 } atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } ::sumAvg: 2.585 atom: 108 12I-HG13 G1 1.077 ambi=2 { CG1:28.479 } atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } ::sumAvg: 4.895 atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } atom: 108 12I-HG13 G1 1.077 ambi=2 { CG1:28.479 } ::sumAvg: 4.895 atom: 107 12I-HG12 G1 1.541 ambi=2 { CG1:28.479 } atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } :: atom: 107 12I-HG12 G1 1.541 ambi=2 { CG1:28.479 } atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } :: atom: 108 12I-HG13 G1 1.077 ambi=2 { CG1:28.479 } atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } :: atom: 108 12I-HG13 G1 1.077 ambi=2 { CG1:28.479 } atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } ::sumAvg: 3.345 atom: 107 12I-HG12 G1 1.541 ambi=2 { CG1:28.479 } atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } :: atom: 107 12I-HG12 G1 1.541 ambi=2 { CG1:28.479 } atom: 950 84V-HG2 G2 0.964 ambi=2 { CG2:22.66 } ::sumAvg: 4.63 atom: 108 12I-HG13 G1 1.077 ambi=2 { CG1:28.479 } atom: 977 86V-HB B 1.834 ambi=1 { CB:33.888 } ::sumAvg: 4.28 atom: 977 86V-HB B 1.834 ambi=1 { CB:33.888 } atom: 108 12I-HG13 G1 1.077 ambi=2 { CG1:28.479 } ::sumAvg: 4.28 atom: 109 12I-HG2 G2 0.891 ambi=1 { CG2:18.297 } atom: 119 13S-HA A 5.607 ambi=1 { CA:57.263 } ::sumAvg: 3.55 atom: 109 12I-HG2 G2 0.891 ambi=1 { CG2:18.297 } atom: 120 13S-HB2 B 3.679 ambi=2 { CB:66.255 } :: atom: 109 12I-HG2 G2 0.891 ambi=1 { CG2:18.297 } atom: 121 13S-HB3 B 3.475 ambi=2 { CB:66.255 } ::sumAvg: 4.93 atom: 109 12I-HG2 G2 0.891 ambi=1 { CG2:18.297 } atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } ::sumAvg: 4.86 atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } atom: 109 12I-HG2 G2 0.891 ambi=1 { CG2:18.297 } ::sumAvg: 4.86 atom: 109 12I-HG2 G2 0.891 ambi=1 { CG2:18.297 } atom: 128 14Q-HB2 B 2.275 ambi=2 { CB:32.306 } :: atom: 109 12I-HG2 G2 0.891 ambi=1 { CG2:18.297 } atom: 129 14Q-HB3 B 1.577 ambi=2 { CB:32.306 } ::sumAvg: 3.68 atom: 128 14Q-HB2 B 2.275 ambi=2 { CB:32.306 } atom: 109 12I-HG2 G2 0.891 ambi=1 { CG2:18.297 } :: atom: 129 14Q-HB3 B 1.577 ambi=2 { CB:32.306 } atom: 109 12I-HG2 G2 0.891 ambi=1 { CG2:18.297 } ::sumAvg: 3.68 atom: 109 12I-HG2 G2 0.891 ambi=1 { CG2:18.297 } atom: 175 18V-HA A 3.993 ambi=1 { CA:64.826 } ::sumAvg: 4.8 atom: 187 19I-HB B 1.998 ambi=1 { CB:39.942 } atom: 109 12I-HG2 G2 0.891 ambi=1 { CG2:18.297 } ::sumAvg: 4.77 atom: 109 12I-HG2 G2 0.891 ambi=1 { CG2:18.297 } atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } ::sumAvg: 4.055 atom: 109 12I-HG2 G2 0.891 ambi=1 { CG2:18.297 } atom: 380 35I-HB B 1.815 ambi=1 { CB:39.56 } ::sumAvg: 4.575 atom: 380 35I-HB B 1.815 ambi=1 { CB:39.56 } atom: 109 12I-HG2 G2 0.891 ambi=1 { CG2:18.297 } ::sumAvg: 4.575 atom: 109 12I-HG2 G2 0.891 ambi=1 { CG2:18.297 } atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } ::sumAvg: 3.185 atom: 109 12I-HG2 G2 0.891 ambi=1 { CG2:18.297 } atom: 947 84V-HA A 4.952 ambi=1 { CA:61.568 } ::sumAvg: 4.68 atom: 947 84V-HA A 4.952 ambi=1 { CA:61.568 } atom: 109 12I-HG2 G2 0.891 ambi=1 { CG2:18.297 } ::sumAvg: 4.68 atom: 109 12I-HG2 G2 0.891 ambi=1 { CG2:18.297 } atom: 977 86V-HB B 1.834 ambi=1 { CB:33.888 } ::sumAvg: 4.96 atom: 188 19I-HG12 G1 1.363 ambi=2 { CG1:26.938 } atom: 110 12I-HD1 D1 0.872 ambi=1 { CD1:15.014 } ::sumAvg: 4.91 atom: 110 12I-HD1 D1 0.872 ambi=1 { CD1:15.014 } atom: 199 20R-H N 7.777 ambi=1 { N:120.297 } ::sumAvg: 4.36 atom: 110 12I-HD1 D1 0.872 ambi=1 { CD1:15.014 } atom: 215 21E-H N 8.534 ambi=1 { N:123.704 } ::sumAvg: 4.32 atom: 110 12I-HD1 D1 0.872 ambi=1 { CD1:15.014 } atom: 227 22I-HA A 4.602 ambi=1 { CA:57.976 } ::sumAvg: 4.935 atom: 227 22I-HA A 4.602 ambi=1 { CA:57.976 } atom: 110 12I-HD1 D1 0.872 ambi=1 { CD1:15.014 } ::sumAvg: 4.935 atom: 229 22I-HG12 G1 1.303 ambi=2 { CG1:27.189 } atom: 110 12I-HD1 D1 0.872 ambi=1 { CD1:15.014 } ::sumAvg: 3.545 atom: 110 12I-HD1 D1 0.872 ambi=1 { CD1:15.014 } atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } :: atom: 110 12I-HD1 D1 0.872 ambi=1 { CD1:15.014 } atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } ::sumAvg: 4.585 atom: 110 12I-HD1 D1 0.872 ambi=1 { CD1:15.014 } atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } ::sumAvg: 4.215 atom: 110 12I-HD1 D1 0.872 ambi=1 { CD1:15.014 } atom: 986 87E-H N 8.687 ambi=1 { N:125.169 } ::sumAvg: 4.755 atom: 177 18V-HG1 G1 0.858 ambi=2 { CG1:21.456 } atom: 118 13S-H N 9.694 ambi=1 { N:123.583 } :: atom: 178 18V-HG2 G2 0.939 ambi=2 { CG2:21.818 } atom: 118 13S-H N 9.694 ambi=1 { N:123.583 } ::sumAvg: 4.795 atom: 188 19I-HG12 G1 1.363 ambi=2 { CG1:26.938 } atom: 118 13S-H N 9.694 ambi=1 { N:123.583 } :: atom: 189 19I-HG13 G1 1.173 ambi=2 { CG1:26.938 } atom: 118 13S-H N 9.694 ambi=1 { N:123.583 } ::sumAvg: 4.36 atom: 191 19I-HD1 D1 0.947 ambi=1 { CD1:13.826 } atom: 118 13S-H N 9.694 ambi=1 { N:123.583 } ::sumAvg: 4.755 atom: 958 85F-HA A 5.184 ambi=1 { CA:56.215 } atom: 118 13S-H N 9.694 ambi=1 { N:123.583 } ::sumAvg: 4.91 atom: 959 85F-HB2 B 2.967 ambi=2 { CB:43.499 } atom: 118 13S-H N 9.694 ambi=1 { N:123.583 } :: atom: 960 85F-HB3 B 2.915 ambi=2 { CB:43.499 } atom: 118 13S-H N 9.694 ambi=1 { N:123.583 } ::sumAvg: 3.985 atom: 128 14Q-HB2 B 2.275 ambi=2 { CB:32.306 } atom: 119 13S-HA A 5.607 ambi=1 { CA:57.263 } :: atom: 129 14Q-HB3 B 1.577 ambi=2 { CB:32.306 } atom: 119 13S-HA A 5.607 ambi=1 { CA:57.263 } ::sumAvg: 4.425 atom: 161 17K-HG2 G 1.438 ambi=2 { CG:24.498 } atom: 119 13S-HA A 5.607 ambi=1 { CA:57.263 } :: atom: 162 17K-HG3 G 1.366 ambi=2 { CG:24.498 } atom: 119 13S-HA A 5.607 ambi=1 { CA:57.263 } ::sumAvg: 4.875 atom: 119 13S-HA A 5.607 ambi=1 { CA:57.263 } atom: 957 85F-H N 8.851 ambi=1 { N:129.548 } ::sumAvg: 4.815 atom: 120 13S-HB2 B 3.679 ambi=2 { CB:66.255 } atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } :: atom: 121 13S-HB3 B 3.475 ambi=2 { CB:66.255 } atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } ::sumAvg: 4.545 atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } atom: 120 13S-HB2 B 3.679 ambi=2 { CB:66.255 } :: atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } atom: 121 13S-HB3 B 3.475 ambi=2 { CB:66.255 } ::sumAvg: 4.545 atom: 120 13S-HB2 B 3.679 ambi=2 { CB:66.255 } atom: 152 16G-HA2 A 4.131 ambi=2 { CA:45.397 } :: atom: 121 13S-HB3 B 3.475 ambi=2 { CB:66.255 } atom: 152 16G-HA2 A 4.131 ambi=2 { CA:45.397 } ::sumAvg: 4.585 atom: 152 16G-HA2 A 4.131 ambi=2 { CA:45.397 } atom: 120 13S-HB2 B 3.679 ambi=2 { CB:66.255 } :: atom: 152 16G-HA2 A 4.131 ambi=2 { CA:45.397 } atom: 121 13S-HB3 B 3.475 ambi=2 { CB:66.255 } ::sumAvg: 4.585 atom: 120 13S-HB2 B 3.679 ambi=2 { CB:66.255 } atom: 158 17K-HA A 4.683 ambi=1 { CA:54.244 } :: atom: 121 13S-HB3 B 3.475 ambi=2 { CB:66.255 } atom: 158 17K-HA A 4.683 ambi=1 { CA:54.244 } ::sumAvg: 4.475 atom: 158 17K-HA A 4.683 ambi=1 { CA:54.244 } atom: 120 13S-HB2 B 3.679 ambi=2 { CB:66.255 } :: atom: 158 17K-HA A 4.683 ambi=1 { CA:54.244 } atom: 121 13S-HB3 B 3.475 ambi=2 { CB:66.255 } ::sumAvg: 4.475 atom: 120 13S-HB2 B 3.679 ambi=2 { CB:66.255 } atom: 174 18V-H N 8.757 ambi=1 { N:125.259 } :: atom: 121 13S-HB3 B 3.475 ambi=2 { CB:66.255 } atom: 174 18V-H N 8.757 ambi=1 { N:125.259 } ::sumAvg: 4.215 atom: 120 13S-HB2 B 3.679 ambi=2 { CB:66.255 } atom: 185 19I-H N 9.442 ambi=1 { N:123.467 } :: atom: 121 13S-HB3 B 3.475 ambi=2 { CB:66.255 } atom: 185 19I-H N 9.442 ambi=1 { N:123.467 } ::sumAvg: 4.61 atom: 120 13S-HB2 B 3.679 ambi=2 { CB:66.255 } atom: 190 19I-HG2 G2 1.093 ambi=1 { CG2:18.501 } :: atom: 121 13S-HB3 B 3.475 ambi=2 { CB:66.255 } atom: 190 19I-HG2 G2 1.093 ambi=1 { CG2:18.501 } ::sumAvg: 4.95 atom: 190 19I-HG2 G2 1.093 ambi=1 { CG2:18.501 } atom: 120 13S-HB2 B 3.679 ambi=2 { CB:66.255 } :: atom: 190 19I-HG2 G2 1.093 ambi=1 { CG2:18.501 } atom: 121 13S-HB3 B 3.475 ambi=2 { CB:66.255 } ::sumAvg: 4.95 atom: 120 13S-HB2 B 3.679 ambi=2 { CB:66.255 } atom: 976 86V-HA A 4.883 ambi=1 { CA:60.132 } :: atom: 121 13S-HB3 B 3.475 ambi=2 { CB:66.255 } atom: 976 86V-HA A 4.883 ambi=1 { CA:60.132 } ::sumAvg: 4.845 atom: 976 86V-HA A 4.883 ambi=1 { CA:60.132 } atom: 120 13S-HB2 B 3.679 ambi=2 { CB:66.255 } :: atom: 976 86V-HA A 4.883 ambi=1 { CA:60.132 } atom: 121 13S-HB3 B 3.475 ambi=2 { CB:66.255 } ::sumAvg: 4.845 atom: 158 17K-HA A 4.683 ambi=1 { CA:54.244 } atom: 126 14Q-H N 9.099 ambi=1 { N:122.086 } ::sumAvg: 4.835 atom: 161 17K-HG2 G 1.438 ambi=2 { CG:24.498 } atom: 126 14Q-H N 9.099 ambi=1 { N:122.086 } :: atom: 162 17K-HG3 G 1.366 ambi=2 { CG:24.498 } atom: 126 14Q-H N 9.099 ambi=1 { N:122.086 } ::sumAvg: 3.465 atom: 947 84V-HA A 4.952 ambi=1 { CA:61.568 } atom: 126 14Q-H N 9.099 ambi=1 { N:122.086 } ::sumAvg: 4.915 atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } atom: 126 14Q-H N 9.099 ambi=1 { N:122.086 } :: atom: 950 84V-HG2 G2 0.964 ambi=2 { CG2:22.66 } atom: 126 14Q-H N 9.099 ambi=1 { N:122.086 } ::sumAvg: 4.9 atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } atom: 132 14Q-HE21 E2 8.065 ambi=2 { NE2:112.982 } :: atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } atom: 133 14Q-HE22 E2 6.62 ambi=2 { NE2:112.982 } ::sumAvg: 4.64 atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } atom: 142 15N-HB2 B 3.236 ambi=2 { CB:37.567 } :: atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } atom: 143 15N-HB3 B 2.726 ambi=2 { CB:37.567 } ::sumAvg: 4.74 atom: 142 15N-HB2 B 3.236 ambi=2 { CB:37.567 } atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } :: atom: 143 15N-HB3 B 2.726 ambi=2 { CB:37.567 } atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } ::sumAvg: 4.74 atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } atom: 144 15N-HD21 D2 7.617 ambi=2 { ND2:111.599 } :: atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } atom: 145 15N-HD22 D2 6.921 ambi=2 { ND2:111.599 } ::sumAvg: 4.965 atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } atom: 157 17K-H N 7.612 ambi=1 { N:120.793 } ::sumAvg: 4.62 atom: 190 19I-HG2 G2 1.093 ambi=1 { CG2:18.501 } atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } ::sumAvg: 4.445 atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } ::sumAvg: 4.705 atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } ::sumAvg: 4.705 atom: 931 83K-HB2 B 2.301 ambi=2 { CB:29.403 } atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } :: atom: 932 83K-HB3 B 1.915 ambi=2 { CB:29.403 } atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } ::sumAvg: 4.58 atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } atom: 946 84V-H N 7.72 ambi=1 { N:118.592 } ::sumAvg: 4.88 atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } atom: 959 85F-HB2 B 2.967 ambi=2 { CB:43.499 } :: atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } atom: 960 85F-HB3 B 2.915 ambi=2 { CB:43.499 } ::sumAvg: 4.99 atom: 959 85F-HB2 B 2.967 ambi=2 { CB:43.499 } atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } :: atom: 960 85F-HB3 B 2.915 ambi=2 { CB:43.499 } atom: 127 14Q-HA A 5.443 ambi=1 { CA:54.059 } ::sumAvg: 4.99 atom: 128 14Q-HB2 B 2.275 ambi=2 { CB:32.306 } atom: 142 15N-HB2 B 3.236 ambi=2 { CB:37.567 } :: atom: 128 14Q-HB2 B 2.275 ambi=2 { CB:32.306 } atom: 143 15N-HB3 B 2.726 ambi=2 { CB:37.567 } :: atom: 129 14Q-HB3 B 1.577 ambi=2 { CB:32.306 } atom: 142 15N-HB2 B 3.236 ambi=2 { CB:37.567 } :: atom: 129 14Q-HB3 B 1.577 ambi=2 { CB:32.306 } atom: 143 15N-HB3 B 2.726 ambi=2 { CB:37.567 } ::sumAvg: 4.245 atom: 128 14Q-HB2 B 2.275 ambi=2 { CB:32.306 } atom: 144 15N-HD21 D2 7.617 ambi=2 { ND2:111.599 } :: atom: 128 14Q-HB2 B 2.275 ambi=2 { CB:32.306 } atom: 145 15N-HD22 D2 6.921 ambi=2 { ND2:111.599 } :: atom: 129 14Q-HB3 B 1.577 ambi=2 { CB:32.306 } atom: 144 15N-HD21 D2 7.617 ambi=2 { ND2:111.599 } :: atom: 129 14Q-HB3 B 1.577 ambi=2 { CB:32.306 } atom: 145 15N-HD22 D2 6.921 ambi=2 { ND2:111.599 } ::sumAvg: 4.56 atom: 128 14Q-HB2 B 2.275 ambi=2 { CB:32.306 } atom: 157 17K-H N 7.612 ambi=1 { N:120.793 } :: atom: 129 14Q-HB3 B 1.577 ambi=2 { CB:32.306 } atom: 157 17K-H N 7.612 ambi=1 { N:120.793 } ::sumAvg: 4.56 atom: 128 14Q-HB2 B 2.275 ambi=2 { CB:32.306 } atom: 161 17K-HG2 G 1.438 ambi=2 { CG:24.498 } :: atom: 128 14Q-HB2 B 2.275 ambi=2 { CB:32.306 } atom: 162 17K-HG3 G 1.366 ambi=2 { CG:24.498 } ::sumAvg: 3.935 atom: 161 17K-HG2 G 1.438 ambi=2 { CG:24.498 } atom: 128 14Q-HB2 B 2.275 ambi=2 { CB:32.306 } :: atom: 162 17K-HG3 G 1.366 ambi=2 { CG:24.498 } atom: 128 14Q-HB2 B 2.275 ambi=2 { CB:32.306 } ::sumAvg: 3.935 atom: 129 14Q-HB3 B 1.577 ambi=2 { CB:32.306 } atom: 187 19I-HB B 1.998 ambi=1 { CB:39.942 } ::sumAvg: 4.71 atom: 187 19I-HB B 1.998 ambi=1 { CB:39.942 } atom: 129 14Q-HB3 B 1.577 ambi=2 { CB:32.306 } ::sumAvg: 4.71 atom: 384 35I-HD1 D1 0.909 ambi=1 { CD1:14.495 } atom: 128 14Q-HB2 B 2.275 ambi=2 { CB:32.306 } :: atom: 384 35I-HD1 D1 0.909 ambi=1 { CD1:14.495 } atom: 129 14Q-HB3 B 1.577 ambi=2 { CB:32.306 } ::sumAvg: 4.61 atom: 128 14Q-HB2 B 2.275 ambi=2 { CB:32.306 } atom: 957 85F-H N 8.851 ambi=1 { N:129.548 } :: atom: 129 14Q-HB3 B 1.577 ambi=2 { CB:32.306 } atom: 957 85F-H N 8.851 ambi=1 { N:129.548 } ::sumAvg: 4.69 atom: 130 14Q-HG2 G 2.137 ambi=2 { CG:33.434 } atom: 141 15N-HA A 4.445 ambi=1 { CA:54.64 } :: atom: 131 14Q-HG3 G 2.274 ambi=2 { CG:33.434 } atom: 141 15N-HA A 4.445 ambi=1 { CA:54.64 } ::sumAvg: 4.175 atom: 130 14Q-HG2 G 2.137 ambi=2 { CG:33.434 } atom: 144 15N-HD21 D2 7.617 ambi=2 { ND2:111.599 } :: atom: 130 14Q-HG2 G 2.137 ambi=2 { CG:33.434 } atom: 145 15N-HD22 D2 6.921 ambi=2 { ND2:111.599 } :: atom: 131 14Q-HG3 G 2.274 ambi=2 { CG:33.434 } atom: 144 15N-HD21 D2 7.617 ambi=2 { ND2:111.599 } :: atom: 131 14Q-HG3 G 2.274 ambi=2 { CG:33.434 } atom: 145 15N-HD22 D2 6.921 ambi=2 { ND2:111.599 } ::sumAvg: 2.92 atom: 130 14Q-HG2 G 2.137 ambi=2 { CG:33.434 } atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } :: atom: 130 14Q-HG2 G 2.137 ambi=2 { CG:33.434 } atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } :: atom: 131 14Q-HG3 G 2.274 ambi=2 { CG:33.434 } atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } :: atom: 131 14Q-HG3 G 2.274 ambi=2 { CG:33.434 } atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } ::sumAvg: 4.615 atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } atom: 130 14Q-HG2 G 2.137 ambi=2 { CG:33.434 } :: atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } atom: 130 14Q-HG2 G 2.137 ambi=2 { CG:33.434 } :: atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } atom: 131 14Q-HG3 G 2.274 ambi=2 { CG:33.434 } :: atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } atom: 131 14Q-HG3 G 2.274 ambi=2 { CG:33.434 } ::sumAvg: 4.615 atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } atom: 130 14Q-HG2 G 2.137 ambi=2 { CG:33.434 } :: atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } atom: 130 14Q-HG2 G 2.137 ambi=2 { CG:33.434 } :: atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } atom: 131 14Q-HG3 G 2.274 ambi=2 { CG:33.434 } :: atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } atom: 131 14Q-HG3 G 2.274 ambi=2 { CG:33.434 } ::sumAvg: 4.9 atom: 130 14Q-HG2 G 2.137 ambi=2 { CG:33.434 } atom: 946 84V-H N 7.72 ambi=1 { N:118.592 } :: atom: 131 14Q-HG3 G 2.274 ambi=2 { CG:33.434 } atom: 946 84V-H N 7.72 ambi=1 { N:118.592 } ::sumAvg: 4.72 atom: 130 14Q-HG2 G 2.137 ambi=2 { CG:33.434 } atom: 947 84V-HA A 4.952 ambi=1 { CA:61.568 } :: atom: 131 14Q-HG3 G 2.274 ambi=2 { CG:33.434 } atom: 947 84V-HA A 4.952 ambi=1 { CA:61.568 } ::sumAvg: 3.28 atom: 393 36K-HA A 4.627 ambi=1 { CA:56.355 } atom: 132 14Q-HE21 E2 8.065 ambi=2 { NE2:112.982 } :: atom: 393 36K-HA A 4.627 ambi=1 { CA:56.355 } atom: 133 14Q-HE22 E2 6.62 ambi=2 { NE2:112.982 } ::sumAvg: 4.44 atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } atom: 132 14Q-HE21 E2 8.065 ambi=2 { NE2:112.982 } :: atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } atom: 133 14Q-HE22 E2 6.62 ambi=2 { NE2:112.982 } ::sumAvg: 4.805 atom: 931 83K-HB2 B 2.301 ambi=2 { CB:29.403 } atom: 132 14Q-HE21 E2 8.065 ambi=2 { NE2:112.982 } :: atom: 932 83K-HB3 B 1.915 ambi=2 { CB:29.403 } atom: 132 14Q-HE21 E2 8.065 ambi=2 { NE2:112.982 } :: atom: 931 83K-HB2 B 2.301 ambi=2 { CB:29.403 } atom: 133 14Q-HE22 E2 6.62 ambi=2 { NE2:112.982 } :: atom: 932 83K-HB3 B 1.915 ambi=2 { CB:29.403 } atom: 133 14Q-HE22 E2 6.62 ambi=2 { NE2:112.982 } ::sumAvg: 4.525 atom: 930 83K-HA A 3.982 ambi=1 { CA:56.95 } atom: 140 15N-H N 9.754 ambi=1 { N:126.177 } ::sumAvg: 4.275 atom: 935 83K-HD2 D 1.808 ambi=2 { CD:29.124 } atom: 140 15N-H N 9.754 ambi=1 { N:126.177 } :: atom: 936 83K-HD3 D 1.73 ambi=2 { CD:29.124 } atom: 140 15N-H N 9.754 ambi=1 { N:126.177 } ::sumAvg: 4.67 atom: 141 15N-HA A 4.445 ambi=1 { CA:54.64 } atom: 930 83K-HA A 3.982 ambi=1 { CA:56.95 } ::sumAvg: 4.775 atom: 930 83K-HA A 3.982 ambi=1 { CA:56.95 } atom: 141 15N-HA A 4.445 ambi=1 { CA:54.64 } ::sumAvg: 4.775 atom: 933 83K-HG2 G 1.495 ambi=2 { CG:25.117 } atom: 141 15N-HA A 4.445 ambi=1 { CA:54.64 } :: atom: 934 83K-HG3 G 1.44 ambi=2 { CG:25.117 } atom: 141 15N-HA A 4.445 ambi=1 { CA:54.64 } ::sumAvg: 4.335 atom: 141 15N-HA A 4.445 ambi=1 { CA:54.64 } atom: 937 83K-QE E 3.0535 ambi=2 { CE:42.684 } ::sumAvg: 4.875 atom: 937 83K-QE E 3.0535 ambi=2 { CE:42.684 } atom: 141 15N-HA A 4.445 ambi=1 { CA:54.64 } ::sumAvg: 4.875 atom: 142 15N-HB2 B 3.236 ambi=2 { CB:37.567 } atom: 152 16G-HA2 A 4.131 ambi=2 { CA:45.397 } :: atom: 143 15N-HB3 B 2.726 ambi=2 { CB:37.567 } atom: 152 16G-HA2 A 4.131 ambi=2 { CA:45.397 } :: atom: 143 15N-HB3 B 2.726 ambi=2 { CB:37.567 } atom: 153 16G-HA3 A 3.624 ambi=2 { CA:45.397 } ::sumAvg: 4.81 atom: 152 16G-HA2 A 4.131 ambi=2 { CA:45.397 } atom: 142 15N-HB2 B 3.236 ambi=2 { CB:37.567 } :: atom: 152 16G-HA2 A 4.131 ambi=2 { CA:45.397 } atom: 143 15N-HB3 B 2.726 ambi=2 { CB:37.567 } :: atom: 153 16G-HA3 A 3.624 ambi=2 { CA:45.397 } atom: 143 15N-HB3 B 2.726 ambi=2 { CB:37.567 } ::sumAvg: 4.81 atom: 142 15N-HB2 B 3.236 ambi=2 { CB:37.567 } atom: 161 17K-HG2 G 1.438 ambi=2 { CG:24.498 } :: atom: 142 15N-HB2 B 3.236 ambi=2 { CB:37.567 } atom: 162 17K-HG3 G 1.366 ambi=2 { CG:24.498 } :: atom: 143 15N-HB3 B 2.726 ambi=2 { CB:37.567 } atom: 161 17K-HG2 G 1.438 ambi=2 { CG:24.498 } :: atom: 143 15N-HB3 B 2.726 ambi=2 { CB:37.567 } atom: 162 17K-HG3 G 1.366 ambi=2 { CG:24.498 } ::sumAvg: 3.085 atom: 161 17K-HG2 G 1.438 ambi=2 { CG:24.498 } atom: 142 15N-HB2 B 3.236 ambi=2 { CB:37.567 } :: atom: 162 17K-HG3 G 1.366 ambi=2 { CG:24.498 } atom: 142 15N-HB2 B 3.236 ambi=2 { CB:37.567 } :: atom: 161 17K-HG2 G 1.438 ambi=2 { CG:24.498 } atom: 143 15N-HB3 B 2.726 ambi=2 { CB:37.567 } :: atom: 162 17K-HG3 G 1.366 ambi=2 { CG:24.498 } atom: 143 15N-HB3 B 2.726 ambi=2 { CB:37.567 } ::sumAvg: 3.085 atom: 142 15N-HB2 B 3.236 ambi=2 { CB:37.567 } atom: 163 17K-HD2 D 1.703 ambi=2 { CD:29.053 } :: atom: 142 15N-HB2 B 3.236 ambi=2 { CB:37.567 } atom: 164 17K-HD3 D 1.492 ambi=2 { CD:29.053 } :: atom: 143 15N-HB3 B 2.726 ambi=2 { CB:37.567 } atom: 163 17K-HD2 D 1.703 ambi=2 { CD:29.053 } :: atom: 143 15N-HB3 B 2.726 ambi=2 { CB:37.567 } atom: 164 17K-HD3 D 1.492 ambi=2 { CD:29.053 } ::sumAvg: 4.46 atom: 931 83K-HB2 B 2.301 ambi=2 { CB:29.403 } atom: 142 15N-HB2 B 3.236 ambi=2 { CB:37.567 } :: atom: 932 83K-HB3 B 1.915 ambi=2 { CB:29.403 } atom: 142 15N-HB2 B 3.236 ambi=2 { CB:37.567 } :: atom: 931 83K-HB2 B 2.301 ambi=2 { CB:29.403 } atom: 143 15N-HB3 B 2.726 ambi=2 { CB:37.567 } :: atom: 932 83K-HB3 B 1.915 ambi=2 { CB:29.403 } atom: 143 15N-HB3 B 2.726 ambi=2 { CB:37.567 } ::sumAvg: 4.63 atom: 142 15N-HB2 B 3.236 ambi=2 { CB:37.567 } atom: 935 83K-HD2 D 1.808 ambi=2 { CD:29.124 } :: atom: 142 15N-HB2 B 3.236 ambi=2 { CB:37.567 } atom: 936 83K-HD3 D 1.73 ambi=2 { CD:29.124 } :: atom: 143 15N-HB3 B 2.726 ambi=2 { CB:37.567 } atom: 935 83K-HD2 D 1.808 ambi=2 { CD:29.124 } :: atom: 143 15N-HB3 B 2.726 ambi=2 { CB:37.567 } atom: 936 83K-HD3 D 1.73 ambi=2 { CD:29.124 } ::sumAvg: 4.355 atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } atom: 144 15N-HD21 D2 7.617 ambi=2 { ND2:111.599 } :: atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } atom: 144 15N-HD21 D2 7.617 ambi=2 { ND2:111.599 } :: atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } atom: 145 15N-HD22 D2 6.921 ambi=2 { ND2:111.599 } :: atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } atom: 145 15N-HD22 D2 6.921 ambi=2 { ND2:111.599 } ::sumAvg: 4.175 atom: 931 83K-HB2 B 2.301 ambi=2 { CB:29.403 } atom: 144 15N-HD21 D2 7.617 ambi=2 { ND2:111.599 } :: atom: 932 83K-HB3 B 1.915 ambi=2 { CB:29.403 } atom: 144 15N-HD21 D2 7.617 ambi=2 { ND2:111.599 } :: atom: 931 83K-HB2 B 2.301 ambi=2 { CB:29.403 } atom: 145 15N-HD22 D2 6.921 ambi=2 { ND2:111.599 } :: atom: 932 83K-HB3 B 1.915 ambi=2 { CB:29.403 } atom: 145 15N-HD22 D2 6.921 ambi=2 { ND2:111.599 } ::sumAvg: 3.63 atom: 935 83K-HD2 D 1.808 ambi=2 { CD:29.124 } atom: 144 15N-HD21 D2 7.617 ambi=2 { ND2:111.599 } :: atom: 936 83K-HD3 D 1.73 ambi=2 { CD:29.124 } atom: 144 15N-HD21 D2 7.617 ambi=2 { ND2:111.599 } :: atom: 935 83K-HD2 D 1.808 ambi=2 { CD:29.124 } atom: 145 15N-HD22 D2 6.921 ambi=2 { ND2:111.599 } :: atom: 936 83K-HD3 D 1.73 ambi=2 { CD:29.124 } atom: 145 15N-HD22 D2 6.921 ambi=2 { ND2:111.599 } ::sumAvg: 4.155 atom: 158 17K-HA A 4.683 ambi=1 { CA:54.244 } atom: 151 16G-H N 9.072 ambi=1 { N:103.457 } ::sumAvg: 4.975 atom: 161 17K-HG2 G 1.438 ambi=2 { CG:24.498 } atom: 151 16G-H N 9.072 ambi=1 { N:103.457 } :: atom: 162 17K-HG3 G 1.366 ambi=2 { CG:24.498 } atom: 151 16G-H N 9.072 ambi=1 { N:103.457 } ::sumAvg: 4.185 atom: 931 83K-HB2 B 2.301 ambi=2 { CB:29.403 } atom: 151 16G-H N 9.072 ambi=1 { N:103.457 } :: atom: 932 83K-HB3 B 1.915 ambi=2 { CB:29.403 } atom: 151 16G-H N 9.072 ambi=1 { N:103.457 } ::sumAvg: 4.74 atom: 152 16G-HA2 A 4.131 ambi=2 { CA:45.397 } atom: 158 17K-HA A 4.683 ambi=1 { CA:54.244 } :: atom: 153 16G-HA3 A 3.624 ambi=2 { CA:45.397 } atom: 158 17K-HA A 4.683 ambi=1 { CA:54.244 } ::sumAvg: 4.435 atom: 158 17K-HA A 4.683 ambi=1 { CA:54.244 } atom: 152 16G-HA2 A 4.131 ambi=2 { CA:45.397 } :: atom: 158 17K-HA A 4.683 ambi=1 { CA:54.244 } atom: 153 16G-HA3 A 3.624 ambi=2 { CA:45.397 } ::sumAvg: 4.435 atom: 152 16G-HA2 A 4.131 ambi=2 { CA:45.397 } atom: 159 17K-HB2 B 1.866 ambi=2 { CB:34.798 } :: atom: 152 16G-HA2 A 4.131 ambi=2 { CA:45.397 } atom: 160 17K-HB3 B 1.773 ambi=2 { CB:34.798 } :: atom: 153 16G-HA3 A 3.624 ambi=2 { CA:45.397 } atom: 159 17K-HB2 B 1.866 ambi=2 { CB:34.798 } :: atom: 153 16G-HA3 A 3.624 ambi=2 { CA:45.397 } atom: 160 17K-HB3 B 1.773 ambi=2 { CB:34.798 } ::sumAvg: 4.69 atom: 159 17K-HB2 B 1.866 ambi=2 { CB:34.798 } atom: 152 16G-HA2 A 4.131 ambi=2 { CA:45.397 } :: atom: 160 17K-HB3 B 1.773 ambi=2 { CB:34.798 } atom: 152 16G-HA2 A 4.131 ambi=2 { CA:45.397 } :: atom: 159 17K-HB2 B 1.866 ambi=2 { CB:34.798 } atom: 153 16G-HA3 A 3.624 ambi=2 { CA:45.397 } :: atom: 160 17K-HB3 B 1.773 ambi=2 { CB:34.798 } atom: 153 16G-HA3 A 3.624 ambi=2 { CA:45.397 } ::sumAvg: 4.69 atom: 161 17K-HG2 G 1.438 ambi=2 { CG:24.498 } atom: 152 16G-HA2 A 4.131 ambi=2 { CA:45.397 } :: atom: 162 17K-HG3 G 1.366 ambi=2 { CG:24.498 } atom: 152 16G-HA2 A 4.131 ambi=2 { CA:45.397 } :: atom: 161 17K-HG2 G 1.438 ambi=2 { CG:24.498 } atom: 153 16G-HA3 A 3.624 ambi=2 { CA:45.397 } :: atom: 162 17K-HG3 G 1.366 ambi=2 { CG:24.498 } atom: 153 16G-HA3 A 3.624 ambi=2 { CA:45.397 } ::sumAvg: 4.79 atom: 163 17K-HD2 D 1.703 ambi=2 { CD:29.053 } atom: 157 17K-H N 7.612 ambi=1 { N:120.793 } :: atom: 164 17K-HD3 D 1.492 ambi=2 { CD:29.053 } atom: 157 17K-H N 7.612 ambi=1 { N:120.793 } ::sumAvg: 4.53 atom: 165 17K-QE E 3.037 ambi=2 { CE:42.406 } atom: 157 17K-H N 7.612 ambi=1 { N:120.793 } ::sumAvg: 4.605 atom: 158 17K-HA A 4.683 ambi=1 { CA:54.244 } atom: 165 17K-QE E 3.037 ambi=2 { CE:42.406 } ::sumAvg: 4.895 atom: 165 17K-QE E 3.037 ambi=2 { CE:42.406 } atom: 158 17K-HA A 4.683 ambi=1 { CA:54.244 } ::sumAvg: 4.895 atom: 158 17K-HA A 4.683 ambi=1 { CA:54.244 } atom: 176 18V-HB B 1.933 ambi=1 { CB:31.84 } ::sumAvg: 4.79 atom: 159 17K-HB2 B 1.866 ambi=2 { CB:34.798 } atom: 165 17K-QE E 3.037 ambi=2 { CE:42.406 } :: atom: 160 17K-HB3 B 1.773 ambi=2 { CB:34.798 } atom: 165 17K-QE E 3.037 ambi=2 { CE:42.406 } ::sumAvg: 2.97 atom: 159 17K-HB2 B 1.866 ambi=2 { CB:34.798 } atom: 175 18V-HA A 3.993 ambi=1 { CA:64.826 } :: atom: 160 17K-HB3 B 1.773 ambi=2 { CB:34.798 } atom: 175 18V-HA A 3.993 ambi=1 { CA:64.826 } ::sumAvg: 4.955 atom: 159 17K-HB2 B 1.866 ambi=2 { CB:34.798 } atom: 177 18V-HG1 G1 0.858 ambi=2 { CG1:21.456 } :: atom: 159 17K-HB2 B 1.866 ambi=2 { CB:34.798 } atom: 178 18V-HG2 G2 0.939 ambi=2 { CG2:21.818 } :: atom: 160 17K-HB3 B 1.773 ambi=2 { CB:34.798 } atom: 177 18V-HG1 G1 0.858 ambi=2 { CG1:21.456 } :: atom: 160 17K-HB3 B 1.773 ambi=2 { CB:34.798 } atom: 178 18V-HG2 G2 0.939 ambi=2 { CG2:21.818 } ::sumAvg: 4.765 atom: 159 17K-HB2 B 1.866 ambi=2 { CB:34.798 } atom: 190 19I-HG2 G2 1.093 ambi=1 { CG2:18.501 } :: atom: 160 17K-HB3 B 1.773 ambi=2 { CB:34.798 } atom: 190 19I-HG2 G2 1.093 ambi=1 { CG2:18.501 } ::sumAvg: 4.165 atom: 161 17K-HG2 G 1.438 ambi=2 { CG:24.498 } atom: 175 18V-HA A 3.993 ambi=1 { CA:64.826 } :: atom: 162 17K-HG3 G 1.366 ambi=2 { CG:24.498 } atom: 175 18V-HA A 3.993 ambi=1 { CA:64.826 } ::sumAvg: 4.735 atom: 161 17K-HG2 G 1.438 ambi=2 { CG:24.498 } atom: 185 19I-H N 9.442 ambi=1 { N:123.467 } :: atom: 162 17K-HG3 G 1.366 ambi=2 { CG:24.498 } atom: 185 19I-H N 9.442 ambi=1 { N:123.467 } ::sumAvg: 4.805 atom: 190 19I-HG2 G2 1.093 ambi=1 { CG2:18.501 } atom: 165 17K-QE E 3.037 ambi=2 { CE:42.406 } ::sumAvg: 3.8 atom: 190 19I-HG2 G2 1.093 ambi=1 { CG2:18.501 } atom: 174 18V-H N 8.757 ambi=1 { N:125.259 } ::sumAvg: 4.64 atom: 175 18V-HA A 3.993 ambi=1 { CA:64.826 } atom: 186 19I-HA A 4.598 ambi=1 { CA:61.112 } ::sumAvg: 4.42 atom: 176 18V-HB B 1.933 ambi=1 { CB:31.84 } atom: 185 19I-H N 9.442 ambi=1 { N:123.467 } ::sumAvg: 4.195 atom: 176 18V-HB B 1.933 ambi=1 { CB:31.84 } atom: 186 19I-HA A 4.598 ambi=1 { CA:61.112 } ::sumAvg: 4.855 atom: 186 19I-HA A 4.598 ambi=1 { CA:61.112 } atom: 176 18V-HB B 1.933 ambi=1 { CB:31.84 } ::sumAvg: 4.855 atom: 177 18V-HG1 G1 0.858 ambi=2 { CG1:21.456 } atom: 215 21E-H N 8.534 ambi=1 { N:123.704 } :: atom: 178 18V-HG2 G2 0.939 ambi=2 { CG2:21.818 } atom: 215 21E-H N 8.534 ambi=1 { N:123.704 } ::sumAvg: 4.245 atom: 177 18V-HG1 G1 0.858 ambi=2 { CG1:21.456 } atom: 216 21E-HA A 5.123 ambi=1 { CA:55.166 } :: atom: 178 18V-HG2 G2 0.939 ambi=2 { CG2:21.818 } atom: 216 21E-HA A 5.123 ambi=1 { CA:55.166 } ::sumAvg: 4.4 atom: 200 20R-HA A 4.498 ambi=1 { CA:55.983 } atom: 185 19I-H N 9.442 ambi=1 { N:123.467 } ::sumAvg: 4.775 atom: 201 20R-HB2 B 1.715 ambi=2 { CB:34.488 } atom: 186 19I-HA A 4.598 ambi=1 { CA:61.112 } :: atom: 202 20R-HB3 B 1.484 ambi=2 { CB:34.488 } atom: 186 19I-HA A 4.598 ambi=1 { CA:61.112 } ::sumAvg: 4.795 atom: 187 19I-HB B 1.998 ambi=1 { CB:39.942 } atom: 202 20R-HB3 B 1.484 ambi=2 { CB:34.488 } ::sumAvg: 4.025 atom: 187 19I-HB B 1.998 ambi=1 { CB:39.942 } atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } ::sumAvg: 4.685 atom: 189 19I-HG13 G1 1.173 ambi=2 { CG1:26.938 } atom: 201 20R-HB2 B 1.715 ambi=2 { CB:34.488 } ::sumAvg: 2.775 atom: 201 20R-HB2 B 1.715 ambi=2 { CB:34.488 } atom: 189 19I-HG13 G1 1.173 ambi=2 { CG1:26.938 } ::sumAvg: 2.775 atom: 189 19I-HG13 G1 1.173 ambi=2 { CG1:26.938 } atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } ::sumAvg: 4.29 atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } atom: 189 19I-HG13 G1 1.173 ambi=2 { CG1:26.938 } ::sumAvg: 4.29 atom: 188 19I-HG12 G1 1.363 ambi=2 { CG1:26.938 } atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } ::sumAvg: 4.25 atom: 188 19I-HG12 G1 1.363 ambi=2 { CG1:26.938 } atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } :: atom: 189 19I-HG13 G1 1.173 ambi=2 { CG1:26.938 } atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } ::sumAvg: 4.78 atom: 191 19I-HD1 D1 0.947 ambi=1 { CD1:13.826 } atom: 392 36K-H N 9.316 ambi=1 { N:131.473 } ::sumAvg: 4.85 atom: 216 21E-HA A 5.123 ambi=1 { CA:55.166 } atom: 199 20R-H N 7.777 ambi=1 { N:120.297 } ::sumAvg: 4.74 atom: 219 21E-HG2 G 2.071 ambi=2 { CG:36.861 } atom: 199 20R-H N 7.777 ambi=1 { N:120.297 } :: atom: 220 21E-HG3 G 2.002 ambi=2 { CG:36.861 } atom: 199 20R-H N 7.777 ambi=1 { N:120.297 } ::sumAvg: 4.525 atom: 200 20R-HA A 4.498 ambi=1 { CA:55.983 } atom: 207 20R-HE E 6.939 ambi=1 { NE:82.347 } ::sumAvg: 3.075 atom: 200 20R-HA A 4.498 ambi=1 { CA:55.983 } atom: 216 21E-HA A 5.123 ambi=1 { CA:55.166 } ::sumAvg: 4.46 atom: 216 21E-HA A 5.123 ambi=1 { CA:55.166 } atom: 200 20R-HA A 4.498 ambi=1 { CA:55.983 } ::sumAvg: 4.46 atom: 200 20R-HA A 4.498 ambi=1 { CA:55.983 } atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } ::sumAvg: 4.9 atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } atom: 200 20R-HA A 4.498 ambi=1 { CA:55.983 } ::sumAvg: 4.9 atom: 201 20R-HB2 B 1.715 ambi=2 { CB:34.488 } atom: 207 20R-HE E 6.939 ambi=1 { NE:82.347 } :: atom: 202 20R-HB3 B 1.484 ambi=2 { CB:34.488 } atom: 207 20R-HE E 6.939 ambi=1 { NE:82.347 } ::sumAvg: 3.32 atom: 201 20R-HB2 B 1.715 ambi=2 { CB:34.488 } atom: 216 21E-HA A 5.123 ambi=1 { CA:55.166 } :: atom: 202 20R-HB3 B 1.484 ambi=2 { CB:34.488 } atom: 216 21E-HA A 5.123 ambi=1 { CA:55.166 } ::sumAvg: 4.665 atom: 201 20R-HB2 B 1.715 ambi=2 { CB:34.488 } atom: 356 33F-QD D 6.881 ambi=3 { CD2:133.225 } :: atom: 202 20R-HB3 B 1.484 ambi=2 { CB:34.488 } atom: 356 33F-QD D 6.881 ambi=3 { CD2:133.225 } ::sumAvg: 4.57 atom: 201 20R-HB2 B 1.715 ambi=2 { CB:34.488 } atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } :: atom: 202 20R-HB3 B 1.484 ambi=2 { CB:34.488 } atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } ::sumAvg: 3.5 atom: 201 20R-HB2 B 1.715 ambi=2 { CB:34.488 } atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } :: atom: 202 20R-HB3 B 1.484 ambi=2 { CB:34.488 } atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } ::sumAvg: 4.65 atom: 203 20R-HG2 G 1.416 ambi=2 { CG:27.325 } atom: 230 22I-HG13 G1 0.945 ambi=2 { CG1:27.189 } ::sumAvg: 2.91 atom: 230 22I-HG13 G1 0.945 ambi=2 { CG1:27.189 } atom: 203 20R-HG2 G 1.416 ambi=2 { CG:27.325 } ::sumAvg: 2.91 atom: 203 20R-HG2 G 1.416 ambi=2 { CG:27.325 } atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } :: atom: 203 20R-HG2 G 1.416 ambi=2 { CG:27.325 } atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } :: atom: 204 20R-HG3 G 1.333 ambi=2 { CG:27.325 } atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } :: atom: 204 20R-HG3 G 1.333 ambi=2 { CG:27.325 } atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } ::sumAvg: 4.83 atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } atom: 203 20R-HG2 G 1.416 ambi=2 { CG:27.325 } :: atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } atom: 203 20R-HG2 G 1.416 ambi=2 { CG:27.325 } :: atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } atom: 204 20R-HG3 G 1.333 ambi=2 { CG:27.325 } :: atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } atom: 204 20R-HG3 G 1.333 ambi=2 { CG:27.325 } ::sumAvg: 4.83 atom: 203 20R-HG2 G 1.416 ambi=2 { CG:27.325 } atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } :: atom: 204 20R-HG3 G 1.333 ambi=2 { CG:27.325 } atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } ::sumAvg: 4.485 atom: 229 22I-HG12 G1 1.303 ambi=2 { CG1:27.189 } atom: 207 20R-HE E 6.939 ambi=1 { NE:82.347 } :: atom: 230 22I-HG13 G1 0.945 ambi=2 { CG1:27.189 } atom: 207 20R-HE E 6.939 ambi=1 { NE:82.347 } ::sumAvg: 4.945 atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } atom: 207 20R-HE E 6.939 ambi=1 { NE:82.347 } ::sumAvg: 3.91 atom: 227 22I-HA A 4.602 ambi=1 { CA:57.976 } atom: 215 21E-H N 8.534 ambi=1 { N:123.704 } ::sumAvg: 4.785 atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } atom: 215 21E-H N 8.534 ambi=1 { N:123.704 } ::sumAvg: 4.24 atom: 216 21E-HA A 5.123 ambi=1 { CA:55.166 } atom: 227 22I-HA A 4.602 ambi=1 { CA:57.976 } ::sumAvg: 4.425 atom: 227 22I-HA A 4.602 ambi=1 { CA:57.976 } atom: 216 21E-HA A 5.123 ambi=1 { CA:55.166 } ::sumAvg: 4.425 atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } atom: 216 21E-HA A 5.123 ambi=1 { CA:55.166 } ::sumAvg: 3.905 atom: 217 21E-HB2 B 1.861 ambi=2 { CB:31.761 } atom: 227 22I-HA A 4.602 ambi=1 { CA:57.976 } :: atom: 218 21E-HB3 B 1.735 ambi=2 { CB:31.761 } atom: 227 22I-HA A 4.602 ambi=1 { CA:57.976 } ::sumAvg: 4.66 atom: 217 21E-HB2 B 1.861 ambi=2 { CB:31.761 } atom: 244 23P-HD2 D 3.878 ambi=2 { CD:51.472 } :: atom: 217 21E-HB2 B 1.861 ambi=2 { CB:31.761 } atom: 245 23P-HD3 D 3.818 ambi=2 { CD:51.472 } :: atom: 218 21E-HB3 B 1.735 ambi=2 { CB:31.761 } atom: 244 23P-HD2 D 3.878 ambi=2 { CD:51.472 } :: atom: 218 21E-HB3 B 1.735 ambi=2 { CB:31.761 } atom: 245 23P-HD3 D 3.818 ambi=2 { CD:51.472 } ::sumAvg: 4.835 atom: 244 23P-HD2 D 3.878 ambi=2 { CD:51.472 } atom: 226 22I-H N 9.366 ambi=1 { N:124.604 } :: atom: 245 23P-HD3 D 3.818 ambi=2 { CD:51.472 } atom: 226 22I-H N 9.366 ambi=1 { N:124.604 } ::sumAvg: 4.425 atom: 228 22I-HB B 1.716 ambi=1 { CB:41.771 } atom: 244 23P-HD2 D 3.878 ambi=2 { CD:51.472 } :: atom: 228 22I-HB B 1.716 ambi=1 { CB:41.771 } atom: 245 23P-HD3 D 3.818 ambi=2 { CD:51.472 } ::sumAvg: 4.575 atom: 244 23P-HD2 D 3.878 ambi=2 { CD:51.472 } atom: 228 22I-HB B 1.716 ambi=1 { CB:41.771 } :: atom: 245 23P-HD3 D 3.818 ambi=2 { CD:51.472 } atom: 228 22I-HB B 1.716 ambi=1 { CB:41.771 } ::sumAvg: 4.575 atom: 228 22I-HB B 1.716 ambi=1 { CB:41.771 } atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } ::sumAvg: 4.52 atom: 228 22I-HB B 1.716 ambi=1 { CB:41.771 } atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } ::sumAvg: 4.755 atom: 229 22I-HG12 G1 1.303 ambi=2 { CG1:27.189 } atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } :: atom: 229 22I-HG12 G1 1.303 ambi=2 { CG1:27.189 } atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } :: atom: 230 22I-HG13 G1 0.945 ambi=2 { CG1:27.189 } atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } :: atom: 230 22I-HG13 G1 0.945 ambi=2 { CG1:27.189 } atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } ::sumAvg: 4.085 atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } atom: 229 22I-HG12 G1 1.303 ambi=2 { CG1:27.189 } :: atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } atom: 229 22I-HG12 G1 1.303 ambi=2 { CG1:27.189 } :: atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } atom: 230 22I-HG13 G1 0.945 ambi=2 { CG1:27.189 } :: atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } atom: 230 22I-HG13 G1 0.945 ambi=2 { CG1:27.189 } ::sumAvg: 4.085 atom: 229 22I-HG12 G1 1.303 ambi=2 { CG1:27.189 } atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } :: atom: 230 22I-HG13 G1 0.945 ambi=2 { CG1:27.189 } atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } ::sumAvg: 4.38 atom: 229 22I-HG12 G1 1.303 ambi=2 { CG1:27.189 } atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } :: atom: 229 22I-HG12 G1 1.303 ambi=2 { CG1:27.189 } atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } :: atom: 230 22I-HG13 G1 0.945 ambi=2 { CG1:27.189 } atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } ::sumAvg: 3.535 atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } atom: 239 23P-HA A 4.464 ambi=1 { CA:63.528 } ::sumAvg: 4.03 atom: 239 23P-HA A 4.464 ambi=1 { CA:63.528 } atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } ::sumAvg: 4.03 atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } atom: 240 23P-HB2 B 2.391 ambi=2 { CB:31.306 } :: atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } atom: 241 23P-HB3 B 2.065 ambi=2 { CB:31.306 } ::sumAvg: 4.44 atom: 240 23P-HB2 B 2.391 ambi=2 { CB:31.306 } atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } :: atom: 241 23P-HB3 B 2.065 ambi=2 { CB:31.306 } atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } ::sumAvg: 4.44 atom: 255 24L-HG G 1.669 ambi=1 { CG:26.232 } atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } ::sumAvg: 4.025 atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } atom: 282 27H-HB2 B 3.493 ambi=2 { CB:27.172 } :: atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } ::sumAvg: 4.055 atom: 282 27H-HB2 B 3.493 ambi=2 { CB:27.172 } atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } :: atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } ::sumAvg: 4.055 atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } atom: 328 31E-QB B 2.164 ambi=2 { CB:34.037 } ::sumAvg: 3.695 atom: 328 31E-QB B 2.164 ambi=2 { CB:34.037 } atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } ::sumAvg: 3.695 atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } :: atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } ::sumAvg: 3.795 atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } :: atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } ::sumAvg: 3.795 atom: 231 22I-HG2 G2 0.661 ambi=1 { CG2:16.168 } atom: 575 52I-HB B 1.522 ambi=1 { CB:43.165 } ::sumAvg: 4.675 atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } atom: 244 23P-HD2 D 3.878 ambi=2 { CD:51.472 } :: atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } atom: 245 23P-HD3 D 3.818 ambi=2 { CD:51.472 } ::sumAvg: 4.915 atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } :: atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } ::sumAvg: 4.54 atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } :: atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } ::sumAvg: 4.54 atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } :: atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } ::sumAvg: 4.685 atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } :: atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } ::sumAvg: 4.685 atom: 232 22I-HD1 D1 0.65 ambi=1 { CD1:14.82 } atom: 526 47V-HB B 1.903 ambi=1 { CB:32.807 } ::sumAvg: 4.975 atom: 239 23P-HA A 4.464 ambi=1 { CA:63.528 } atom: 244 23P-HD2 D 3.878 ambi=2 { CD:51.472 } :: atom: 239 23P-HA A 4.464 ambi=1 { CA:63.528 } atom: 245 23P-HD3 D 3.818 ambi=2 { CD:51.472 } ::sumAvg: 3.74 atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } atom: 239 23P-HA A 4.464 ambi=1 { CA:63.528 } :: atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } atom: 239 23P-HA A 4.464 ambi=1 { CA:63.528 } ::sumAvg: 4.655 atom: 255 24L-HG G 1.669 ambi=1 { CG:26.232 } atom: 239 23P-HA A 4.464 ambi=1 { CA:63.528 } ::sumAvg: 3.955 atom: 256 24L-HD1 D1 0.74 ambi=2 { CD1:25.885 } atom: 239 23P-HA A 4.464 ambi=1 { CA:63.528 } :: atom: 257 24L-HD2 D2 0.49 ambi=2 { CD2:22.938 } atom: 239 23P-HA A 4.464 ambi=1 { CA:63.528 } ::sumAvg: 4.45 atom: 240 23P-HB2 B 2.391 ambi=2 { CB:31.306 } atom: 252 24L-HA A 4.345 ambi=1 { CA:55.62 } :: atom: 241 23P-HB3 B 2.065 ambi=2 { CB:31.306 } atom: 252 24L-HA A 4.345 ambi=1 { CA:55.62 } ::sumAvg: 4.875 atom: 282 27H-HB2 B 3.493 ambi=2 { CB:27.172 } atom: 240 23P-HB2 B 2.391 ambi=2 { CB:31.306 } :: atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } atom: 240 23P-HB2 B 2.391 ambi=2 { CB:31.306 } :: atom: 282 27H-HB2 B 3.493 ambi=2 { CB:27.172 } atom: 241 23P-HB3 B 2.065 ambi=2 { CB:31.306 } :: atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } atom: 241 23P-HB3 B 2.065 ambi=2 { CB:31.306 } ::sumAvg: 4.19 atom: 267 25T-HB B 3.994 ambi=1 { CB:68.646 } atom: 251 24L-H N 8.346 ambi=1 { N:125.963 } ::sumAvg: 4.955 atom: 252 24L-HA A 4.345 ambi=1 { CA:55.62 } atom: 548 50E-HA A 4.761 ambi=1 { CA:55.087 } ::sumAvg: 3.45 atom: 548 50E-HA A 4.761 ambi=1 { CA:55.087 } atom: 252 24L-HA A 4.345 ambi=1 { CA:55.62 } ::sumAvg: 3.45 atom: 252 24L-HA A 4.345 ambi=1 { CA:55.62 } atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } ::sumAvg: 4.98 atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } atom: 266 25T-HA A 3.994 ambi=1 { CA:65.305 } :: atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } atom: 266 25T-HA A 3.994 ambi=1 { CA:65.305 } ::sumAvg: 4.205 atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } atom: 267 25T-HB B 3.994 ambi=1 { CB:68.646 } :: atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } atom: 267 25T-HB B 3.994 ambi=1 { CB:68.646 } ::sumAvg: 4.85 atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } atom: 282 27H-HB2 B 3.493 ambi=2 { CB:27.172 } :: atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } :: atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } atom: 282 27H-HB2 B 3.493 ambi=2 { CB:27.172 } :: atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } ::sumAvg: 4.75 atom: 282 27H-HB2 B 3.493 ambi=2 { CB:27.172 } atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } :: atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } :: atom: 282 27H-HB2 B 3.493 ambi=2 { CB:27.172 } atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } :: atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } ::sumAvg: 4.75 atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } :: atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } :: atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } :: atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } ::sumAvg: 4.095 atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } :: atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } :: atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } ::sumAvg: 3.77 atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } :: atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } ::sumAvg: 4 atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } :: atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } ::sumAvg: 3.58 atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } :: atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } ::sumAvg: 4.995 atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } atom: 805 71S-HA A 4.597 ambi=1 { CA:59.886 } :: atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } atom: 805 71S-HA A 4.597 ambi=1 { CA:59.886 } ::sumAvg: 4.49 atom: 805 71S-HA A 4.597 ambi=1 { CA:59.886 } atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } :: atom: 805 71S-HA A 4.597 ambi=1 { CA:59.886 } atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } ::sumAvg: 4.49 atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } :: atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } :: atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } :: atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } ::sumAvg: 4.655 atom: 253 24L-HB2 B 1.616 ambi=2 { CB:42.544 } atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } :: atom: 254 24L-HB3 B 1.388 ambi=2 { CB:42.544 } atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } ::sumAvg: 4.325 atom: 255 24L-HG G 1.669 ambi=1 { CG:26.232 } atom: 265 25T-H N 7.333 ambi=1 { N:115.493 } ::sumAvg: 4.22 atom: 255 24L-HG G 1.669 ambi=1 { CG:26.232 } atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } :: atom: 255 24L-HG G 1.669 ambi=1 { CG:26.232 } atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } ::sumAvg: 4.565 atom: 255 24L-HG G 1.669 ambi=1 { CG:26.232 } atom: 579 52I-HD1 D1 0.632 ambi=1 { CD1:15.05 } ::sumAvg: 4.985 atom: 1000 88I-HG12 G1 1.247 ambi=2 { CG1:28.239 } atom: 255 24L-HG G 1.669 ambi=1 { CG:26.232 } :: atom: 1001 88I-HG13 G1 0.732 ambi=2 { CG1:28.239 } atom: 255 24L-HG G 1.669 ambi=1 { CG:26.232 } ::sumAvg: 4.76 atom: 255 24L-HG G 1.669 ambi=1 { CG:26.232 } atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } ::sumAvg: 3.855 atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } atom: 255 24L-HG G 1.669 ambi=1 { CG:26.232 } ::sumAvg: 3.855 atom: 255 24L-HG G 1.669 ambi=1 { CG:26.232 } atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } ::sumAvg: 4.55 atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } atom: 255 24L-HG G 1.669 ambi=1 { CG:26.232 } ::sumAvg: 4.55 atom: 256 24L-HD1 D1 0.74 ambi=2 { CD1:25.885 } atom: 282 27H-HB2 B 3.493 ambi=2 { CB:27.172 } :: atom: 256 24L-HD1 D1 0.74 ambi=2 { CD1:25.885 } atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } :: atom: 257 24L-HD2 D2 0.49 ambi=2 { CD2:22.938 } atom: 282 27H-HB2 B 3.493 ambi=2 { CB:27.172 } :: atom: 257 24L-HD2 D2 0.49 ambi=2 { CD2:22.938 } atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } ::sumAvg: 4.265 atom: 526 47V-HB B 1.903 ambi=1 { CB:32.807 } atom: 256 24L-HD1 D1 0.74 ambi=2 { CD1:25.885 } :: atom: 526 47V-HB B 1.903 ambi=1 { CB:32.807 } atom: 257 24L-HD2 D2 0.49 ambi=2 { CD2:22.938 } ::sumAvg: 4.515 atom: 256 24L-HD1 D1 0.74 ambi=2 { CD1:25.885 } atom: 535 48D-H N 8.62 ambi=1 { N:127.406 } :: atom: 257 24L-HD2 D2 0.49 ambi=2 { CD2:22.938 } atom: 535 48D-H N 8.62 ambi=1 { N:127.406 } ::sumAvg: 4.66 atom: 548 50E-HA A 4.761 ambi=1 { CA:55.087 } atom: 256 24L-HD1 D1 0.74 ambi=2 { CD1:25.885 } :: atom: 548 50E-HA A 4.761 ambi=1 { CA:55.087 } atom: 257 24L-HD2 D2 0.49 ambi=2 { CD2:22.938 } ::sumAvg: 4.06 atom: 256 24L-HD1 D1 0.74 ambi=2 { CD1:25.885 } atom: 559 51R-QB B 1.761 ambi=2 { CB:34.782 } :: atom: 257 24L-HD2 D2 0.49 ambi=2 { CD2:22.938 } atom: 559 51R-QB B 1.761 ambi=2 { CB:34.782 } ::sumAvg: 4.445 atom: 256 24L-HD1 D1 0.74 ambi=2 { CD1:25.885 } atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } :: atom: 257 24L-HD2 D2 0.49 ambi=2 { CD2:22.938 } atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } ::sumAvg: 4.125 atom: 256 24L-HD1 D1 0.74 ambi=2 { CD1:25.885 } atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } :: atom: 256 24L-HD1 D1 0.74 ambi=2 { CD1:25.885 } atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } :: atom: 257 24L-HD2 D2 0.49 ambi=2 { CD2:22.938 } atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } :: atom: 257 24L-HD2 D2 0.49 ambi=2 { CD2:22.938 } atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } ::sumAvg: 3.88 atom: 256 24L-HD1 D1 0.74 ambi=2 { CD1:25.885 } atom: 812 72K-H N 8.772 ambi=1 { N:124.576 } :: atom: 257 24L-HD2 D2 0.49 ambi=2 { CD2:22.938 } atom: 812 72K-H N 8.772 ambi=1 { N:124.576 } ::sumAvg: 4.745 atom: 999 88I-HB B 2.054 ambi=1 { CB:36.074 } atom: 256 24L-HD1 D1 0.74 ambi=2 { CD1:25.885 } :: atom: 999 88I-HB B 2.054 ambi=1 { CB:36.074 } atom: 257 24L-HD2 D2 0.49 ambi=2 { CD2:22.938 } ::sumAvg: 4.595 atom: 548 50E-HA A 4.761 ambi=1 { CA:55.087 } atom: 265 25T-H N 7.333 ambi=1 { N:115.493 } ::sumAvg: 4.425 atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } atom: 265 25T-H N 7.333 ambi=1 { N:115.493 } :: atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } atom: 265 25T-H N 7.333 ambi=1 { N:115.493 } ::sumAvg: 4.44 atom: 548 50E-HA A 4.761 ambi=1 { CA:55.087 } atom: 266 25T-HA A 3.994 ambi=1 { CA:65.305 } ::sumAvg: 3.67 atom: 267 25T-HB B 3.994 ambi=1 { CB:68.646 } atom: 1039 91T-HG2 G2 1.123 ambi=1 { CG2:22.102 } ::sumAvg: 4.625 atom: 1039 91T-HG2 G2 1.123 ambi=1 { CG2:22.102 } atom: 267 25T-HB B 3.994 ambi=1 { CB:68.646 } ::sumAvg: 4.625 atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } atom: 268 25T-HG2 G2 1.406 ambi=1 { CG2:22.733 } :: atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } atom: 268 25T-HG2 G2 1.406 ambi=1 { CG2:22.733 } ::sumAvg: 3.905 atom: 282 27H-HB2 B 3.493 ambi=2 { CB:27.172 } atom: 274 26G-H N 9.718 ambi=1 { N:117.796 } :: atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } atom: 274 26G-H N 9.718 ambi=1 { N:117.796 } ::sumAvg: 4.82 atom: 548 50E-HA A 4.761 ambi=1 { CA:55.087 } atom: 274 26G-H N 9.718 ambi=1 { N:117.796 } ::sumAvg: 4.13 atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } atom: 274 26G-H N 9.718 ambi=1 { N:117.796 } :: atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } atom: 274 26G-H N 9.718 ambi=1 { N:117.796 } ::sumAvg: 3.755 atom: 276 26G-HA3 A 3.649 ambi=2 { CA:45.323 } atom: 281 27H-HA A 4.271 ambi=1 { CA:58.235 } ::sumAvg: 4.455 atom: 281 27H-HA A 4.271 ambi=1 { CA:58.235 } atom: 276 26G-HA3 A 3.649 ambi=2 { CA:45.323 } ::sumAvg: 4.455 atom: 275 26G-HA2 A 4.222 ambi=2 { CA:45.323 } atom: 551 50E-HG2 G 2.682 ambi=2 { CG:36.814 } :: atom: 275 26G-HA2 A 4.222 ambi=2 { CA:45.323 } atom: 552 50E-HG3 G 2.449 ambi=2 { CG:36.814 } :: atom: 276 26G-HA3 A 3.649 ambi=2 { CA:45.323 } atom: 551 50E-HG2 G 2.682 ambi=2 { CG:36.814 } :: atom: 276 26G-HA3 A 3.649 ambi=2 { CA:45.323 } atom: 552 50E-HG3 G 2.449 ambi=2 { CG:36.814 } ::sumAvg: 4.045 atom: 551 50E-HG2 G 2.682 ambi=2 { CG:36.814 } atom: 275 26G-HA2 A 4.222 ambi=2 { CA:45.323 } :: atom: 552 50E-HG3 G 2.449 ambi=2 { CG:36.814 } atom: 275 26G-HA2 A 4.222 ambi=2 { CA:45.323 } :: atom: 551 50E-HG2 G 2.682 ambi=2 { CG:36.814 } atom: 276 26G-HA3 A 3.649 ambi=2 { CA:45.323 } :: atom: 552 50E-HG3 G 2.449 ambi=2 { CG:36.814 } atom: 276 26G-HA3 A 3.649 ambi=2 { CA:45.323 } ::sumAvg: 4.045 atom: 548 50E-HA A 4.761 ambi=1 { CA:55.087 } atom: 280 27H-H N 8.12 ambi=1 { N:120.928 } ::sumAvg: 3.645 atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } atom: 280 27H-H N 8.12 ambi=1 { N:120.928 } :: atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } atom: 280 27H-H N 8.12 ambi=1 { N:120.928 } ::sumAvg: 4.97 atom: 281 27H-HA A 4.271 ambi=1 { CA:58.235 } atom: 294 28K-HB2 B 1.653 ambi=2 { CB:35.012 } :: atom: 281 27H-HA A 4.271 ambi=1 { CA:58.235 } atom: 295 28K-HB3 B 1.581 ambi=2 { CB:35.012 } ::sumAvg: 4.71 atom: 294 28K-HB2 B 1.653 ambi=2 { CB:35.012 } atom: 281 27H-HA A 4.271 ambi=1 { CA:58.235 } :: atom: 295 28K-HB3 B 1.581 ambi=2 { CB:35.012 } atom: 281 27H-HA A 4.271 ambi=1 { CA:58.235 } ::sumAvg: 4.71 atom: 281 27H-HA A 4.271 ambi=1 { CA:58.235 } atom: 296 28K-HG2 G 1.388 ambi=2 { CG:24.404 } :: atom: 281 27H-HA A 4.271 ambi=1 { CA:58.235 } atom: 297 28K-HG3 G 1.308 ambi=2 { CG:24.404 } ::sumAvg: 4.8 atom: 281 27H-HA A 4.271 ambi=1 { CA:58.235 } atom: 298 28K-QD D 1.591 ambi=2 { CD:28.696 } ::sumAvg: 4.56 atom: 298 28K-QD D 1.591 ambi=2 { CD:28.696 } atom: 281 27H-HA A 4.271 ambi=1 { CA:58.235 } ::sumAvg: 4.56 atom: 282 27H-HB2 B 3.493 ambi=2 { CB:27.172 } atom: 285 27H-HE1 E1 7.981 ambi=1 { CE1:134.53 } :: atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } atom: 285 27H-HE1 E1 7.981 ambi=1 { CE1:134.53 } ::sumAvg: 4.77 atom: 282 27H-HB2 B 3.493 ambi=2 { CB:27.172 } atom: 545 49G-HA3 A 3.987 ambi=2 { CA:47.577 } :: atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } atom: 544 49G-HA2 A 3.857 ambi=2 { CA:47.577 } :: atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } atom: 545 49G-HA3 A 3.987 ambi=2 { CA:47.577 } ::sumAvg: 4.88 atom: 545 49G-HA3 A 3.987 ambi=2 { CA:47.577 } atom: 282 27H-HB2 B 3.493 ambi=2 { CB:27.172 } :: atom: 544 49G-HA2 A 3.857 ambi=2 { CA:47.577 } atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } :: atom: 545 49G-HA3 A 3.987 ambi=2 { CA:47.577 } atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } ::sumAvg: 4.88 atom: 548 50E-HA A 4.761 ambi=1 { CA:55.087 } atom: 282 27H-HB2 B 3.493 ambi=2 { CB:27.172 } :: atom: 548 50E-HA A 4.761 ambi=1 { CA:55.087 } atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } ::sumAvg: 3.25 atom: 282 27H-HB2 B 3.493 ambi=2 { CB:27.172 } atom: 551 50E-HG2 G 2.682 ambi=2 { CG:36.814 } :: atom: 282 27H-HB2 B 3.493 ambi=2 { CB:27.172 } atom: 552 50E-HG3 G 2.449 ambi=2 { CG:36.814 } :: atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } atom: 551 50E-HG2 G 2.682 ambi=2 { CG:36.814 } :: atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } atom: 552 50E-HG3 G 2.449 ambi=2 { CG:36.814 } ::sumAvg: 4.135 atom: 328 31E-QB B 2.164 ambi=2 { CB:34.037 } atom: 284 27H-HD2 D2 7.527 ambi=1 { CD2:121.194 } ::sumAvg: 4.56 atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } atom: 284 27H-HD2 D2 7.527 ambi=1 { CD2:121.194 } :: atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } atom: 284 27H-HD2 D2 7.527 ambi=1 { CD2:121.194 } ::sumAvg: 4.26 atom: 310 29G-HA2 A 4.058 ambi=2 { CA:44.45 } atom: 285 27H-HE1 E1 7.981 ambi=1 { CE1:134.53 } :: atom: 311 29G-HA3 A 3.777 ambi=2 { CA:44.45 } atom: 285 27H-HE1 E1 7.981 ambi=1 { CE1:134.53 } ::sumAvg: 4.835 atom: 300 28K-QE E 2.952 ambi=2 { CE:42.299 } atom: 292 28K-H N 8.052 ambi=1 { N:127.192 } ::sumAvg: 4.08 atom: 293 28K-HA A 4.534 ambi=1 { CA:54.367 } atom: 300 28K-QE E 2.952 ambi=2 { CE:42.299 } ::sumAvg: 3.79 atom: 300 28K-QE E 2.952 ambi=2 { CE:42.299 } atom: 293 28K-HA A 4.534 ambi=1 { CA:54.367 } ::sumAvg: 3.79 atom: 293 28K-HA A 4.534 ambi=1 { CA:54.367 } atom: 543 49G-H N 9.212 ambi=1 { N:115.426 } ::sumAvg: 4.44 atom: 293 28K-HA A 4.534 ambi=1 { CA:54.367 } atom: 551 50E-HG2 G 2.682 ambi=2 { CG:36.814 } :: atom: 293 28K-HA A 4.534 ambi=1 { CA:54.367 } atom: 552 50E-HG3 G 2.449 ambi=2 { CG:36.814 } ::sumAvg: 4.69 atom: 551 50E-HG2 G 2.682 ambi=2 { CG:36.814 } atom: 293 28K-HA A 4.534 ambi=1 { CA:54.367 } :: atom: 552 50E-HG3 G 2.449 ambi=2 { CG:36.814 } atom: 293 28K-HA A 4.534 ambi=1 { CA:54.367 } ::sumAvg: 4.69 atom: 294 28K-HB2 B 1.653 ambi=2 { CB:35.012 } atom: 310 29G-HA2 A 4.058 ambi=2 { CA:44.45 } :: atom: 294 28K-HB2 B 1.653 ambi=2 { CB:35.012 } atom: 311 29G-HA3 A 3.777 ambi=2 { CA:44.45 } :: atom: 295 28K-HB3 B 1.581 ambi=2 { CB:35.012 } atom: 310 29G-HA2 A 4.058 ambi=2 { CA:44.45 } :: atom: 295 28K-HB3 B 1.581 ambi=2 { CB:35.012 } atom: 311 29G-HA3 A 3.777 ambi=2 { CA:44.45 } ::sumAvg: 4.34 atom: 310 29G-HA2 A 4.058 ambi=2 { CA:44.45 } atom: 294 28K-HB2 B 1.653 ambi=2 { CB:35.012 } :: atom: 311 29G-HA3 A 3.777 ambi=2 { CA:44.45 } atom: 294 28K-HB2 B 1.653 ambi=2 { CB:35.012 } :: atom: 310 29G-HA2 A 4.058 ambi=2 { CA:44.45 } atom: 295 28K-HB3 B 1.581 ambi=2 { CB:35.012 } :: atom: 311 29G-HA3 A 3.777 ambi=2 { CA:44.45 } atom: 295 28K-HB3 B 1.581 ambi=2 { CB:35.012 } ::sumAvg: 4.34 atom: 300 28K-QE E 2.952 ambi=2 { CE:42.299 } atom: 309 29G-H N 8.559 ambi=1 { N:108.577 } ::sumAvg: 4.8 atom: 544 49G-HA2 A 3.857 ambi=2 { CA:47.577 } atom: 309 29G-H N 8.559 ambi=1 { N:108.577 } :: atom: 545 49G-HA3 A 3.987 ambi=2 { CA:47.577 } atom: 309 29G-H N 8.559 ambi=1 { N:108.577 } ::sumAvg: 3.045 atom: 310 29G-HA2 A 4.058 ambi=2 { CA:44.45 } atom: 316 30N-HA A 5.94 ambi=1 { CA:53.456 } :: atom: 311 29G-HA3 A 3.777 ambi=2 { CA:44.45 } atom: 316 30N-HA A 5.94 ambi=1 { CA:53.456 } ::sumAvg: 4.445 atom: 316 30N-HA A 5.94 ambi=1 { CA:53.456 } atom: 310 29G-HA2 A 4.058 ambi=2 { CA:44.45 } :: atom: 316 30N-HA A 5.94 ambi=1 { CA:53.456 } atom: 311 29G-HA3 A 3.777 ambi=2 { CA:44.45 } ::sumAvg: 4.445 atom: 317 30N-QB B 2.677 ambi=2 { CB:43.365 } atom: 310 29G-HA2 A 4.058 ambi=2 { CA:44.45 } :: atom: 317 30N-QB B 2.677 ambi=2 { CB:43.365 } atom: 311 29G-HA3 A 3.777 ambi=2 { CA:44.45 } ::sumAvg: 4.035 atom: 310 29G-HA2 A 4.058 ambi=2 { CA:44.45 } atom: 543 49G-H N 9.212 ambi=1 { N:115.426 } :: atom: 311 29G-HA3 A 3.777 ambi=2 { CA:44.45 } atom: 543 49G-H N 9.212 ambi=1 { N:115.426 } ::sumAvg: 4.485 atom: 328 31E-QB B 2.164 ambi=2 { CB:34.037 } atom: 315 30N-H N 8.532 ambi=1 { N:120.207 } ::sumAvg: 4.82 atom: 316 30N-HA A 5.94 ambi=1 { CA:53.456 } atom: 327 31E-HA A 4.896 ambi=1 { CA:55.488 } ::sumAvg: 4.465 atom: 327 31E-HA A 4.896 ambi=1 { CA:55.488 } atom: 316 30N-HA A 5.94 ambi=1 { CA:53.456 } ::sumAvg: 4.465 atom: 328 31E-QB B 2.164 ambi=2 { CB:34.037 } atom: 316 30N-HA A 5.94 ambi=1 { CA:53.456 } ::sumAvg: 3.97 atom: 316 30N-HA A 5.94 ambi=1 { CA:53.456 } atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } ::sumAvg: 4.98 atom: 316 30N-HA A 5.94 ambi=1 { CA:53.456 } atom: 526 47V-HB B 1.903 ambi=1 { CB:32.807 } ::sumAvg: 4.61 atom: 526 47V-HB B 1.903 ambi=1 { CB:32.807 } atom: 316 30N-HA A 5.94 ambi=1 { CA:53.456 } ::sumAvg: 4.61 atom: 316 30N-HA A 5.94 ambi=1 { CA:53.456 } atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } :: atom: 316 30N-HA A 5.94 ambi=1 { CA:53.456 } atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } ::sumAvg: 4.525 atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } atom: 316 30N-HA A 5.94 ambi=1 { CA:53.456 } :: atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } atom: 316 30N-HA A 5.94 ambi=1 { CA:53.456 } ::sumAvg: 4.525 atom: 316 30N-HA A 5.94 ambi=1 { CA:53.456 } atom: 535 48D-H N 8.62 ambi=1 { N:127.406 } ::sumAvg: 4.905 atom: 537 48D-HB2 B 2.416 ambi=2 { CB:46.076 } atom: 316 30N-HA A 5.94 ambi=1 { CA:53.456 } :: atom: 538 48D-HB3 B 2.521 ambi=2 { CB:46.076 } atom: 316 30N-HA A 5.94 ambi=1 { CA:53.456 } ::sumAvg: 4.205 atom: 317 30N-QB B 2.677 ambi=2 { CB:43.365 } atom: 327 31E-HA A 4.896 ambi=1 { CA:55.488 } ::sumAvg: 4.51 atom: 327 31E-HA A 4.896 ambi=1 { CA:55.488 } atom: 317 30N-QB B 2.677 ambi=2 { CB:43.365 } ::sumAvg: 4.51 atom: 317 30N-QB B 2.677 ambi=2 { CB:43.365 } atom: 328 31E-QB B 2.164 ambi=2 { CB:34.037 } ::sumAvg: 4.975 atom: 328 31E-QB B 2.164 ambi=2 { CB:34.037 } atom: 317 30N-QB B 2.677 ambi=2 { CB:43.365 } ::sumAvg: 4.975 atom: 317 30N-QB B 2.677 ambi=2 { CB:43.365 } atom: 341 32Q-HG2 G 2.205 ambi=2 { CG:34.092 } ::sumAvg: 4.655 atom: 341 32Q-HG2 G 2.205 ambi=2 { CG:34.092 } atom: 317 30N-QB B 2.677 ambi=2 { CB:43.365 } ::sumAvg: 4.655 atom: 317 30N-QB B 2.677 ambi=2 { CB:43.365 } atom: 343 32Q-HE21 E2 7.815 ambi=2 { NE2:111.756 } :: atom: 317 30N-QB B 2.677 ambi=2 { CB:43.365 } atom: 344 32Q-HE22 E2 6.701 ambi=2 { NE2:111.756 } ::sumAvg: 4.98 atom: 317 30N-QB B 2.677 ambi=2 { CB:43.365 } atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } ::sumAvg: 3.64 atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } atom: 317 30N-QB B 2.677 ambi=2 { CB:43.365 } ::sumAvg: 3.64 atom: 341 32Q-HG2 G 2.205 ambi=2 { CG:34.092 } atom: 319 30N-HD21 D2 9.236 ambi=2 { ND2:117.057 } :: atom: 342 32Q-HG3 G 2.548 ambi=2 { CG:34.092 } atom: 319 30N-HD21 D2 9.236 ambi=2 { ND2:117.057 } :: atom: 341 32Q-HG2 G 2.205 ambi=2 { CG:34.092 } atom: 320 30N-HD22 D2 8.437 ambi=2 { ND2:117.057 } :: atom: 342 32Q-HG3 G 2.548 ambi=2 { CG:34.092 } atom: 320 30N-HD22 D2 8.437 ambi=2 { ND2:117.057 } ::sumAvg: 3.685 atom: 514 46E-HA A 5.068 ambi=1 { CA:54.592 } atom: 319 30N-HD21 D2 9.236 ambi=2 { ND2:117.057 } :: atom: 514 46E-HA A 5.068 ambi=1 { CA:54.592 } atom: 320 30N-HD22 D2 8.437 ambi=2 { ND2:117.057 } ::sumAvg: 4.565 atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } atom: 326 31E-H N 9.531 ambi=1 { N:126.516 } ::sumAvg: 4.765 atom: 514 46E-HA A 5.068 ambi=1 { CA:54.592 } atom: 326 31E-H N 9.531 ambi=1 { N:126.516 } ::sumAvg: 4.755 atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 326 31E-H N 9.531 ambi=1 { N:126.516 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 326 31E-H N 9.531 ambi=1 { N:126.516 } ::sumAvg: 4.195 atom: 525 47V-HA A 5.053 ambi=1 { CA:60.26 } atom: 326 31E-H N 9.531 ambi=1 { N:126.516 } ::sumAvg: 4.67 atom: 537 48D-HB2 B 2.416 ambi=2 { CB:46.076 } atom: 326 31E-H N 9.531 ambi=1 { N:126.516 } :: atom: 538 48D-HB3 B 2.521 ambi=2 { CB:46.076 } atom: 326 31E-H N 9.531 ambi=1 { N:126.516 } ::sumAvg: 4.74 atom: 327 31E-HA A 4.896 ambi=1 { CA:55.488 } atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } ::sumAvg: 4.445 atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } atom: 327 31E-HA A 4.896 ambi=1 { CA:55.488 } ::sumAvg: 4.445 atom: 327 31E-HA A 4.896 ambi=1 { CA:55.488 } atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } ::sumAvg: 4.745 atom: 526 47V-HB B 1.903 ambi=1 { CB:32.807 } atom: 327 31E-HA A 4.896 ambi=1 { CA:55.488 } ::sumAvg: 4.76 atom: 525 47V-HA A 5.053 ambi=1 { CA:60.26 } atom: 328 31E-QB B 2.164 ambi=2 { CB:34.037 } ::sumAvg: 4.87 atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } :: atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } ::sumAvg: 4.02 atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } :: atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } ::sumAvg: 4.02 atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } atom: 351 33F-H N 8.318 ambi=1 { N:117.447 } :: atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } atom: 351 33F-H N 8.318 ambi=1 { N:117.447 } ::sumAvg: 4.84 atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } :: atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } :: atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } :: atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } ::sumAvg: 4.195 atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } :: atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } :: atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } :: atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } ::sumAvg: 4.195 atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } :: atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } ::sumAvg: 4.4 atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } atom: 526 47V-HB B 1.903 ambi=1 { CB:32.807 } :: atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } atom: 526 47V-HB B 1.903 ambi=1 { CB:32.807 } ::sumAvg: 3.895 atom: 526 47V-HB B 1.903 ambi=1 { CB:32.807 } atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } :: atom: 526 47V-HB B 1.903 ambi=1 { CB:32.807 } atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } ::sumAvg: 3.895 atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } atom: 337 32Q-H N 8.823 ambi=1 { N:122.567 } :: atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } atom: 337 32Q-H N 8.823 ambi=1 { N:122.567 } ::sumAvg: 4.98 atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } atom: 343 32Q-HE21 E2 7.815 ambi=2 { NE2:111.756 } :: atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } atom: 344 32Q-HE22 E2 6.701 ambi=2 { NE2:111.756 } ::sumAvg: 4.8 atom: 352 33F-HA A 5.026 ambi=1 { CA:56.082 } atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } ::sumAvg: 4.45 atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } :: atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } ::sumAvg: 4.595 atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } :: atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } ::sumAvg: 4.595 atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } atom: 500 45M-H N 9.007 ambi=1 { N:126.006 } ::sumAvg: 4.995 atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } :: atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } ::sumAvg: 4.63 atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } :: atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } ::sumAvg: 4.63 atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } atom: 513 46E-H N 8.642 ambi=1 { N:120.778 } ::sumAvg: 4.93 atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } :: atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } ::sumAvg: 4.2 atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } ::sumAvg: 4.04 atom: 339 32Q-HB2 B 2.137 ambi=2 { CB:32.484 } atom: 343 32Q-HE21 E2 7.815 ambi=2 { NE2:111.756 } :: atom: 339 32Q-HB2 B 2.137 ambi=2 { CB:32.484 } atom: 344 32Q-HE22 E2 6.701 ambi=2 { NE2:111.756 } :: atom: 340 32Q-HB3 B 1.78 ambi=2 { CB:32.484 } atom: 343 32Q-HE21 E2 7.815 ambi=2 { NE2:111.756 } :: atom: 340 32Q-HB3 B 1.78 ambi=2 { CB:32.484 } atom: 344 32Q-HE22 E2 6.701 ambi=2 { NE2:111.756 } ::sumAvg: 3.545 atom: 339 32Q-HB2 B 2.137 ambi=2 { CB:32.484 } atom: 490 44L-HG G 1.365 ambi=1 { CG:27.903 } :: atom: 340 32Q-HB3 B 1.78 ambi=2 { CB:32.484 } atom: 490 44L-HG G 1.365 ambi=1 { CG:27.903 } ::sumAvg: 4.115 atom: 490 44L-HG G 1.365 ambi=1 { CG:27.903 } atom: 339 32Q-HB2 B 2.137 ambi=2 { CB:32.484 } :: atom: 490 44L-HG G 1.365 ambi=1 { CG:27.903 } atom: 340 32Q-HB3 B 1.78 ambi=2 { CB:32.484 } ::sumAvg: 4.115 atom: 340 32Q-HB3 B 1.78 ambi=2 { CB:32.484 } atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } ::sumAvg: 4.425 atom: 339 32Q-HB2 B 2.137 ambi=2 { CB:32.484 } atom: 623 55K-HD2 D 1.644 ambi=2 { CD:28.841 } :: atom: 339 32Q-HB2 B 2.137 ambi=2 { CB:32.484 } atom: 624 55K-HD3 D 1.3 ambi=2 { CD:28.841 } :: atom: 340 32Q-HB3 B 1.78 ambi=2 { CB:32.484 } atom: 624 55K-HD3 D 1.3 ambi=2 { CD:28.841 } ::sumAvg: 4.68 atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 341 32Q-HG2 G 2.205 ambi=2 { CG:34.092 } :: atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } atom: 341 32Q-HG2 G 2.205 ambi=2 { CG:34.092 } :: atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 342 32Q-HG3 G 2.548 ambi=2 { CG:34.092 } :: atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } atom: 342 32Q-HG3 G 2.548 ambi=2 { CG:34.092 } ::sumAvg: 2.82 atom: 341 32Q-HG2 G 2.205 ambi=2 { CG:34.092 } atom: 623 55K-HD2 D 1.644 ambi=2 { CD:28.841 } :: atom: 341 32Q-HG2 G 2.205 ambi=2 { CG:34.092 } atom: 624 55K-HD3 D 1.3 ambi=2 { CD:28.841 } :: atom: 342 32Q-HG3 G 2.548 ambi=2 { CG:34.092 } atom: 623 55K-HD2 D 1.644 ambi=2 { CD:28.841 } :: atom: 342 32Q-HG3 G 2.548 ambi=2 { CG:34.092 } atom: 624 55K-HD3 D 1.3 ambi=2 { CD:28.841 } ::sumAvg: 4.065 atom: 491 44L-HD1 D1 0.828 ambi=2 { CD1:23.743 } atom: 343 32Q-HE21 E2 7.815 ambi=2 { NE2:111.756 } :: atom: 492 44L-HD2 D2 0.839 ambi=2 { CD2:25.965 } atom: 343 32Q-HE21 E2 7.815 ambi=2 { NE2:111.756 } :: atom: 491 44L-HD1 D1 0.828 ambi=2 { CD1:23.743 } atom: 344 32Q-HE22 E2 6.701 ambi=2 { NE2:111.756 } :: atom: 492 44L-HD2 D2 0.839 ambi=2 { CD2:25.965 } atom: 344 32Q-HE22 E2 6.701 ambi=2 { NE2:111.756 } ::sumAvg: 4.705 atom: 514 46E-HA A 5.068 ambi=1 { CA:54.592 } atom: 343 32Q-HE21 E2 7.815 ambi=2 { NE2:111.756 } :: atom: 514 46E-HA A 5.068 ambi=1 { CA:54.592 } atom: 344 32Q-HE22 E2 6.701 ambi=2 { NE2:111.756 } ::sumAvg: 4.625 atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 343 32Q-HE21 E2 7.815 ambi=2 { NE2:111.756 } :: atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } atom: 343 32Q-HE21 E2 7.815 ambi=2 { NE2:111.756 } :: atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 344 32Q-HE22 E2 6.701 ambi=2 { NE2:111.756 } :: atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } atom: 344 32Q-HE22 E2 6.701 ambi=2 { NE2:111.756 } ::sumAvg: 4.005 atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 343 32Q-HE21 E2 7.815 ambi=2 { NE2:111.756 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 343 32Q-HE21 E2 7.815 ambi=2 { NE2:111.756 } :: atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 344 32Q-HE22 E2 6.701 ambi=2 { NE2:111.756 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 344 32Q-HE22 E2 6.701 ambi=2 { NE2:111.756 } ::sumAvg: 2.895 atom: 623 55K-HD2 D 1.644 ambi=2 { CD:28.841 } atom: 343 32Q-HE21 E2 7.815 ambi=2 { NE2:111.756 } :: atom: 624 55K-HD3 D 1.3 ambi=2 { CD:28.841 } atom: 343 32Q-HE21 E2 7.815 ambi=2 { NE2:111.756 } :: atom: 623 55K-HD2 D 1.644 ambi=2 { CD:28.841 } atom: 344 32Q-HE22 E2 6.701 ambi=2 { NE2:111.756 } :: atom: 624 55K-HD3 D 1.3 ambi=2 { CD:28.841 } atom: 344 32Q-HE22 E2 6.701 ambi=2 { NE2:111.756 } ::sumAvg: 3.535 atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } atom: 351 33F-H N 8.318 ambi=1 { N:117.447 } ::sumAvg: 4.7 atom: 487 44L-HA A 4.76 ambi=1 { CA:55.196 } atom: 351 33F-H N 8.318 ambi=1 { N:117.447 } ::sumAvg: 4.76 atom: 490 44L-HG G 1.365 ambi=1 { CG:27.903 } atom: 351 33F-H N 8.318 ambi=1 { N:117.447 } ::sumAvg: 4.915 atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 351 33F-H N 8.318 ambi=1 { N:117.447 } ::sumAvg: 4.95 atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } atom: 351 33F-H N 8.318 ambi=1 { N:117.447 } :: atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } atom: 351 33F-H N 8.318 ambi=1 { N:117.447 } ::sumAvg: 4.86 atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } :: atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } ::sumAvg: 4.78 atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } :: atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } atom: 382 35I-HG13 G1 1.241 ambi=2 { CG1:26.835 } :: atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } :: atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } atom: 382 35I-HG13 G1 1.241 ambi=2 { CG1:26.835 } ::sumAvg: 4.805 atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } :: atom: 382 35I-HG13 G1 1.241 ambi=2 { CG1:26.835 } atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } :: atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } :: atom: 382 35I-HG13 G1 1.241 ambi=2 { CG1:26.835 } atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } ::sumAvg: 4.805 atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } atom: 384 35I-HD1 D1 0.909 ambi=1 { CD1:14.495 } :: atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } atom: 384 35I-HD1 D1 0.909 ambi=1 { CD1:14.495 } ::sumAvg: 4.88 atom: 384 35I-HD1 D1 0.909 ambi=1 { CD1:14.495 } atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } :: atom: 384 35I-HD1 D1 0.909 ambi=1 { CD1:14.495 } atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } ::sumAvg: 4.88 atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } :: atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } :: atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } :: atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } ::sumAvg: 4.98 atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } :: atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } atom: 353 33F-HB2 B 3.334 ambi=2 { CB:40.025 } :: atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } :: atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } atom: 354 33F-HB3 B 3.026 ambi=2 { CB:40.025 } ::sumAvg: 4.98 atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } atom: 356 33F-QD D 6.881 ambi=3 { CD2:133.225 } ::sumAvg: 4.53 atom: 379 35I-HA A 4.4 ambi=1 { CA:59.828 } atom: 356 33F-QD D 6.881 ambi=3 { CD2:133.225 } ::sumAvg: 4.42 atom: 514 46E-HA A 5.068 ambi=1 { CA:54.592 } atom: 356 33F-QD D 6.881 ambi=3 { CD2:133.225 } ::sumAvg: 4.72 atom: 514 46E-HA A 5.068 ambi=1 { CA:54.592 } atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } ::sumAvg: 4.895 atom: 526 47V-HB B 1.903 ambi=1 { CB:32.807 } atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } ::sumAvg: 4.5 atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } :: atom: 577 52I-HG13 G1 0.714 ambi=2 { CG1:28.769 } atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } ::sumAvg: 4.23 atom: 978 86V-HG1 G1 0.617 ambi=2 { CG1:20.486 } atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } :: atom: 979 86V-HG2 G2 0.679 ambi=2 { CG2:20.698 } atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } ::sumAvg: 4.785 atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } :: atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } ::sumAvg: 3.23 atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } :: atom: 577 52I-HG13 G1 0.714 ambi=2 { CG1:28.769 } atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } ::sumAvg: 4.94 atom: 978 86V-HG1 G1 0.617 ambi=2 { CG1:20.486 } atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } :: atom: 979 86V-HG2 G2 0.679 ambi=2 { CG2:20.698 } atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } ::sumAvg: 4.8 atom: 487 44L-HA A 4.76 ambi=1 { CA:55.196 } atom: 369 34T-H N 9.075 ambi=1 { N:118.314 } ::sumAvg: 4.87 atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } atom: 379 35I-HA A 4.4 ambi=1 { CA:59.828 } ::sumAvg: 4.44 atom: 379 35I-HA A 4.4 ambi=1 { CA:59.828 } atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } ::sumAvg: 4.44 atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } atom: 380 35I-HB B 1.815 ambi=1 { CB:39.56 } ::sumAvg: 4.665 atom: 380 35I-HB B 1.815 ambi=1 { CB:39.56 } atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } ::sumAvg: 4.665 atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } atom: 384 35I-HD1 D1 0.909 ambi=1 { CD1:14.495 } ::sumAvg: 4.055 atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } :: atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } atom: 462 42Y-HB3 B 2.691 ambi=2 { CB:41.359 } ::sumAvg: 4.92 atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } :: atom: 462 42Y-HB3 B 2.691 ambi=2 { CB:41.359 } atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } ::sumAvg: 4.92 atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } atom: 463 42Y-QD D 6.932 ambi=3 { CD1:133.373 } ::sumAvg: 4.53 atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } ::sumAvg: 4.845 atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } ::sumAvg: 4.845 atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } atom: 486 44L-H N 9.374 ambi=1 { N:128.409 } ::sumAvg: 4.715 atom: 488 44L-HB2 B 2.234 ambi=2 { CB:42.567 } atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } :: atom: 489 44L-HB3 B 1.38 ambi=2 { CB:42.567 } atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } ::sumAvg: 4.125 atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } :: atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } ::sumAvg: 4.835 atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } :: atom: 370 34T-HA A 5.021 ambi=1 { CA:62.404 } atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } ::sumAvg: 4.36 atom: 371 34T-HB B 3.971 ambi=1 { CB:70.189 } atom: 379 35I-HA A 4.4 ambi=1 { CA:59.828 } ::sumAvg: 4.935 atom: 379 35I-HA A 4.4 ambi=1 { CA:59.828 } atom: 371 34T-HB B 3.971 ambi=1 { CB:70.189 } ::sumAvg: 4.935 atom: 371 34T-HB B 3.971 ambi=1 { CB:70.189 } atom: 396 36K-HG2 G 1.548 ambi=2 { CG:25.127 } :: atom: 371 34T-HB B 3.971 ambi=1 { CB:70.189 } atom: 397 36K-HG3 G 1.443 ambi=2 { CG:25.127 } ::sumAvg: 4.425 atom: 371 34T-HB B 3.971 ambi=1 { CB:70.189 } atom: 398 36K-QD D 1.731 ambi=2 { CD:28.717 } ::sumAvg: 4.63 atom: 398 36K-QD D 1.731 ambi=2 { CD:28.717 } atom: 371 34T-HB B 3.971 ambi=1 { CB:70.189 } ::sumAvg: 4.63 atom: 400 36K-QE E 3.023 ambi=2 { CE:41.951 } atom: 371 34T-HB B 3.971 ambi=1 { CB:70.189 } ::sumAvg: 4.04 atom: 371 34T-HB B 3.971 ambi=1 { CB:70.189 } atom: 491 44L-HD1 D1 0.828 ambi=2 { CD1:23.743 } :: atom: 371 34T-HB B 3.971 ambi=1 { CB:70.189 } atom: 492 44L-HD2 D2 0.839 ambi=2 { CD2:25.965 } ::sumAvg: 4.155 atom: 491 44L-HD1 D1 0.828 ambi=2 { CD1:23.743 } atom: 371 34T-HB B 3.971 ambi=1 { CB:70.189 } :: atom: 492 44L-HD2 D2 0.839 ambi=2 { CD2:25.965 } atom: 371 34T-HB B 3.971 ambi=1 { CB:70.189 } ::sumAvg: 4.155 atom: 379 35I-HA A 4.4 ambi=1 { CA:59.828 } atom: 372 34T-HG2 G2 1.12 ambi=1 { CG2:22.656 } ::sumAvg: 3.93 atom: 380 35I-HB B 1.815 ambi=1 { CB:39.56 } atom: 372 34T-HG2 G2 1.12 ambi=1 { CG2:22.656 } ::sumAvg: 4.56 atom: 372 34T-HG2 G2 1.12 ambi=1 { CG2:22.656 } atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } ::sumAvg: 4.985 atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } atom: 372 34T-HG2 G2 1.12 ambi=1 { CG2:22.656 } ::sumAvg: 4.985 atom: 393 36K-HA A 4.627 ambi=1 { CA:56.355 } atom: 372 34T-HG2 G2 1.12 ambi=1 { CG2:22.656 } ::sumAvg: 3.655 atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 372 34T-HG2 G2 1.12 ambi=1 { CG2:22.656 } ::sumAvg: 4.535 atom: 372 34T-HG2 G2 1.12 ambi=1 { CG2:22.656 } atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } ::sumAvg: 4.53 atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } atom: 372 34T-HG2 G2 1.12 ambi=1 { CG2:22.656 } ::sumAvg: 4.53 atom: 487 44L-HA A 4.76 ambi=1 { CA:55.196 } atom: 372 34T-HG2 G2 1.12 ambi=1 { CG2:22.656 } ::sumAvg: 3.21 atom: 372 34T-HG2 G2 1.12 ambi=1 { CG2:22.656 } atom: 488 44L-HB2 B 2.234 ambi=2 { CB:42.567 } ::sumAvg: 3.445 atom: 372 34T-HG2 G2 1.12 ambi=1 { CG2:22.656 } atom: 500 45M-H N 9.007 ambi=1 { N:126.006 } ::sumAvg: 4.65 atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } atom: 378 35I-H N 9.081 ambi=1 { N:127.131 } :: atom: 462 42Y-HB3 B 2.691 ambi=2 { CB:41.359 } atom: 378 35I-H N 9.081 ambi=1 { N:127.131 } ::sumAvg: 4.375 atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 378 35I-H N 9.081 ambi=1 { N:127.131 } ::sumAvg: 4.715 atom: 487 44L-HA A 4.76 ambi=1 { CA:55.196 } atom: 378 35I-H N 9.081 ambi=1 { N:127.131 } ::sumAvg: 3.485 atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } atom: 378 35I-H N 9.081 ambi=1 { N:127.131 } :: atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } atom: 378 35I-H N 9.081 ambi=1 { N:127.131 } ::sumAvg: 3.75 atom: 394 36K-HB2 B 1.793 ambi=2 { CB:33.397 } atom: 379 35I-HA A 4.4 ambi=1 { CA:59.828 } :: atom: 395 36K-HB3 B 2.012 ambi=2 { CB:33.397 } atom: 379 35I-HA A 4.4 ambi=1 { CA:59.828 } ::sumAvg: 4.6 atom: 379 35I-HA A 4.4 ambi=1 { CA:59.828 } atom: 396 36K-HG2 G 1.548 ambi=2 { CG:25.127 } :: atom: 379 35I-HA A 4.4 ambi=1 { CA:59.828 } atom: 397 36K-HG3 G 1.443 ambi=2 { CG:25.127 } ::sumAvg: 4.595 atom: 379 35I-HA A 4.4 ambi=1 { CA:59.828 } atom: 398 36K-QD D 1.731 ambi=2 { CD:28.717 } ::sumAvg: 4.585 atom: 398 36K-QD D 1.731 ambi=2 { CD:28.717 } atom: 379 35I-HA A 4.4 ambi=1 { CA:59.828 } ::sumAvg: 4.585 atom: 379 35I-HA A 4.4 ambi=1 { CA:59.828 } atom: 400 36K-QE E 3.023 ambi=2 { CE:41.951 } ::sumAvg: 4.99 atom: 400 36K-QE E 3.023 ambi=2 { CE:41.951 } atom: 379 35I-HA A 4.4 ambi=1 { CA:59.828 } ::sumAvg: 4.99 atom: 379 35I-HA A 4.4 ambi=1 { CA:59.828 } atom: 475 43N-H N 8.417 ambi=1 { N:112.825 } ::sumAvg: 4.495 atom: 379 35I-HA A 4.4 ambi=1 { CA:59.828 } atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } ::sumAvg: 4.86 atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } atom: 379 35I-HA A 4.4 ambi=1 { CA:59.828 } ::sumAvg: 4.86 atom: 382 35I-HG13 G1 1.241 ambi=2 { CG1:26.835 } atom: 380 35I-HB B 1.815 ambi=1 { CB:39.56 } ::sumAvg: 2.5 atom: 380 35I-HB B 1.815 ambi=1 { CB:39.56 } atom: 392 36K-H N 9.316 ambi=1 { N:131.473 } ::sumAvg: 4.21 atom: 380 35I-HB B 1.815 ambi=1 { CB:39.56 } atom: 393 36K-HA A 4.627 ambi=1 { CA:56.355 } ::sumAvg: 4.975 atom: 380 35I-HB B 1.815 ambi=1 { CB:39.56 } atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } ::sumAvg: 4.555 atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } atom: 380 35I-HB B 1.815 ambi=1 { CB:39.56 } ::sumAvg: 4.555 atom: 380 35I-HB B 1.815 ambi=1 { CB:39.56 } atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } ::sumAvg: 4.735 atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 380 35I-HB B 1.815 ambi=1 { CB:39.56 } ::sumAvg: 4.735 atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } atom: 392 36K-H N 9.316 ambi=1 { N:131.473 } :: atom: 382 35I-HG13 G1 1.241 ambi=2 { CG1:26.835 } atom: 392 36K-H N 9.316 ambi=1 { N:131.473 } ::sumAvg: 4.705 atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } :: atom: 382 35I-HG13 G1 1.241 ambi=2 { CG1:26.835 } atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } ::sumAvg: 3.79 atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } :: atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } atom: 382 35I-HG13 G1 1.241 ambi=2 { CG1:26.835 } ::sumAvg: 3.79 atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } :: atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } :: atom: 382 35I-HG13 G1 1.241 ambi=2 { CG1:26.835 } atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } ::sumAvg: 4.795 atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } :: atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } :: atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } atom: 382 35I-HG13 G1 1.241 ambi=2 { CG1:26.835 } ::sumAvg: 4.795 atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } :: atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } :: atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } atom: 382 35I-HG13 G1 1.241 ambi=2 { CG1:26.835 } :: atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } atom: 382 35I-HG13 G1 1.241 ambi=2 { CG1:26.835 } ::sumAvg: 3.48 atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } :: atom: 950 84V-HG2 G2 0.964 ambi=2 { CG2:22.66 } atom: 381 35I-HG12 G1 1.644 ambi=2 { CG1:26.835 } :: atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } atom: 382 35I-HG13 G1 1.241 ambi=2 { CG1:26.835 } ::sumAvg: 4.37 atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } atom: 393 36K-HA A 4.627 ambi=1 { CA:56.355 } ::sumAvg: 4.055 atom: 393 36K-HA A 4.627 ambi=1 { CA:56.355 } atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } ::sumAvg: 4.055 atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } :: atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } ::sumAvg: 4.08 atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } ::sumAvg: 4.315 atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } ::sumAvg: 4.315 atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } ::sumAvg: 3.285 atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } :: atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } ::sumAvg: 4.815 atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } :: atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } ::sumAvg: 4.815 atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } atom: 947 84V-HA A 4.952 ambi=1 { CA:61.568 } ::sumAvg: 4.835 atom: 947 84V-HA A 4.952 ambi=1 { CA:61.568 } atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } ::sumAvg: 4.835 atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } atom: 948 84V-HB B 1.536 ambi=1 { CB:35.191 } ::sumAvg: 4.75 atom: 948 84V-HB B 1.536 ambi=1 { CB:35.191 } atom: 383 35I-HG2 G2 0.818 ambi=1 { CG2:17.509 } ::sumAvg: 4.75 atom: 384 35I-HD1 D1 0.909 ambi=1 { CD1:14.495 } atom: 475 43N-H N 8.417 ambi=1 { N:112.825 } ::sumAvg: 4.64 atom: 384 35I-HD1 D1 0.909 ambi=1 { CD1:14.495 } atom: 487 44L-HA A 4.76 ambi=1 { CA:55.196 } ::sumAvg: 4.875 atom: 487 44L-HA A 4.76 ambi=1 { CA:55.196 } atom: 384 35I-HD1 D1 0.909 ambi=1 { CD1:14.495 } ::sumAvg: 4.875 atom: 384 35I-HD1 D1 0.909 ambi=1 { CD1:14.495 } atom: 500 45M-H N 9.007 ambi=1 { N:126.006 } ::sumAvg: 4.01 atom: 384 35I-HD1 D1 0.909 ambi=1 { CD1:14.495 } atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } ::sumAvg: 3.755 atom: 400 36K-QE E 3.023 ambi=2 { CE:41.951 } atom: 392 36K-H N 9.316 ambi=1 { N:131.473 } ::sumAvg: 3.81 atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } atom: 392 36K-H N 9.316 ambi=1 { N:131.473 } ::sumAvg: 4.91 atom: 393 36K-HA A 4.627 ambi=1 { CA:56.355 } atom: 400 36K-QE E 3.023 ambi=2 { CE:41.951 } ::sumAvg: 4.47 atom: 400 36K-QE E 3.023 ambi=2 { CE:41.951 } atom: 393 36K-HA A 4.627 ambi=1 { CA:56.355 } ::sumAvg: 4.47 atom: 393 36K-HA A 4.627 ambi=1 { CA:56.355 } atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } ::sumAvg: 4.39 atom: 393 36K-HA A 4.627 ambi=1 { CA:56.355 } atom: 463 42Y-QD D 6.932 ambi=3 { CD1:133.373 } ::sumAvg: 4.815 atom: 394 36K-HB2 B 1.793 ambi=2 { CB:33.397 } atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } :: atom: 394 36K-HB2 B 1.793 ambi=2 { CB:33.397 } atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } :: atom: 395 36K-HB3 B 2.012 ambi=2 { CB:33.397 } atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } :: atom: 395 36K-HB3 B 2.012 ambi=2 { CB:33.397 } atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } ::sumAvg: 4.795 atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } atom: 394 36K-HB2 B 1.793 ambi=2 { CB:33.397 } :: atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } atom: 394 36K-HB2 B 1.793 ambi=2 { CB:33.397 } :: atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } atom: 395 36K-HB3 B 2.012 ambi=2 { CB:33.397 } :: atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } atom: 395 36K-HB3 B 2.012 ambi=2 { CB:33.397 } ::sumAvg: 4.795 atom: 394 36K-HB2 B 1.793 ambi=2 { CB:33.397 } atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } :: atom: 394 36K-HB2 B 1.793 ambi=2 { CB:33.397 } atom: 462 42Y-HB3 B 2.691 ambi=2 { CB:41.359 } :: atom: 395 36K-HB3 B 2.012 ambi=2 { CB:33.397 } atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } :: atom: 395 36K-HB3 B 2.012 ambi=2 { CB:33.397 } atom: 462 42Y-HB3 B 2.691 ambi=2 { CB:41.359 } ::sumAvg: 4.7 atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } atom: 394 36K-HB2 B 1.793 ambi=2 { CB:33.397 } :: atom: 462 42Y-HB3 B 2.691 ambi=2 { CB:41.359 } atom: 394 36K-HB2 B 1.793 ambi=2 { CB:33.397 } :: atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } atom: 395 36K-HB3 B 2.012 ambi=2 { CB:33.397 } :: atom: 462 42Y-HB3 B 2.691 ambi=2 { CB:41.359 } atom: 395 36K-HB3 B 2.012 ambi=2 { CB:33.397 } ::sumAvg: 4.7 atom: 396 36K-HG2 G 1.548 ambi=2 { CG:25.127 } atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } :: atom: 397 36K-HG3 G 1.443 ambi=2 { CG:25.127 } atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } ::sumAvg: 4.695 atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } atom: 396 36K-HG2 G 1.548 ambi=2 { CG:25.127 } :: atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } atom: 397 36K-HG3 G 1.443 ambi=2 { CG:25.127 } ::sumAvg: 4.695 atom: 396 36K-HG2 G 1.548 ambi=2 { CG:25.127 } atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } :: atom: 396 36K-HG2 G 1.548 ambi=2 { CG:25.127 } atom: 462 42Y-HB3 B 2.691 ambi=2 { CB:41.359 } :: atom: 397 36K-HG3 G 1.443 ambi=2 { CG:25.127 } atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } :: atom: 397 36K-HG3 G 1.443 ambi=2 { CG:25.127 } atom: 462 42Y-HB3 B 2.691 ambi=2 { CB:41.359 } ::sumAvg: 3.475 atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } atom: 396 36K-HG2 G 1.548 ambi=2 { CG:25.127 } :: atom: 462 42Y-HB3 B 2.691 ambi=2 { CB:41.359 } atom: 396 36K-HG2 G 1.548 ambi=2 { CG:25.127 } :: atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } atom: 397 36K-HG3 G 1.443 ambi=2 { CG:25.127 } :: atom: 462 42Y-HB3 B 2.691 ambi=2 { CB:41.359 } atom: 397 36K-HG3 G 1.443 ambi=2 { CG:25.127 } ::sumAvg: 3.475 atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } atom: 416 38K-HA A 4.256 ambi=1 { CA:55.703 } ::sumAvg: 4.445 atom: 416 38K-HA A 4.256 ambi=1 { CA:55.703 } atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } ::sumAvg: 4.445 atom: 417 38K-QB B 1.649 ambi=2 { CB:33.109 } atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } :: atom: 417 38K-QB B 1.649 ambi=2 { CB:33.109 } atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } ::sumAvg: 4.23 atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } atom: 432 39G-H N 8.789 ambi=1 { N:113.099 } :: atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } atom: 432 39G-H N 8.789 ambi=1 { N:113.099 } ::sumAvg: 4.955 atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } :: atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } ::sumAvg: 4.21 atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } :: atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } ::sumAvg: 4.21 atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } :: atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } ::sumAvg: 4.475 atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } :: atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } ::sumAvg: 4.475 atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } :: atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } :: atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } ::sumAvg: 4.05 atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } :: atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } :: atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } ::sumAvg: 4.05 atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } :: atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } atom: 950 84V-HG2 G2 0.964 ambi=2 { CG2:22.66 } :: atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } :: atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } atom: 950 84V-HG2 G2 0.964 ambi=2 { CG2:22.66 } ::sumAvg: 4.14 atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } :: atom: 950 84V-HG2 G2 0.964 ambi=2 { CG2:22.66 } atom: 410 37G-HA2 A 4.395 ambi=2 { CA:44.206 } :: atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } :: atom: 950 84V-HG2 G2 0.964 ambi=2 { CG2:22.66 } atom: 411 37G-HA3 A 3.481 ambi=2 { CA:44.206 } ::sumAvg: 4.14 atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } atom: 415 38K-H N 7.977 ambi=1 { N:123.418 } ::sumAvg: 4.275 atom: 416 38K-HA A 4.256 ambi=1 { CA:55.703 } atom: 423 38K-QE E 2.987 ambi=2 { CE:42.225 } ::sumAvg: 3.58 atom: 423 38K-QE E 2.987 ambi=2 { CE:42.225 } atom: 416 38K-HA A 4.256 ambi=1 { CA:55.703 } ::sumAvg: 3.58 atom: 416 38K-HA A 4.256 ambi=1 { CA:55.703 } atom: 433 39G-HA2 A 3.703 ambi=2 { CA:47.287 } :: atom: 416 38K-HA A 4.256 ambi=1 { CA:55.703 } atom: 434 39G-HA3 A 3.794 ambi=2 { CA:47.287 } ::sumAvg: 4.38 atom: 417 38K-QB B 1.649 ambi=2 { CB:33.109 } atom: 433 39G-HA2 A 3.703 ambi=2 { CA:47.287 } :: atom: 417 38K-QB B 1.649 ambi=2 { CB:33.109 } atom: 434 39G-HA3 A 3.794 ambi=2 { CA:47.287 } ::sumAvg: 4.44 atom: 417 38K-QB B 1.649 ambi=2 { CB:33.109 } atom: 447 41Q-HB2 B 0.116 ambi=2 { CB:28.718 } ::sumAvg: 3.71 atom: 417 38K-QB B 1.649 ambi=2 { CB:33.109 } atom: 449 41Q-HG2 G 2.525 ambi=2 { CG:33.242 } ::sumAvg: 4.15 atom: 417 38K-QB B 1.649 ambi=2 { CB:33.109 } atom: 451 41Q-HE21 E2 7.603 ambi=2 { NE2:109.49 } :: atom: 417 38K-QB B 1.649 ambi=2 { CB:33.109 } atom: 452 41Q-HE22 E2 6.454 ambi=2 { NE2:109.49 } ::sumAvg: 4.655 atom: 417 38K-QB B 1.649 ambi=2 { CB:33.109 } atom: 937 83K-QE E 3.0535 ambi=2 { CE:42.684 } ::sumAvg: 4.915 atom: 937 83K-QE E 3.0535 ambi=2 { CE:42.684 } atom: 417 38K-QB B 1.649 ambi=2 { CB:33.109 } ::sumAvg: 4.915 atom: 419 38K-HG2 G 1.437 ambi=2 { CG:24.697 } atom: 447 41Q-HB2 B 0.116 ambi=2 { CB:28.718 } :: atom: 420 38K-HG3 G 1.361 ambi=2 { CG:24.697 } atom: 447 41Q-HB2 B 0.116 ambi=2 { CB:28.718 } ::sumAvg: 4.815 atom: 447 41Q-HB2 B 0.116 ambi=2 { CB:28.718 } atom: 419 38K-HG2 G 1.437 ambi=2 { CG:24.697 } :: atom: 447 41Q-HB2 B 0.116 ambi=2 { CB:28.718 } atom: 420 38K-HG3 G 1.361 ambi=2 { CG:24.697 } ::sumAvg: 4.815 atom: 423 38K-QE E 2.987 ambi=2 { CE:42.225 } atom: 432 39G-H N 8.789 ambi=1 { N:113.099 } ::sumAvg: 4.785 atom: 935 83K-HD2 D 1.808 ambi=2 { CD:29.124 } atom: 423 38K-QE E 2.987 ambi=2 { CE:42.225 } :: atom: 936 83K-HD3 D 1.73 ambi=2 { CD:29.124 } atom: 423 38K-QE E 2.987 ambi=2 { CE:42.225 } ::sumAvg: 4.95 atom: 433 39G-HA2 A 3.703 ambi=2 { CA:47.287 } atom: 439 40A-HA A 4.399 ambi=1 { CA:51.658 } :: atom: 434 39G-HA3 A 3.794 ambi=2 { CA:47.287 } atom: 439 40A-HA A 4.399 ambi=1 { CA:51.658 } ::sumAvg: 4.58 atom: 439 40A-HA A 4.399 ambi=1 { CA:51.658 } atom: 433 39G-HA2 A 3.703 ambi=2 { CA:47.287 } :: atom: 439 40A-HA A 4.399 ambi=1 { CA:51.658 } atom: 434 39G-HA3 A 3.794 ambi=2 { CA:47.287 } ::sumAvg: 4.58 atom: 433 39G-HA2 A 3.703 ambi=2 { CA:47.287 } atom: 449 41Q-HG2 G 2.525 ambi=2 { CG:33.242 } :: atom: 433 39G-HA2 A 3.703 ambi=2 { CA:47.287 } atom: 450 41Q-HG3 G 2.011 ambi=2 { CG:33.242 } :: atom: 434 39G-HA3 A 3.794 ambi=2 { CA:47.287 } atom: 449 41Q-HG2 G 2.525 ambi=2 { CG:33.242 } :: atom: 434 39G-HA3 A 3.794 ambi=2 { CA:47.287 } atom: 450 41Q-HG3 G 2.011 ambi=2 { CG:33.242 } ::sumAvg: 4.59 atom: 449 41Q-HG2 G 2.525 ambi=2 { CG:33.242 } atom: 433 39G-HA2 A 3.703 ambi=2 { CA:47.287 } :: atom: 450 41Q-HG3 G 2.011 ambi=2 { CG:33.242 } atom: 433 39G-HA2 A 3.703 ambi=2 { CA:47.287 } :: atom: 449 41Q-HG2 G 2.525 ambi=2 { CG:33.242 } atom: 434 39G-HA3 A 3.794 ambi=2 { CA:47.287 } :: atom: 450 41Q-HG3 G 2.011 ambi=2 { CG:33.242 } atom: 434 39G-HA3 A 3.794 ambi=2 { CA:47.287 } ::sumAvg: 4.59 atom: 449 41Q-HG2 G 2.525 ambi=2 { CG:33.242 } atom: 438 40A-H N 8.881 ambi=1 { N:129.184 } :: atom: 450 41Q-HG3 G 2.011 ambi=2 { CG:33.242 } atom: 438 40A-H N 8.881 ambi=1 { N:129.184 } ::sumAvg: 3.985 atom: 439 40A-HA A 4.399 ambi=1 { CA:51.658 } atom: 446 41Q-HA A 3.954 ambi=1 { CA:57.174 } ::sumAvg: 4.67 atom: 446 41Q-HA A 3.954 ambi=1 { CA:57.174 } atom: 439 40A-HA A 4.399 ambi=1 { CA:51.658 } ::sumAvg: 4.67 atom: 439 40A-HA A 4.399 ambi=1 { CA:51.658 } atom: 449 41Q-HG2 G 2.525 ambi=2 { CG:33.242 } :: atom: 439 40A-HA A 4.399 ambi=1 { CA:51.658 } atom: 450 41Q-HG3 G 2.011 ambi=2 { CG:33.242 } ::sumAvg: 4.935 atom: 449 41Q-HG2 G 2.525 ambi=2 { CG:33.242 } atom: 439 40A-HA A 4.399 ambi=1 { CA:51.658 } :: atom: 450 41Q-HG3 G 2.011 ambi=2 { CG:33.242 } atom: 439 40A-HA A 4.399 ambi=1 { CA:51.658 } ::sumAvg: 4.935 atom: 439 40A-HA A 4.399 ambi=1 { CA:51.658 } atom: 463 42Y-QD D 6.932 ambi=3 { CD1:133.373 } ::sumAvg: 4.265 atom: 439 40A-HA A 4.399 ambi=1 { CA:51.658 } atom: 657 58N-HD21 D2 7.585 ambi=2 { ND2:108.077 } :: atom: 439 40A-HA A 4.399 ambi=1 { CA:51.658 } atom: 658 58N-HD22 D2 7.258 ambi=2 { ND2:108.077 } ::sumAvg: 4.815 atom: 440 40A-HB B 1.407 ambi=1 { CB:19.137 } atom: 449 41Q-HG2 G 2.525 ambi=2 { CG:33.242 } :: atom: 440 40A-HB B 1.407 ambi=1 { CB:19.137 } atom: 450 41Q-HG3 G 2.011 ambi=2 { CG:33.242 } ::sumAvg: 3.74 atom: 440 40A-HB B 1.407 ambi=1 { CB:19.137 } atom: 459 42Y-H N 8.758 ambi=1 { N:121.537 } ::sumAvg: 4.975 atom: 440 40A-HB B 1.407 ambi=1 { CB:19.137 } atom: 463 42Y-QD D 6.932 ambi=3 { CD1:133.373 } ::sumAvg: 4.44 atom: 440 40A-HB B 1.407 ambi=1 { CB:19.137 } atom: 465 42Y-QE E 6.629 ambi=3 { CE1:117.627 } ::sumAvg: 4.885 atom: 440 40A-HB B 1.407 ambi=1 { CB:19.137 } atom: 655 58N-HB2 B 3.314 ambi=2 { CB:36.414 } :: atom: 440 40A-HB B 1.407 ambi=1 { CB:19.137 } atom: 656 58N-HB3 B 2.668 ambi=2 { CB:36.414 } ::sumAvg: 4.64 atom: 446 41Q-HA A 3.954 ambi=1 { CA:57.174 } atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } ::sumAvg: 4.47 atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } atom: 446 41Q-HA A 3.954 ambi=1 { CA:57.174 } ::sumAvg: 4.47 atom: 446 41Q-HA A 3.954 ambi=1 { CA:57.174 } atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } :: atom: 446 41Q-HA A 3.954 ambi=1 { CA:57.174 } atom: 462 42Y-HB3 B 2.691 ambi=2 { CB:41.359 } ::sumAvg: 4.76 atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } atom: 446 41Q-HA A 3.954 ambi=1 { CA:57.174 } :: atom: 462 42Y-HB3 B 2.691 ambi=2 { CB:41.359 } atom: 446 41Q-HA A 3.954 ambi=1 { CA:57.174 } ::sumAvg: 4.76 atom: 446 41Q-HA A 3.954 ambi=1 { CA:57.174 } atom: 653 58N-H N 7.311 ambi=1 { N:113.344 } ::sumAvg: 4.27 atom: 446 41Q-HA A 3.954 ambi=1 { CA:57.174 } atom: 655 58N-HB2 B 3.314 ambi=2 { CB:36.414 } :: atom: 446 41Q-HA A 3.954 ambi=1 { CA:57.174 } atom: 656 58N-HB3 B 2.668 ambi=2 { CB:36.414 } ::sumAvg: 3.75 atom: 446 41Q-HA A 3.954 ambi=1 { CA:57.174 } atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } ::sumAvg: 4.71 atom: 447 41Q-HB2 B 0.116 ambi=2 { CB:28.718 } atom: 451 41Q-HE21 E2 7.603 ambi=2 { NE2:109.49 } :: atom: 447 41Q-HB2 B 0.116 ambi=2 { CB:28.718 } atom: 452 41Q-HE22 E2 6.454 ambi=2 { NE2:109.49 } :: atom: 448 41Q-HB3 B 1.654 ambi=2 { CB:28.718 } atom: 451 41Q-HE21 E2 7.603 ambi=2 { NE2:109.49 } :: atom: 448 41Q-HB3 B 1.654 ambi=2 { CB:28.718 } atom: 452 41Q-HE22 E2 6.454 ambi=2 { NE2:109.49 } ::sumAvg: 2.955 atom: 447 41Q-HB2 B 0.116 ambi=2 { CB:28.718 } atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } :: atom: 448 41Q-HB3 B 1.654 ambi=2 { CB:28.718 } atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } ::sumAvg: 4.64 atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } atom: 447 41Q-HB2 B 0.116 ambi=2 { CB:28.718 } :: atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } atom: 448 41Q-HB3 B 1.654 ambi=2 { CB:28.718 } ::sumAvg: 4.64 atom: 447 41Q-HB2 B 0.116 ambi=2 { CB:28.718 } atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } :: atom: 448 41Q-HB3 B 1.654 ambi=2 { CB:28.718 } atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } ::sumAvg: 3.025 atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } atom: 447 41Q-HB2 B 0.116 ambi=2 { CB:28.718 } :: atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } atom: 448 41Q-HB3 B 1.654 ambi=2 { CB:28.718 } ::sumAvg: 3.025 atom: 447 41Q-HB2 B 0.116 ambi=2 { CB:28.718 } atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } :: atom: 447 41Q-HB2 B 0.116 ambi=2 { CB:28.718 } atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } :: atom: 448 41Q-HB3 B 1.654 ambi=2 { CB:28.718 } atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } :: atom: 448 41Q-HB3 B 1.654 ambi=2 { CB:28.718 } atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } ::sumAvg: 3.82 atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } atom: 447 41Q-HB2 B 0.116 ambi=2 { CB:28.718 } :: atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } atom: 447 41Q-HB2 B 0.116 ambi=2 { CB:28.718 } :: atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } atom: 448 41Q-HB3 B 1.654 ambi=2 { CB:28.718 } :: atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } atom: 448 41Q-HB3 B 1.654 ambi=2 { CB:28.718 } ::sumAvg: 3.82 atom: 449 41Q-HG2 G 2.525 ambi=2 { CG:33.242 } atom: 459 42Y-H N 8.758 ambi=1 { N:121.537 } :: atom: 450 41Q-HG3 G 2.011 ambi=2 { CG:33.242 } atom: 459 42Y-H N 8.758 ambi=1 { N:121.537 } ::sumAvg: 4.745 atom: 449 41Q-HG2 G 2.525 ambi=2 { CG:33.242 } atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } :: atom: 450 41Q-HG3 G 2.011 ambi=2 { CG:33.242 } atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } ::sumAvg: 4.565 atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } atom: 449 41Q-HG2 G 2.525 ambi=2 { CG:33.242 } :: atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } atom: 450 41Q-HG3 G 2.011 ambi=2 { CG:33.242 } ::sumAvg: 4.565 atom: 449 41Q-HG2 G 2.525 ambi=2 { CG:33.242 } atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } :: atom: 450 41Q-HG3 G 2.011 ambi=2 { CG:33.242 } atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } ::sumAvg: 4.1 atom: 905 81P-HA A 4.465 ambi=1 { CA:66.463 } atom: 451 41Q-HE21 E2 7.603 ambi=2 { NE2:109.49 } :: atom: 905 81P-HA A 4.465 ambi=1 { CA:66.463 } atom: 452 41Q-HE22 E2 6.454 ambi=2 { NE2:109.49 } ::sumAvg: 4.63 atom: 906 81P-HB2 B 2.518 ambi=2 { CB:30.672 } atom: 451 41Q-HE21 E2 7.603 ambi=2 { NE2:109.49 } :: atom: 907 81P-HB3 B 1.532 ambi=2 { CB:30.672 } atom: 451 41Q-HE21 E2 7.603 ambi=2 { NE2:109.49 } :: atom: 906 81P-HB2 B 2.518 ambi=2 { CB:30.672 } atom: 452 41Q-HE22 E2 6.454 ambi=2 { NE2:109.49 } :: atom: 907 81P-HB3 B 1.532 ambi=2 { CB:30.672 } atom: 452 41Q-HE22 E2 6.454 ambi=2 { NE2:109.49 } ::sumAvg: 4.27 atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } atom: 459 42Y-H N 8.758 ambi=1 { N:121.537 } ::sumAvg: 4.77 atom: 655 58N-HB2 B 3.314 ambi=2 { CB:36.414 } atom: 459 42Y-H N 8.758 ambi=1 { N:121.537 } :: atom: 656 58N-HB3 B 2.668 ambi=2 { CB:36.414 } atom: 459 42Y-H N 8.758 ambi=1 { N:121.537 } ::sumAvg: 3.585 atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } ::sumAvg: 4.525 atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } ::sumAvg: 4.525 atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } ::sumAvg: 4.165 atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } ::sumAvg: 4.165 atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } :: atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } ::sumAvg: 4.93 atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } ::sumAvg: 4.83 atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } :: atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } atom: 950 84V-HG2 G2 0.964 ambi=2 { CG2:22.66 } ::sumAvg: 4.995 atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } atom: 465 42Y-QE E 6.629 ambi=3 { CE1:117.627 } :: atom: 462 42Y-HB3 B 2.691 ambi=2 { CB:41.359 } atom: 465 42Y-QE E 6.629 ambi=3 { CE1:117.627 } ::sumAvg: 4.405 atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } :: atom: 462 42Y-HB3 B 2.691 ambi=2 { CB:41.359 } atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } ::sumAvg: 4.535 atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } :: atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 462 42Y-HB3 B 2.691 ambi=2 { CB:41.359 } ::sumAvg: 4.535 atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } ::sumAvg: 4.95 atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } atom: 461 42Y-HB2 B 2.886 ambi=2 { CB:41.359 } ::sumAvg: 4.95 atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 463 42Y-QD D 6.932 ambi=3 { CD1:133.373 } ::sumAvg: 3.605 atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } atom: 463 42Y-QD D 6.932 ambi=3 { CD1:133.373 } ::sumAvg: 4.81 atom: 487 44L-HA A 4.76 ambi=1 { CA:55.196 } atom: 463 42Y-QD D 6.932 ambi=3 { CD1:133.373 } ::sumAvg: 4.045 atom: 491 44L-HD1 D1 0.828 ambi=2 { CD1:23.743 } atom: 463 42Y-QD D 6.932 ambi=3 { CD1:133.373 } :: atom: 492 44L-HD2 D2 0.839 ambi=2 { CD2:25.965 } atom: 463 42Y-QD D 6.932 ambi=3 { CD1:133.373 } ::sumAvg: 4.495 atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 465 42Y-QE E 6.629 ambi=3 { CE1:117.627 } ::sumAvg: 4.675 atom: 487 44L-HA A 4.76 ambi=1 { CA:55.196 } atom: 475 43N-H N 8.417 ambi=1 { N:112.825 } ::sumAvg: 4.71 atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } ::sumAvg: 2.41 atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } :: atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } ::sumAvg: 2.36 atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 486 44L-H N 9.374 ambi=1 { N:128.409 } ::sumAvg: 2.215 atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 488 44L-HB2 B 2.234 ambi=2 { CB:42.567 } :: atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 489 44L-HB3 B 1.38 ambi=2 { CB:42.567 } ::sumAvg: 4.565 atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } ::sumAvg: 3.66 atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } ::sumAvg: 4.58 atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } ::sumAvg: 3.03 atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 647 57D-HB2 B 3.657 ambi=2 { CB:43.612 } :: atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 648 57D-HB3 B 2.714 ambi=2 { CB:43.612 } ::sumAvg: 2.82 atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 653 58N-H N 7.311 ambi=1 { N:113.344 } ::sumAvg: 4.155 atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } ::sumAvg: 3.945 atom: 487 44L-HA A 4.76 ambi=1 { CA:55.196 } atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } ::sumAvg: 4.42 atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } atom: 500 45M-H N 9.007 ambi=1 { N:126.006 } ::sumAvg: 4.68 atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } atom: 506 45M-HE E 1.518 ambi=1 { CE:14.643 } ::sumAvg: 4.74 atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } :: atom: 607 54I-HG13 G1 0.75 ambi=2 { CG1:26.913 } atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } ::sumAvg: 4.295 atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } ::sumAvg: 3.66 atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } ::sumAvg: 4.9 atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } ::sumAvg: 4.9 atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } atom: 647 57D-HB2 B 3.657 ambi=2 { CB:43.612 } ::sumAvg: 4.205 atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } ::sumAvg: 4.335 atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } ::sumAvg: 4.335 atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } ::sumAvg: 4.71 atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } atom: 948 84V-HB B 1.536 ambi=1 { CB:35.191 } ::sumAvg: 4.38 atom: 948 84V-HB B 1.536 ambi=1 { CB:35.191 } atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } ::sumAvg: 4.38 atom: 605 54I-HB B 1.328 ambi=1 { CB:37.716 } atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } :: atom: 605 54I-HB B 1.328 ambi=1 { CB:37.716 } atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } ::sumAvg: 4.835 atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } :: atom: 607 54I-HG13 G1 0.75 ambi=2 { CG1:26.913 } atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } :: atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } :: atom: 607 54I-HG13 G1 0.75 ambi=2 { CG1:26.913 } atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } ::sumAvg: 3.81 atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } :: atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } :: atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } :: atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } ::sumAvg: 4.605 atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } :: atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } :: atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } :: atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } ::sumAvg: 4.815 atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } :: atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } :: atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } :: atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } ::sumAvg: 4.32 atom: 948 84V-HB B 1.536 ambi=1 { CB:35.191 } atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } :: atom: 948 84V-HB B 1.536 ambi=1 { CB:35.191 } atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } ::sumAvg: 4.365 atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } :: atom: 950 84V-HG2 G2 0.964 ambi=2 { CG2:22.66 } atom: 479 43N-HD21 D2 6.845 ambi=2 { ND2:115.671 } :: atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } :: atom: 950 84V-HG2 G2 0.964 ambi=2 { CG2:22.66 } atom: 480 43N-HD22 D2 6.565 ambi=2 { ND2:115.671 } ::sumAvg: 4.12 atom: 491 44L-HD1 D1 0.828 ambi=2 { CD1:23.743 } atom: 486 44L-H N 9.374 ambi=1 { N:128.409 } :: atom: 492 44L-HD2 D2 0.839 ambi=2 { CD2:25.965 } atom: 486 44L-H N 9.374 ambi=1 { N:128.409 } ::sumAvg: 4.25 atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } atom: 486 44L-H N 9.374 ambi=1 { N:128.409 } :: atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } atom: 486 44L-H N 9.374 ambi=1 { N:128.409 } ::sumAvg: 4.82 atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } atom: 486 44L-H N 9.374 ambi=1 { N:128.409 } ::sumAvg: 4.97 atom: 636 56E-HB2 B 2.021 ambi=2 { CB:33.86 } atom: 486 44L-H N 9.374 ambi=1 { N:128.409 } :: atom: 637 56E-HB3 B 2.086 ambi=2 { CB:33.86 } atom: 486 44L-H N 9.374 ambi=1 { N:128.409 } ::sumAvg: 4.155 atom: 487 44L-HA A 4.76 ambi=1 { CA:55.196 } atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } :: atom: 487 44L-HA A 4.76 ambi=1 { CA:55.196 } atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } ::sumAvg: 4.66 atom: 487 44L-HA A 4.76 ambi=1 { CA:55.196 } atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } :: atom: 487 44L-HA A 4.76 ambi=1 { CA:55.196 } atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } ::sumAvg: 3.92 atom: 487 44L-HA A 4.76 ambi=1 { CA:55.196 } atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } ::sumAvg: 4.73 atom: 487 44L-HA A 4.76 ambi=1 { CA:55.196 } atom: 634 56E-H N 7.53 ambi=1 { N:113.728 } ::sumAvg: 4.79 atom: 488 44L-HB2 B 2.234 ambi=2 { CB:42.567 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } :: atom: 489 44L-HB3 B 1.38 ambi=2 { CB:42.567 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } ::sumAvg: 3.845 atom: 619 55K-HB2 B 1.756 ambi=2 { CB:34.045 } atom: 488 44L-HB2 B 2.234 ambi=2 { CB:42.567 } :: atom: 620 55K-HB3 B 1.371 ambi=2 { CB:34.045 } atom: 488 44L-HB2 B 2.234 ambi=2 { CB:42.567 } ::sumAvg: 4.07 atom: 621 55K-HG2 G 1.222 ambi=2 { CG:25.509 } atom: 488 44L-HB2 B 2.234 ambi=2 { CB:42.567 } :: atom: 622 55K-HG3 G 1.118 ambi=2 { CG:25.509 } atom: 488 44L-HB2 B 2.234 ambi=2 { CB:42.567 } ::sumAvg: 4.19 atom: 488 44L-HB2 B 2.234 ambi=2 { CB:42.567 } atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } :: atom: 489 44L-HB3 B 1.38 ambi=2 { CB:42.567 } atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } ::sumAvg: 4.325 atom: 488 44L-HB2 B 2.234 ambi=2 { CB:42.567 } atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } :: atom: 489 44L-HB3 B 1.38 ambi=2 { CB:42.567 } atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } ::sumAvg: 4.81 atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 490 44L-HG G 1.365 ambi=1 { CG:27.903 } ::sumAvg: 4.435 atom: 490 44L-HG G 1.365 ambi=1 { CG:27.903 } atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } ::sumAvg: 4.985 atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } atom: 490 44L-HG G 1.365 ambi=1 { CG:27.903 } ::sumAvg: 4.985 atom: 490 44L-HG G 1.365 ambi=1 { CG:27.903 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } ::sumAvg: 3.65 atom: 490 44L-HG G 1.365 ambi=1 { CG:27.903 } atom: 625 55K-HE2 E 2.887 ambi=2 { CE:42.47 } :: atom: 490 44L-HG G 1.365 ambi=1 { CG:27.903 } atom: 626 55K-HE3 E 2.865 ambi=2 { CE:42.47 } ::sumAvg: 4.515 atom: 490 44L-HG G 1.365 ambi=1 { CG:27.903 } atom: 636 56E-HB2 B 2.021 ambi=2 { CB:33.86 } :: atom: 490 44L-HG G 1.365 ambi=1 { CG:27.903 } atom: 637 56E-HB3 B 2.086 ambi=2 { CB:33.86 } ::sumAvg: 4.375 atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 491 44L-HD1 D1 0.828 ambi=2 { CD1:23.743 } :: atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 492 44L-HD2 D2 0.839 ambi=2 { CD2:25.965 } ::sumAvg: 4.6 atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 491 44L-HD1 D1 0.828 ambi=2 { CD1:23.743 } :: atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } atom: 491 44L-HD1 D1 0.828 ambi=2 { CD1:23.743 } :: atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 492 44L-HD2 D2 0.839 ambi=2 { CD2:25.965 } :: atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } atom: 492 44L-HD2 D2 0.839 ambi=2 { CD2:25.965 } ::sumAvg: 4.595 atom: 491 44L-HD1 D1 0.828 ambi=2 { CD1:23.743 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } :: atom: 492 44L-HD2 D2 0.839 ambi=2 { CD2:25.965 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } ::sumAvg: 4.345 atom: 491 44L-HD1 D1 0.828 ambi=2 { CD1:23.743 } atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } :: atom: 492 44L-HD2 D2 0.839 ambi=2 { CD2:25.965 } atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } ::sumAvg: 4.705 atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } atom: 491 44L-HD1 D1 0.828 ambi=2 { CD1:23.743 } :: atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } atom: 492 44L-HD2 D2 0.839 ambi=2 { CD2:25.965 } ::sumAvg: 4.705 atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 500 45M-H N 9.007 ambi=1 { N:126.006 } ::sumAvg: 2.925 atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } :: atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } ::sumAvg: 2.45 atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } :: atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } ::sumAvg: 3.11 atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 506 45M-HE E 1.518 ambi=1 { CE:14.643 } ::sumAvg: 3.005 atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } :: atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } ::sumAvg: 4.46 atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } :: atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } ::sumAvg: 4.46 atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } :: atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 577 52I-HG13 G1 0.714 ambi=2 { CG1:28.769 } ::sumAvg: 4.775 atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } :: atom: 577 52I-HG13 G1 0.714 ambi=2 { CG1:28.769 } atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } ::sumAvg: 4.775 atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 579 52I-HD1 D1 0.632 ambi=1 { CD1:15.05 } ::sumAvg: 4.545 atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 587 53R-H N 8.824 ambi=1 { N:120.372 } ::sumAvg: 4.74 atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } ::sumAvg: 4.905 atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } :: atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 607 54I-HG13 G1 0.75 ambi=2 { CG1:26.913 } ::sumAvg: 3.565 atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } :: atom: 607 54I-HG13 G1 0.75 ambi=2 { CG1:26.913 } atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } ::sumAvg: 3.565 atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } ::sumAvg: 3.6 atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } ::sumAvg: 4.965 atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } ::sumAvg: 3.03 atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 619 55K-HB2 B 1.756 ambi=2 { CB:34.045 } :: atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 620 55K-HB3 B 1.371 ambi=2 { CB:34.045 } ::sumAvg: 4.925 atom: 619 55K-HB2 B 1.756 ambi=2 { CB:34.045 } atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } :: atom: 620 55K-HB3 B 1.371 ambi=2 { CB:34.045 } atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } ::sumAvg: 4.925 atom: 501 45M-HA A 4.766 ambi=1 { CA:52.178 } atom: 634 56E-H N 7.53 ambi=1 { N:113.728 } ::sumAvg: 4.78 atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } atom: 514 46E-HA A 5.068 ambi=1 { CA:54.592 } :: atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } atom: 514 46E-HA A 5.068 ambi=1 { CA:54.592 } ::sumAvg: 4.58 atom: 514 46E-HA A 5.068 ambi=1 { CA:54.592 } atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } :: atom: 514 46E-HA A 5.068 ambi=1 { CA:54.592 } atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } ::sumAvg: 4.58 atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } ::sumAvg: 3.955 atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } ::sumAvg: 3.955 atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } :: atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } ::sumAvg: 3.615 atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } :: atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } ::sumAvg: 3.615 atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } atom: 587 53R-H N 8.824 ambi=1 { N:120.372 } :: atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } atom: 587 53R-H N 8.824 ambi=1 { N:120.372 } ::sumAvg: 4.78 atom: 502 45M-HB2 B 1.076 ambi=2 { CB:30.354 } atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } :: atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } ::sumAvg: 4.415 atom: 503 45M-HB3 B 0.495 ambi=2 { CB:30.354 } atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } ::sumAvg: 4.66 atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } atom: 579 52I-HD1 D1 0.632 ambi=1 { CD1:15.05 } :: atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } atom: 579 52I-HD1 D1 0.632 ambi=1 { CD1:15.05 } ::sumAvg: 3.78 atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } :: atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } ::sumAvg: 4.74 atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } :: atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } atom: 607 54I-HG13 G1 0.75 ambi=2 { CG1:26.913 } :: atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } :: atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } atom: 607 54I-HG13 G1 0.75 ambi=2 { CG1:26.913 } ::sumAvg: 4.19 atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } :: atom: 607 54I-HG13 G1 0.75 ambi=2 { CG1:26.913 } atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } :: atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } :: atom: 607 54I-HG13 G1 0.75 ambi=2 { CG1:26.913 } atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } ::sumAvg: 4.19 atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } :: atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } ::sumAvg: 4.435 atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } :: atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } ::sumAvg: 4.435 atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } :: atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } ::sumAvg: 4.95 atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } atom: 978 86V-HG1 G1 0.617 ambi=2 { CG1:20.486 } :: atom: 504 45M-HG2 G 2.146 ambi=2 { CG:32.252 } atom: 979 86V-HG2 G2 0.679 ambi=2 { CG2:20.698 } :: atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } atom: 978 86V-HG1 G1 0.617 ambi=2 { CG1:20.486 } :: atom: 505 45M-HG3 G 2.089 ambi=2 { CG:32.252 } atom: 979 86V-HG2 G2 0.679 ambi=2 { CG2:20.698 } ::sumAvg: 4 atom: 506 45M-HE E 1.518 ambi=1 { CE:14.643 } atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } ::sumAvg: 3.505 atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } atom: 506 45M-HE E 1.518 ambi=1 { CE:14.643 } ::sumAvg: 3.505 atom: 863 77I-HG13 G1 0.897 ambi=2 { CG1:28.723 } atom: 506 45M-HE E 1.518 ambi=1 { CE:14.643 } ::sumAvg: 3.37 atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } atom: 506 45M-HE E 1.518 ambi=1 { CE:14.643 } ::sumAvg: 2.985 atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 513 46E-H N 8.642 ambi=1 { N:120.778 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 513 46E-H N 8.642 ambi=1 { N:120.778 } ::sumAvg: 4.425 atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } atom: 513 46E-H N 8.642 ambi=1 { N:120.778 } ::sumAvg: 4.785 atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } atom: 513 46E-H N 8.642 ambi=1 { N:120.778 } :: atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } atom: 513 46E-H N 8.642 ambi=1 { N:120.778 } ::sumAvg: 4.16 atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } atom: 513 46E-H N 8.642 ambi=1 { N:120.778 } :: atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } atom: 513 46E-H N 8.642 ambi=1 { N:120.778 } ::sumAvg: 4.825 atom: 619 55K-HB2 B 1.756 ambi=2 { CB:34.045 } atom: 513 46E-H N 8.642 ambi=1 { N:120.778 } :: atom: 620 55K-HB3 B 1.371 ambi=2 { CB:34.045 } atom: 513 46E-H N 8.642 ambi=1 { N:120.778 } ::sumAvg: 4.665 atom: 514 46E-HA A 5.068 ambi=1 { CA:54.592 } atom: 526 47V-HB B 1.903 ambi=1 { CB:32.807 } ::sumAvg: 4.72 atom: 514 46E-HA A 5.068 ambi=1 { CA:54.592 } atom: 587 53R-H N 8.824 ambi=1 { N:120.372 } ::sumAvg: 4.94 atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } :: atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } ::sumAvg: 4.265 atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } :: atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } :: atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } :: atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } ::sumAvg: 3.475 atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } :: atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } :: atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } :: atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } ::sumAvg: 3.475 atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } :: atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } :: atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } ::sumAvg: 3.97 atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 595 53R-HE E 6.129 ambi=1 { NE:84.563 } :: atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } atom: 595 53R-HE E 6.129 ambi=1 { NE:84.563 } ::sumAvg: 3.575 atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } :: atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } ::sumAvg: 4.78 atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } :: atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } ::sumAvg: 4.005 atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 618 55K-HA A 3.562 ambi=1 { CA:58.854 } :: atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } atom: 618 55K-HA A 3.562 ambi=1 { CA:58.854 } ::sumAvg: 4.54 atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 621 55K-HG2 G 1.222 ambi=2 { CG:25.509 } :: atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 622 55K-HG3 G 1.118 ambi=2 { CG:25.509 } ::sumAvg: 3.745 atom: 621 55K-HG2 G 1.222 ambi=2 { CG:25.509 } atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } :: atom: 622 55K-HG3 G 1.118 ambi=2 { CG:25.509 } atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } ::sumAvg: 3.745 atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 624 55K-HD3 D 1.3 ambi=2 { CD:28.841 } ::sumAvg: 3.095 atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 625 55K-HE2 E 2.887 ambi=2 { CE:42.47 } :: atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 626 55K-HE3 E 2.865 ambi=2 { CE:42.47 } :: atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } atom: 625 55K-HE2 E 2.887 ambi=2 { CE:42.47 } :: atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } atom: 626 55K-HE3 E 2.865 ambi=2 { CE:42.47 } ::sumAvg: 3.92 atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } :: atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } ::sumAvg: 4.51 atom: 515 46E-HB2 B 1.75 ambi=2 { CB:35.34 } atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } :: atom: 516 46E-HB3 B 1.504 ambi=2 { CB:35.34 } atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } ::sumAvg: 4.235 atom: 525 47V-HA A 5.053 ambi=1 { CA:60.26 } atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } :: atom: 525 47V-HA A 5.053 ambi=1 { CA:60.26 } atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } ::sumAvg: 4.01 atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } :: atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } ::sumAvg: 4.97 atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 535 48D-H N 8.62 ambi=1 { N:127.406 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 535 48D-H N 8.62 ambi=1 { N:127.406 } ::sumAvg: 3.91 atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } ::sumAvg: 4.485 atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } :: atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } ::sumAvg: 4.485 atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } ::sumAvg: 4.96 atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } :: atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } ::sumAvg: 4.96 atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 587 53R-H N 8.824 ambi=1 { N:120.372 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 587 53R-H N 8.824 ambi=1 { N:120.372 } ::sumAvg: 4.615 atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } :: atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } ::sumAvg: 4.71 atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 595 53R-HE E 6.129 ambi=1 { NE:84.563 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 595 53R-HE E 6.129 ambi=1 { NE:84.563 } ::sumAvg: 4.315 atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 623 55K-HD2 D 1.644 ambi=2 { CD:28.841 } :: atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 624 55K-HD3 D 1.3 ambi=2 { CD:28.841 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 623 55K-HD2 D 1.644 ambi=2 { CD:28.841 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 624 55K-HD3 D 1.3 ambi=2 { CD:28.841 } ::sumAvg: 4.655 atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 625 55K-HE2 E 2.887 ambi=2 { CE:42.47 } :: atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 626 55K-HE3 E 2.865 ambi=2 { CE:42.47 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 625 55K-HE2 E 2.887 ambi=2 { CE:42.47 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 626 55K-HE3 E 2.865 ambi=2 { CE:42.47 } ::sumAvg: 4.97 atom: 625 55K-HE2 E 2.887 ambi=2 { CE:42.47 } atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } :: atom: 626 55K-HE3 E 2.865 ambi=2 { CE:42.47 } atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } :: atom: 625 55K-HE2 E 2.887 ambi=2 { CE:42.47 } atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } :: atom: 626 55K-HE3 E 2.865 ambi=2 { CE:42.47 } atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } ::sumAvg: 4.97 atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } ::sumAvg: 3.85 atom: 517 46E-HG2 G 2.298 ambi=2 { CG:35.939 } atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } :: atom: 518 46E-HG3 G 2.124 ambi=2 { CG:35.939 } atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } ::sumAvg: 3.3 atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } ::sumAvg: 4.98 atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } ::sumAvg: 4.7 atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } :: atom: 577 52I-HG13 G1 0.714 ambi=2 { CG1:28.769 } atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } ::sumAvg: 4.135 atom: 525 47V-HA A 5.053 ambi=1 { CA:60.26 } atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } ::sumAvg: 4.44 atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } atom: 525 47V-HA A 5.053 ambi=1 { CA:60.26 } ::sumAvg: 4.44 atom: 525 47V-HA A 5.053 ambi=1 { CA:60.26 } atom: 537 48D-HB2 B 2.416 ambi=2 { CB:46.076 } :: atom: 525 47V-HA A 5.053 ambi=1 { CA:60.26 } atom: 538 48D-HB3 B 2.521 ambi=2 { CB:46.076 } ::sumAvg: 4.57 atom: 537 48D-HB2 B 2.416 ambi=2 { CB:46.076 } atom: 525 47V-HA A 5.053 ambi=1 { CA:60.26 } :: atom: 538 48D-HB3 B 2.521 ambi=2 { CB:46.076 } atom: 525 47V-HA A 5.053 ambi=1 { CA:60.26 } ::sumAvg: 4.57 atom: 525 47V-HA A 5.053 ambi=1 { CA:60.26 } atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } ::sumAvg: 4.79 atom: 525 47V-HA A 5.053 ambi=1 { CA:60.26 } atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } ::sumAvg: 4.715 atom: 578 52I-HG2 G2 0.755 ambi=1 { CG2:14.885 } atom: 525 47V-HA A 5.053 ambi=1 { CA:60.26 } ::sumAvg: 4.52 atom: 525 47V-HA A 5.053 ambi=1 { CA:60.26 } atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } ::sumAvg: 3.895 atom: 526 47V-HB B 1.903 ambi=1 { CB:32.807 } atom: 535 48D-H N 8.62 ambi=1 { N:127.406 } ::sumAvg: 4.305 atom: 526 47V-HB B 1.903 ambi=1 { CB:32.807 } atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } ::sumAvg: 4.78 atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } atom: 526 47V-HB B 1.903 ambi=1 { CB:32.807 } ::sumAvg: 4.78 atom: 526 47V-HB B 1.903 ambi=1 { CB:32.807 } atom: 577 52I-HG13 G1 0.714 ambi=2 { CG1:28.769 } ::sumAvg: 4.79 atom: 577 52I-HG13 G1 0.714 ambi=2 { CG1:28.769 } atom: 526 47V-HB B 1.903 ambi=1 { CB:32.807 } ::sumAvg: 4.79 atom: 579 52I-HD1 D1 0.632 ambi=1 { CD1:15.05 } atom: 526 47V-HB B 1.903 ambi=1 { CB:32.807 } ::sumAvg: 4.82 atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } :: atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } ::sumAvg: 3.865 atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } atom: 537 48D-HB2 B 2.416 ambi=2 { CB:46.076 } :: atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } atom: 538 48D-HB3 B 2.521 ambi=2 { CB:46.076 } :: atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } atom: 537 48D-HB2 B 2.416 ambi=2 { CB:46.076 } :: atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } atom: 538 48D-HB3 B 2.521 ambi=2 { CB:46.076 } ::sumAvg: 4.995 atom: 537 48D-HB2 B 2.416 ambi=2 { CB:46.076 } atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } :: atom: 538 48D-HB3 B 2.521 ambi=2 { CB:46.076 } atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } :: atom: 537 48D-HB2 B 2.416 ambi=2 { CB:46.076 } atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } :: atom: 538 48D-HB3 B 2.521 ambi=2 { CB:46.076 } atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } ::sumAvg: 4.995 atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } atom: 543 49G-H N 9.212 ambi=1 { N:115.426 } :: atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } atom: 543 49G-H N 9.212 ambi=1 { N:115.426 } ::sumAvg: 4.12 atom: 544 49G-HA2 A 3.857 ambi=2 { CA:47.577 } atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } :: atom: 545 49G-HA3 A 3.987 ambi=2 { CA:47.577 } atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } :: atom: 544 49G-HA2 A 3.857 ambi=2 { CA:47.577 } atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } :: atom: 545 49G-HA3 A 3.987 ambi=2 { CA:47.577 } atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } ::sumAvg: 4.98 atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } :: atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } ::sumAvg: 4.3 atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } :: atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } ::sumAvg: 4.3 atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } :: atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } :: atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } :: atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } ::sumAvg: 4.98 atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } :: atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } ::sumAvg: 4.555 atom: 527 47V-HG1 G1 0.385 ambi=2 { CG1:20.853 } atom: 587 53R-H N 8.824 ambi=1 { N:120.372 } :: atom: 528 47V-HG2 G2 0.849 ambi=2 { CG2:20.887 } atom: 587 53R-H N 8.824 ambi=1 { N:120.372 } ::sumAvg: 4.24 atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } atom: 535 48D-H N 8.62 ambi=1 { N:127.406 } :: atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } atom: 535 48D-H N 8.62 ambi=1 { N:127.406 } ::sumAvg: 3.425 atom: 575 52I-HB B 1.522 ambi=1 { CB:43.165 } atom: 535 48D-H N 8.62 ambi=1 { N:127.406 } ::sumAvg: 4.72 atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } atom: 544 49G-HA2 A 3.857 ambi=2 { CA:47.577 } :: atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } atom: 545 49G-HA3 A 3.987 ambi=2 { CA:47.577 } ::sumAvg: 4.37 atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } ::sumAvg: 4.91 atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } ::sumAvg: 4.585 atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } ::sumAvg: 4.895 atom: 537 48D-HB2 B 2.416 ambi=2 { CB:46.076 } atom: 544 49G-HA2 A 3.857 ambi=2 { CA:47.577 } :: atom: 537 48D-HB2 B 2.416 ambi=2 { CB:46.076 } atom: 545 49G-HA3 A 3.987 ambi=2 { CA:47.577 } :: atom: 538 48D-HB3 B 2.521 ambi=2 { CB:46.076 } atom: 544 49G-HA2 A 3.857 ambi=2 { CA:47.577 } :: atom: 538 48D-HB3 B 2.521 ambi=2 { CB:46.076 } atom: 545 49G-HA3 A 3.987 ambi=2 { CA:47.577 } ::sumAvg: 4.77 atom: 537 48D-HB2 B 2.416 ambi=2 { CB:46.076 } atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } :: atom: 538 48D-HB3 B 2.521 ambi=2 { CB:46.076 } atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } ::sumAvg: 4.655 atom: 537 48D-HB2 B 2.416 ambi=2 { CB:46.076 } atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } :: atom: 537 48D-HB2 B 2.416 ambi=2 { CB:46.076 } atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } :: atom: 538 48D-HB3 B 2.521 ambi=2 { CB:46.076 } atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } :: atom: 538 48D-HB3 B 2.521 ambi=2 { CB:46.076 } atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } ::sumAvg: 3.15 atom: 537 48D-HB2 B 2.416 ambi=2 { CB:46.076 } atom: 565 51R-HE E 5.805 ambi=1 { NE:82.547 } :: atom: 538 48D-HB3 B 2.521 ambi=2 { CB:46.076 } atom: 565 51R-HE E 5.805 ambi=1 { NE:82.547 } ::sumAvg: 4.09 atom: 537 48D-HB2 B 2.416 ambi=2 { CB:46.076 } atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } :: atom: 538 48D-HB3 B 2.521 ambi=2 { CB:46.076 } atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } ::sumAvg: 4.255 atom: 537 48D-HB2 B 2.416 ambi=2 { CB:46.076 } atom: 774 69W-HZ2 Z2 7.285 ambi=1 { CZ2:114.338 } :: atom: 538 48D-HB3 B 2.521 ambi=2 { CB:46.076 } atom: 774 69W-HZ2 Z2 7.285 ambi=1 { CZ2:114.338 } ::sumAvg: 4.585 atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } atom: 543 49G-H N 9.212 ambi=1 { N:115.426 } :: atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } atom: 543 49G-H N 9.212 ambi=1 { N:115.426 } ::sumAvg: 4.815 atom: 548 50E-HA A 4.761 ambi=1 { CA:55.087 } atom: 544 49G-HA2 A 3.857 ambi=2 { CA:47.577 } :: atom: 548 50E-HA A 4.761 ambi=1 { CA:55.087 } atom: 545 49G-HA3 A 3.987 ambi=2 { CA:47.577 } ::sumAvg: 4.525 atom: 544 49G-HA2 A 3.857 ambi=2 { CA:47.577 } atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } :: atom: 544 49G-HA2 A 3.857 ambi=2 { CA:47.577 } atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } :: atom: 545 49G-HA3 A 3.987 ambi=2 { CA:47.577 } atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } :: atom: 545 49G-HA3 A 3.987 ambi=2 { CA:47.577 } atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } ::sumAvg: 4.47 atom: 544 49G-HA2 A 3.857 ambi=2 { CA:47.577 } atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } :: atom: 545 49G-HA3 A 3.987 ambi=2 { CA:47.577 } atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } ::sumAvg: 3.955 atom: 544 49G-HA2 A 3.857 ambi=2 { CA:47.577 } atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } :: atom: 544 49G-HA2 A 3.857 ambi=2 { CA:47.577 } atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } :: atom: 545 49G-HA3 A 3.987 ambi=2 { CA:47.577 } atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } :: atom: 545 49G-HA3 A 3.987 ambi=2 { CA:47.577 } atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } ::sumAvg: 3.91 atom: 544 49G-HA2 A 3.857 ambi=2 { CA:47.577 } atom: 565 51R-HE E 5.805 ambi=1 { NE:82.547 } :: atom: 545 49G-HA3 A 3.987 ambi=2 { CA:47.577 } atom: 565 51R-HE E 5.805 ambi=1 { NE:82.547 } ::sumAvg: 4.595 atom: 548 50E-HA A 4.761 ambi=1 { CA:55.087 } atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } :: atom: 548 50E-HA A 4.761 ambi=1 { CA:55.087 } atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } ::sumAvg: 2.455 atom: 548 50E-HA A 4.761 ambi=1 { CA:55.087 } atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } ::sumAvg: 3.115 atom: 548 50E-HA A 4.761 ambi=1 { CA:55.087 } atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } ::sumAvg: 4.495 atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } atom: 548 50E-HA A 4.761 ambi=1 { CA:55.087 } ::sumAvg: 4.495 atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } :: atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } ::sumAvg: 3.755 atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } :: atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } ::sumAvg: 4.76 atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } :: atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } ::sumAvg: 4.76 atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } :: atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } :: atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } ::sumAvg: 4.36 atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } :: atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } :: atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } ::sumAvg: 4.36 atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } :: atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } :: atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } :: atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } ::sumAvg: 4.515 atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } :: atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } atom: 549 50E-HB2 B 2.087 ambi=2 { CB:28.592 } :: atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } :: atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } atom: 550 50E-HB3 B 1.869 ambi=2 { CB:28.592 } ::sumAvg: 4.515 atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } ::sumAvg: 4.935 atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } :: atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } ::sumAvg: 4.91 atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } atom: 563 51R-HD2 D 2.8 ambi=2 { CD:43.953 } :: atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } atom: 564 51R-HD3 D 2.304 ambi=2 { CD:43.953 } ::sumAvg: 4.705 atom: 563 51R-HD2 D 2.8 ambi=2 { CD:43.953 } atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } :: atom: 564 51R-HD3 D 2.304 ambi=2 { CD:43.953 } atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } ::sumAvg: 4.705 atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } ::sumAvg: 4.46 atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } ::sumAvg: 4.46 atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } atom: 575 52I-HB B 1.522 ambi=1 { CB:43.165 } ::sumAvg: 4.34 atom: 575 52I-HB B 1.522 ambi=1 { CB:43.165 } atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } ::sumAvg: 4.34 atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } ::sumAvg: 4.965 atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } ::sumAvg: 4.535 atom: 559 51R-QB B 1.761 ambi=2 { CB:34.782 } atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } ::sumAvg: 4.42 atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } atom: 559 51R-QB B 1.761 ambi=2 { CB:34.782 } ::sumAvg: 4 atom: 559 51R-QB B 1.761 ambi=2 { CB:34.782 } atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } :: atom: 559 51R-QB B 1.761 ambi=2 { CB:34.782 } atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } ::sumAvg: 2.855 atom: 559 51R-QB B 1.761 ambi=2 { CB:34.782 } atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } ::sumAvg: 3.715 atom: 559 51R-QB B 1.761 ambi=2 { CB:34.782 } atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } ::sumAvg: 4.83 atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } atom: 559 51R-QB B 1.761 ambi=2 { CB:34.782 } ::sumAvg: 4.83 atom: 559 51R-QB B 1.761 ambi=2 { CB:34.782 } atom: 805 71S-HA A 4.597 ambi=1 { CA:59.886 } ::sumAvg: 4.295 atom: 805 71S-HA A 4.597 ambi=1 { CA:59.886 } atom: 559 51R-QB B 1.761 ambi=2 { CB:34.782 } ::sumAvg: 4.295 atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } :: atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } ::sumAvg: 4.33 atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } :: atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } ::sumAvg: 4.33 atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } :: atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } :: atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } :: atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } ::sumAvg: 3.835 atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } :: atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } :: atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } :: atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } ::sumAvg: 3.835 atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } :: atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } ::sumAvg: 2.69 atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } :: atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } ::sumAvg: 4.64 atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } atom: 564 51R-HD3 D 2.304 ambi=2 { CD:43.953 } :: atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } atom: 564 51R-HD3 D 2.304 ambi=2 { CD:43.953 } ::sumAvg: 2.815 atom: 563 51R-HD2 D 2.8 ambi=2 { CD:43.953 } atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } :: atom: 564 51R-HD3 D 2.304 ambi=2 { CD:43.953 } atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } ::sumAvg: 4.115 atom: 563 51R-HD2 D 2.8 ambi=2 { CD:43.953 } atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } :: atom: 563 51R-HD2 D 2.8 ambi=2 { CD:43.953 } atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } :: atom: 564 51R-HD3 D 2.304 ambi=2 { CD:43.953 } atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } :: atom: 564 51R-HD3 D 2.304 ambi=2 { CD:43.953 } atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } ::sumAvg: 4.645 atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } atom: 563 51R-HD2 D 2.8 ambi=2 { CD:43.953 } :: atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } atom: 563 51R-HD2 D 2.8 ambi=2 { CD:43.953 } :: atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } atom: 564 51R-HD3 D 2.304 ambi=2 { CD:43.953 } :: atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } atom: 564 51R-HD3 D 2.304 ambi=2 { CD:43.953 } ::sumAvg: 4.645 atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } :: atom: 577 52I-HG13 G1 0.714 ambi=2 { CG1:28.769 } atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } ::sumAvg: 4.505 atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } :: atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } ::sumAvg: 4.455 atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } ::sumAvg: 4.93 atom: 789 70K-HB2 B 2.068 ambi=2 { CB:34.817 } atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } :: atom: 790 70K-HB3 B 1.546 ambi=2 { CB:34.817 } atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } ::sumAvg: 3.92 atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } ::sumAvg: 4.48 atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } ::sumAvg: 4.48 atom: 589 53R-HB2 B 1.074 ambi=2 { CB:33.547 } atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } :: atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } ::sumAvg: 4.61 atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } :: atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } ::sumAvg: 4.655 atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } :: atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } ::sumAvg: 4.655 atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } :: atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } ::sumAvg: 4.98 atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } :: atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } ::sumAvg: 4.98 atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } ::sumAvg: 4.81 atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } :: atom: 577 52I-HG13 G1 0.714 ambi=2 { CG1:28.769 } atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } ::sumAvg: 3.27 atom: 589 53R-HB2 B 1.074 ambi=2 { CB:33.547 } atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } :: atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } ::sumAvg: 4.97 atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } :: atom: 577 52I-HG13 G1 0.714 ambi=2 { CG1:28.769 } atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } ::sumAvg: 4.995 atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } :: atom: 863 77I-HG13 G1 0.897 ambi=2 { CG1:28.723 } atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } :: atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } atom: 577 52I-HG13 G1 0.714 ambi=2 { CG1:28.769 } ::sumAvg: 4.805 atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } ::sumAvg: 4.935 atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } ::sumAvg: 4.935 atom: 578 52I-HG2 G2 0.755 ambi=1 { CG2:14.885 } atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } ::sumAvg: 4.87 atom: 578 52I-HG2 G2 0.755 ambi=1 { CG2:14.885 } atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } ::sumAvg: 4.9 atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } atom: 578 52I-HG2 G2 0.755 ambi=1 { CG2:14.885 } ::sumAvg: 4.8 atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } atom: 578 52I-HG2 G2 0.755 ambi=1 { CG2:14.885 } ::sumAvg: 4.07 atom: 578 52I-HG2 G2 0.755 ambi=1 { CG2:14.885 } atom: 804 71S-H N 8.382 ambi=1 { N:109.615 } ::sumAvg: 4.93 atom: 578 52I-HG2 G2 0.755 ambi=1 { CG2:14.885 } atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } :: atom: 578 52I-HG2 G2 0.755 ambi=1 { CG2:14.885 } atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } ::sumAvg: 4.365 atom: 579 52I-HD1 D1 0.632 ambi=1 { CD1:15.05 } atom: 1000 88I-HG12 G1 1.247 ambi=2 { CG1:28.239 } ::sumAvg: 4.445 atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } atom: 587 53R-H N 8.824 ambi=1 { N:120.372 } :: atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } atom: 587 53R-H N 8.824 ambi=1 { N:120.372 } ::sumAvg: 3.645 atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } atom: 587 53R-H N 8.824 ambi=1 { N:120.372 } ::sumAvg: 4.83 atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } atom: 587 53R-H N 8.824 ambi=1 { N:120.372 } ::sumAvg: 4.78 atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } :: atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } ::sumAvg: 3.65 atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } :: atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } ::sumAvg: 3.65 atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } :: atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } ::sumAvg: 4.32 atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } ::sumAvg: 4.415 atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } ::sumAvg: 4.415 atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } atom: 605 54I-HB B 1.328 ambi=1 { CB:37.716 } ::sumAvg: 4.925 atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } :: atom: 607 54I-HG13 G1 0.75 ambi=2 { CG1:26.913 } atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } ::sumAvg: 3.845 atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } ::sumAvg: 3.86 atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } atom: 789 70K-HB2 B 2.068 ambi=2 { CB:34.817 } :: atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } atom: 790 70K-HB3 B 1.546 ambi=2 { CB:34.817 } ::sumAvg: 4.565 atom: 789 70K-HB2 B 2.068 ambi=2 { CB:34.817 } atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } :: atom: 790 70K-HB3 B 1.546 ambi=2 { CB:34.817 } atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } ::sumAvg: 4.565 atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } ::sumAvg: 4.15 atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } ::sumAvg: 4.15 atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } :: atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } atom: 863 77I-HG13 G1 0.897 ambi=2 { CG1:28.723 } ::sumAvg: 4.46 atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } :: atom: 863 77I-HG13 G1 0.897 ambi=2 { CG1:28.723 } atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } ::sumAvg: 4.46 atom: 588 53R-HA A 4.609 ambi=1 { CA:54.31 } atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } ::sumAvg: 4.945 atom: 589 53R-HB2 B 1.074 ambi=2 { CB:33.547 } atom: 595 53R-HE E 6.129 ambi=1 { NE:84.563 } :: atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } atom: 595 53R-HE E 6.129 ambi=1 { NE:84.563 } ::sumAvg: 4.24 atom: 589 53R-HB2 B 1.074 ambi=2 { CB:33.547 } atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } :: atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } ::sumAvg: 4.775 atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } atom: 605 54I-HB B 1.328 ambi=1 { CB:37.716 } ::sumAvg: 4.525 atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } ::sumAvg: 4.675 atom: 589 53R-HB2 B 1.074 ambi=2 { CB:33.547 } atom: 723 65V-HA A 3.485 ambi=1 { CA:66.186 } :: atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } atom: 723 65V-HA A 3.485 ambi=1 { CA:66.186 } ::sumAvg: 4.93 atom: 589 53R-HB2 B 1.074 ambi=2 { CB:33.547 } atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } :: atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } ::sumAvg: 4.33 atom: 589 53R-HB2 B 1.074 ambi=2 { CB:33.547 } atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } :: atom: 589 53R-HB2 B 1.074 ambi=2 { CB:33.547 } atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } :: atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } :: atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } ::sumAvg: 3.47 atom: 589 53R-HB2 B 1.074 ambi=2 { CB:33.547 } atom: 767 69W-H N 7.743 ambi=1 { N:117.31 } :: atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } atom: 767 69W-H N 7.743 ambi=1 { N:117.31 } ::sumAvg: 4.085 atom: 589 53R-HB2 B 1.074 ambi=2 { CB:33.547 } atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } :: atom: 589 53R-HB2 B 1.074 ambi=2 { CB:33.547 } atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } :: atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } :: atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } ::sumAvg: 4.355 atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } atom: 589 53R-HB2 B 1.074 ambi=2 { CB:33.547 } :: atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } atom: 589 53R-HB2 B 1.074 ambi=2 { CB:33.547 } :: atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } :: atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } ::sumAvg: 4.355 atom: 589 53R-HB2 B 1.074 ambi=2 { CB:33.547 } atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } :: atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } ::sumAvg: 3.465 atom: 589 53R-HB2 B 1.074 ambi=2 { CB:33.547 } atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } :: atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } ::sumAvg: 4.555 atom: 589 53R-HB2 B 1.074 ambi=2 { CB:33.547 } atom: 789 70K-HB2 B 2.068 ambi=2 { CB:34.817 } :: atom: 589 53R-HB2 B 1.074 ambi=2 { CB:33.547 } atom: 790 70K-HB3 B 1.546 ambi=2 { CB:34.817 } :: atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } atom: 789 70K-HB2 B 2.068 ambi=2 { CB:34.817 } :: atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } atom: 790 70K-HB3 B 1.546 ambi=2 { CB:34.817 } ::sumAvg: 4.94 atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } ::sumAvg: 4.45 atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } ::sumAvg: 4.45 atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } :: atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } ::sumAvg: 3.805 atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } :: atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } ::sumAvg: 4.77 atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } :: atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } ::sumAvg: 4.77 atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } :: atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } ::sumAvg: 4.885 atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } :: atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } :: atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } :: atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } ::sumAvg: 4.79 atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } :: atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } :: atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } :: atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } ::sumAvg: 4.79 atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } atom: 767 69W-H N 7.743 ambi=1 { N:117.31 } :: atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } atom: 767 69W-H N 7.743 ambi=1 { N:117.31 } ::sumAvg: 4.865 atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } :: atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } ::sumAvg: 3.405 atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } :: atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } ::sumAvg: 3.405 atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } :: atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } ::sumAvg: 3.905 atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } atom: 774 69W-HZ2 Z2 7.285 ambi=1 { CZ2:114.338 } :: atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } atom: 774 69W-HZ2 Z2 7.285 ambi=1 { CZ2:114.338 } ::sumAvg: 4.54 atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } :: atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } ::sumAvg: 4.47 atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } :: atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } ::sumAvg: 4.815 atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } :: atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } ::sumAvg: 3.87 atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } :: atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } ::sumAvg: 4.545 atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } :: atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } ::sumAvg: 4.545 atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } :: atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } ::sumAvg: 4.375 atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } atom: 619 55K-HB2 B 1.756 ambi=2 { CB:34.045 } :: atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } atom: 620 55K-HB3 B 1.371 ambi=2 { CB:34.045 } :: atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } atom: 620 55K-HB3 B 1.371 ambi=2 { CB:34.045 } ::sumAvg: 4.4 atom: 619 55K-HB2 B 1.756 ambi=2 { CB:34.045 } atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } :: atom: 620 55K-HB3 B 1.371 ambi=2 { CB:34.045 } atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } :: atom: 620 55K-HB3 B 1.371 ambi=2 { CB:34.045 } atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } ::sumAvg: 4.4 atom: 621 55K-HG2 G 1.222 ambi=2 { CG:25.509 } atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } :: atom: 622 55K-HG3 G 1.118 ambi=2 { CG:25.509 } atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } :: atom: 621 55K-HG2 G 1.222 ambi=2 { CG:25.509 } atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } :: atom: 622 55K-HG3 G 1.118 ambi=2 { CG:25.509 } atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } ::sumAvg: 4.465 atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } :: atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } :: atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } :: atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } ::sumAvg: 4.45 atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } :: atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } :: atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } :: atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } ::sumAvg: 4.45 atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } :: atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } ::sumAvg: 4.47 atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } atom: 772 69W-HE1 E1 10.118 ambi=1 { NE1:129.804 } :: atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } atom: 772 69W-HE1 E1 10.118 ambi=1 { NE1:129.804 } ::sumAvg: 4.455 atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } :: atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } ::sumAvg: 4.44 atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } atom: 774 69W-HZ2 Z2 7.285 ambi=1 { CZ2:114.338 } :: atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } atom: 774 69W-HZ2 Z2 7.285 ambi=1 { CZ2:114.338 } ::sumAvg: 4.085 atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } :: atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } ::sumAvg: 4.465 atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } :: atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } ::sumAvg: 4.4 atom: 619 55K-HB2 B 1.756 ambi=2 { CB:34.045 } atom: 595 53R-HE E 6.129 ambi=1 { NE:84.563 } :: atom: 620 55K-HB3 B 1.371 ambi=2 { CB:34.045 } atom: 595 53R-HE E 6.129 ambi=1 { NE:84.563 } ::sumAvg: 4.28 atom: 621 55K-HG2 G 1.222 ambi=2 { CG:25.509 } atom: 595 53R-HE E 6.129 ambi=1 { NE:84.563 } :: atom: 622 55K-HG3 G 1.118 ambi=2 { CG:25.509 } atom: 595 53R-HE E 6.129 ambi=1 { NE:84.563 } ::sumAvg: 4.265 atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } :: atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } ::sumAvg: 4.535 atom: 723 65V-HA A 3.485 ambi=1 { CA:66.186 } atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } ::sumAvg: 4.105 atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } :: atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } atom: 603 54I-H N 9.002 ambi=1 { N:119.166 } ::sumAvg: 4.905 atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } atom: 618 55K-HA A 3.562 ambi=1 { CA:58.854 } ::sumAvg: 4.39 atom: 618 55K-HA A 3.562 ambi=1 { CA:58.854 } atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } ::sumAvg: 4.39 atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } atom: 619 55K-HB2 B 1.756 ambi=2 { CB:34.045 } :: atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } atom: 620 55K-HB3 B 1.371 ambi=2 { CB:34.045 } ::sumAvg: 4.52 atom: 619 55K-HB2 B 1.756 ambi=2 { CB:34.045 } atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } :: atom: 620 55K-HB3 B 1.371 ambi=2 { CB:34.045 } atom: 604 54I-HA A 4.199 ambi=1 { CA:61.769 } ::sumAvg: 4.52 atom: 605 54I-HB B 1.328 ambi=1 { CB:37.716 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } ::sumAvg: 4.25 atom: 605 54I-HB B 1.328 ambi=1 { CB:37.716 } atom: 634 56E-H N 7.53 ambi=1 { N:113.728 } ::sumAvg: 4.935 atom: 605 54I-HB B 1.328 ambi=1 { CB:37.716 } atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } :: atom: 605 54I-HB B 1.328 ambi=1 { CB:37.716 } atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } ::sumAvg: 3.465 atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } atom: 605 54I-HB B 1.328 ambi=1 { CB:37.716 } :: atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } atom: 605 54I-HB B 1.328 ambi=1 { CB:37.716 } ::sumAvg: 3.465 atom: 605 54I-HB B 1.328 ambi=1 { CB:37.716 } atom: 722 65V-H N 8.108 ambi=1 { N:124.697 } ::sumAvg: 3.66 atom: 605 54I-HB B 1.328 ambi=1 { CB:37.716 } atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } :: atom: 605 54I-HB B 1.328 ambi=1 { CB:37.716 } atom: 753 67M-HB3 B 2.05 ambi=2 { CB:32.439 } ::sumAvg: 4.795 atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } atom: 605 54I-HB B 1.328 ambi=1 { CB:37.716 } :: atom: 753 67M-HB3 B 2.05 ambi=2 { CB:32.439 } atom: 605 54I-HB B 1.328 ambi=1 { CB:37.716 } ::sumAvg: 4.795 atom: 605 54I-HB B 1.328 ambi=1 { CB:37.716 } atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } ::sumAvg: 4.215 atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } :: atom: 607 54I-HG13 G1 0.75 ambi=2 { CG1:26.913 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } ::sumAvg: 4.44 atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } :: atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } :: atom: 607 54I-HG13 G1 0.75 ambi=2 { CG1:26.913 } atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } :: atom: 607 54I-HG13 G1 0.75 ambi=2 { CG1:26.913 } atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } ::sumAvg: 3.37 atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } :: atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } atom: 753 67M-HB3 B 2.05 ambi=2 { CB:32.439 } :: atom: 607 54I-HG13 G1 0.75 ambi=2 { CG1:26.913 } atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } :: atom: 607 54I-HG13 G1 0.75 ambi=2 { CG1:26.913 } atom: 753 67M-HB3 B 2.05 ambi=2 { CB:32.439 } ::sumAvg: 4.77 atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } :: atom: 753 67M-HB3 B 2.05 ambi=2 { CB:32.439 } atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } :: atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } atom: 607 54I-HG13 G1 0.75 ambi=2 { CG1:26.913 } :: atom: 753 67M-HB3 B 2.05 ambi=2 { CB:32.439 } atom: 607 54I-HG13 G1 0.75 ambi=2 { CG1:26.913 } ::sumAvg: 4.77 atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } ::sumAvg: 3.845 atom: 978 86V-HG1 G1 0.617 ambi=2 { CG1:20.486 } atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } :: atom: 979 86V-HG2 G2 0.679 ambi=2 { CG2:20.698 } atom: 606 54I-HG12 G1 1.459 ambi=2 { CG1:26.913 } ::sumAvg: 4.575 atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } atom: 618 55K-HA A 3.562 ambi=1 { CA:58.854 } ::sumAvg: 4.025 atom: 618 55K-HA A 3.562 ambi=1 { CA:58.854 } atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } ::sumAvg: 4.025 atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } atom: 619 55K-HB2 B 1.756 ambi=2 { CB:34.045 } :: atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } atom: 620 55K-HB3 B 1.371 ambi=2 { CB:34.045 } ::sumAvg: 4.535 atom: 619 55K-HB2 B 1.756 ambi=2 { CB:34.045 } atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } :: atom: 620 55K-HB3 B 1.371 ambi=2 { CB:34.045 } atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } ::sumAvg: 4.535 atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } atom: 636 56E-HB2 B 2.021 ambi=2 { CB:33.86 } :: atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } atom: 637 56E-HB3 B 2.086 ambi=2 { CB:33.86 } ::sumAvg: 4.735 atom: 636 56E-HB2 B 2.021 ambi=2 { CB:33.86 } atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } :: atom: 637 56E-HB3 B 2.086 ambi=2 { CB:33.86 } atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } ::sumAvg: 4.735 atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } atom: 716 64G-H N 8.182 ambi=1 { N:110.73 } ::sumAvg: 4.935 atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } :: atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } ::sumAvg: 3.445 atom: 608 54I-HG2 G2 0.75 ambi=1 { CG2:19.126 } atom: 724 65V-HB B 1.687 ambi=1 { CB:32.397 } ::sumAvg: 4.95 atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } atom: 647 57D-HB2 B 3.657 ambi=2 { CB:43.612 } :: atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } atom: 648 57D-HB3 B 2.714 ambi=2 { CB:43.612 } ::sumAvg: 4.165 atom: 647 57D-HB2 B 3.657 ambi=2 { CB:43.612 } atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } :: atom: 648 57D-HB3 B 2.714 ambi=2 { CB:43.612 } atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } ::sumAvg: 4.165 atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } atom: 707 63V-HB B 2.031 ambi=1 { CB:31.96 } ::sumAvg: 4.835 atom: 707 63V-HB B 2.031 ambi=1 { CB:31.96 } atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } ::sumAvg: 4.835 atom: 708 63V-HG1 G1 0.946 ambi=2 { CG1:21.066 } atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } :: atom: 709 63V-HG2 G2 0.928 ambi=2 { CG2:23.323 } atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } ::sumAvg: 4.97 atom: 754 67M-HG2 G 2.676 ambi=2 { CG:34.072 } atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } :: atom: 755 67M-HG3 G 3.448 ambi=2 { CG:34.072 } atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } ::sumAvg: 4.64 atom: 861 77I-HB B 1.137 ambi=1 { CB:42.237 } atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } ::sumAvg: 4.06 atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } ::sumAvg: 4.215 atom: 948 84V-HB B 1.536 ambi=1 { CB:35.191 } atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } ::sumAvg: 4.715 atom: 950 84V-HG2 G2 0.964 ambi=2 { CG2:22.66 } atom: 609 54I-HD1 D1 0.506 ambi=1 { CD1:13.926 } ::sumAvg: 4.04 atom: 621 55K-HG2 G 1.222 ambi=2 { CG:25.509 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } :: atom: 622 55K-HG3 G 1.118 ambi=2 { CG:25.509 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } ::sumAvg: 3.365 atom: 623 55K-HD2 D 1.644 ambi=2 { CD:28.841 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } :: atom: 624 55K-HD3 D 1.3 ambi=2 { CD:28.841 } atom: 617 55K-H N 8.918 ambi=1 { N:130.286 } ::sumAvg: 4.475 atom: 623 55K-HD2 D 1.644 ambi=2 { CD:28.841 } atom: 618 55K-HA A 3.562 ambi=1 { CA:58.854 } :: atom: 624 55K-HD3 D 1.3 ambi=2 { CD:28.841 } atom: 618 55K-HA A 3.562 ambi=1 { CA:58.854 } ::sumAvg: 4.465 atom: 625 55K-HE2 E 2.887 ambi=2 { CE:42.47 } atom: 618 55K-HA A 3.562 ambi=1 { CA:58.854 } :: atom: 626 55K-HE3 E 2.865 ambi=2 { CE:42.47 } atom: 618 55K-HA A 3.562 ambi=1 { CA:58.854 } ::sumAvg: 4.79 atom: 618 55K-HA A 3.562 ambi=1 { CA:58.854 } atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } ::sumAvg: 4.625 atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } atom: 618 55K-HA A 3.562 ambi=1 { CA:58.854 } ::sumAvg: 4.625 atom: 636 56E-HB2 B 2.021 ambi=2 { CB:33.86 } atom: 618 55K-HA A 3.562 ambi=1 { CA:58.854 } :: atom: 637 56E-HB3 B 2.086 ambi=2 { CB:33.86 } atom: 618 55K-HA A 3.562 ambi=1 { CA:58.854 } ::sumAvg: 4.885 atom: 725 65V-HG1 G1 0.796 ambi=2 { CG1:20.929 } atom: 618 55K-HA A 3.562 ambi=1 { CA:58.854 } :: atom: 726 65V-HG2 G2 0.676 ambi=2 { CG2:22.81 } atom: 618 55K-HA A 3.562 ambi=1 { CA:58.854 } ::sumAvg: 4.415 atom: 621 55K-HG2 G 1.222 ambi=2 { CG:25.509 } atom: 619 55K-HB2 B 1.756 ambi=2 { CB:34.045 } :: atom: 622 55K-HG3 G 1.118 ambi=2 { CG:25.509 } atom: 619 55K-HB2 B 1.756 ambi=2 { CB:34.045 } ::sumAvg: 2.39 atom: 619 55K-HB2 B 1.756 ambi=2 { CB:34.045 } atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } :: atom: 620 55K-HB3 B 1.371 ambi=2 { CB:34.045 } atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } ::sumAvg: 4.81 atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } atom: 619 55K-HB2 B 1.756 ambi=2 { CB:34.045 } :: atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } atom: 620 55K-HB3 B 1.371 ambi=2 { CB:34.045 } ::sumAvg: 4.81 atom: 620 55K-HB3 B 1.371 ambi=2 { CB:34.045 } atom: 636 56E-HB2 B 2.021 ambi=2 { CB:33.86 } :: atom: 620 55K-HB3 B 1.371 ambi=2 { CB:34.045 } atom: 637 56E-HB3 B 2.086 ambi=2 { CB:33.86 } ::sumAvg: 3.9 atom: 621 55K-HG2 G 1.222 ambi=2 { CG:25.509 } atom: 634 56E-H N 7.53 ambi=1 { N:113.728 } :: atom: 622 55K-HG3 G 1.118 ambi=2 { CG:25.509 } atom: 634 56E-H N 7.53 ambi=1 { N:113.728 } ::sumAvg: 3.265 atom: 621 55K-HG2 G 1.222 ambi=2 { CG:25.509 } atom: 636 56E-HB2 B 2.021 ambi=2 { CB:33.86 } :: atom: 621 55K-HG2 G 1.222 ambi=2 { CG:25.509 } atom: 637 56E-HB3 B 2.086 ambi=2 { CB:33.86 } :: atom: 622 55K-HG3 G 1.118 ambi=2 { CG:25.509 } atom: 636 56E-HB2 B 2.021 ambi=2 { CB:33.86 } :: atom: 622 55K-HG3 G 1.118 ambi=2 { CG:25.509 } atom: 637 56E-HB3 B 2.086 ambi=2 { CB:33.86 } ::sumAvg: 4.45 atom: 623 55K-HD2 D 1.644 ambi=2 { CD:28.841 } atom: 637 56E-HB3 B 2.086 ambi=2 { CB:33.86 } :: atom: 624 55K-HD3 D 1.3 ambi=2 { CD:28.841 } atom: 636 56E-HB2 B 2.021 ambi=2 { CB:33.86 } :: atom: 624 55K-HD3 D 1.3 ambi=2 { CD:28.841 } atom: 637 56E-HB3 B 2.086 ambi=2 { CB:33.86 } ::sumAvg: 4.935 atom: 637 56E-HB3 B 2.086 ambi=2 { CB:33.86 } atom: 623 55K-HD2 D 1.644 ambi=2 { CD:28.841 } :: atom: 636 56E-HB2 B 2.021 ambi=2 { CB:33.86 } atom: 624 55K-HD3 D 1.3 ambi=2 { CD:28.841 } :: atom: 637 56E-HB3 B 2.086 ambi=2 { CB:33.86 } atom: 624 55K-HD3 D 1.3 ambi=2 { CD:28.841 } ::sumAvg: 4.935 atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } atom: 634 56E-H N 7.53 ambi=1 { N:113.728 } ::sumAvg: 4.895 atom: 647 57D-HB2 B 3.657 ambi=2 { CB:43.612 } atom: 634 56E-H N 7.53 ambi=1 { N:113.728 } :: atom: 648 57D-HB3 B 2.714 ambi=2 { CB:43.612 } atom: 634 56E-H N 7.53 ambi=1 { N:113.728 } ::sumAvg: 4.905 atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } ::sumAvg: 4.48 atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } ::sumAvg: 4.48 atom: 647 57D-HB2 B 3.657 ambi=2 { CB:43.612 } atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } :: atom: 648 57D-HB3 B 2.714 ambi=2 { CB:43.612 } atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } ::sumAvg: 4.34 atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } atom: 697 62Q-HE21 E2 7.795 ambi=2 { NE2:119.06 } :: atom: 635 56E-HA A 4.601 ambi=1 { CA:54.88 } atom: 698 62Q-HE22 E2 6.841 ambi=2 { NE2:119.06 } ::sumAvg: 4.845 atom: 636 56E-HB2 B 2.021 ambi=2 { CB:33.86 } atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } :: atom: 637 56E-HB3 B 2.086 ambi=2 { CB:33.86 } atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } ::sumAvg: 4.625 atom: 638 56E-HG2 G 2.273 ambi=2 { CG:36.58 } atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } :: atom: 639 56E-HG3 G 2.107 ambi=2 { CG:36.58 } atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } ::sumAvg: 3.47 atom: 647 57D-HB2 B 3.657 ambi=2 { CB:43.612 } atom: 645 57D-H N 9.178 ambi=1 { N:121.386 } :: atom: 648 57D-HB3 B 2.714 ambi=2 { CB:43.612 } atom: 645 57D-H N 9.178 ambi=1 { N:121.386 } ::sumAvg: 3.11 atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } atom: 654 58N-HA A 5.056 ambi=1 { CA:50.539 } ::sumAvg: 4.395 atom: 654 58N-HA A 5.056 ambi=1 { CA:50.539 } atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } ::sumAvg: 4.395 atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } atom: 655 58N-HB2 B 3.314 ambi=2 { CB:36.414 } :: atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } atom: 656 58N-HB3 B 2.668 ambi=2 { CB:36.414 } ::sumAvg: 4.425 atom: 655 58N-HB2 B 3.314 ambi=2 { CB:36.414 } atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } :: atom: 656 58N-HB3 B 2.668 ambi=2 { CB:36.414 } atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } ::sumAvg: 4.425 atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } atom: 664 59S-H N 9.59 ambi=1 { N:121.122 } ::sumAvg: 4.725 atom: 646 57D-HA A 3.896 ambi=1 { CA:53.551 } atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } ::sumAvg: 3.645 atom: 647 57D-HB2 B 3.657 ambi=2 { CB:43.612 } atom: 654 58N-HA A 5.056 ambi=1 { CA:50.539 } :: atom: 648 57D-HB3 B 2.714 ambi=2 { CB:43.612 } atom: 654 58N-HA A 5.056 ambi=1 { CA:50.539 } ::sumAvg: 4.995 atom: 654 58N-HA A 5.056 ambi=1 { CA:50.539 } atom: 647 57D-HB2 B 3.657 ambi=2 { CB:43.612 } :: atom: 654 58N-HA A 5.056 ambi=1 { CA:50.539 } atom: 648 57D-HB3 B 2.714 ambi=2 { CB:43.612 } ::sumAvg: 4.995 atom: 647 57D-HB2 B 3.657 ambi=2 { CB:43.612 } atom: 664 59S-H N 9.59 ambi=1 { N:121.122 } :: atom: 648 57D-HB3 B 2.714 ambi=2 { CB:43.612 } atom: 664 59S-H N 9.59 ambi=1 { N:121.122 } ::sumAvg: 4.055 atom: 647 57D-HB2 B 3.657 ambi=2 { CB:43.612 } atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } :: atom: 648 57D-HB3 B 2.714 ambi=2 { CB:43.612 } atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } ::sumAvg: 3.95 atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } atom: 647 57D-HB2 B 3.657 ambi=2 { CB:43.612 } :: atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } atom: 648 57D-HB3 B 2.714 ambi=2 { CB:43.612 } ::sumAvg: 3.95 atom: 692 62Q-HA A 3.707 ambi=1 { CA:56.514 } atom: 648 57D-HB3 B 2.714 ambi=2 { CB:43.612 } ::sumAvg: 4.725 atom: 647 57D-HB2 B 3.657 ambi=2 { CB:43.612 } atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } :: atom: 648 57D-HB3 B 2.714 ambi=2 { CB:43.612 } atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } ::sumAvg: 3.145 atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } atom: 653 58N-H N 7.311 ambi=1 { N:113.344 } ::sumAvg: 4.93 atom: 654 58N-HA A 5.056 ambi=1 { CA:50.539 } atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } ::sumAvg: 4.525 atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } atom: 654 58N-HA A 5.056 ambi=1 { CA:50.539 } ::sumAvg: 4.525 atom: 654 58N-HA A 5.056 ambi=1 { CA:50.539 } atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } ::sumAvg: 4.385 atom: 655 58N-HB2 B 3.314 ambi=2 { CB:36.414 } atom: 664 59S-H N 9.59 ambi=1 { N:121.122 } :: atom: 656 58N-HB3 B 2.668 ambi=2 { CB:36.414 } atom: 664 59S-H N 9.59 ambi=1 { N:121.122 } ::sumAvg: 4.315 atom: 655 58N-HB2 B 3.314 ambi=2 { CB:36.414 } atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } :: atom: 656 58N-HB3 B 2.668 ambi=2 { CB:36.414 } atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } ::sumAvg: 4.755 atom: 676 60P-HD2 D 3.497 ambi=2 { CD:50.337 } atom: 664 59S-H N 9.59 ambi=1 { N:121.122 } :: atom: 677 60P-HD3 D 4.003 ambi=2 { CD:50.337 } atom: 664 59S-H N 9.59 ambi=1 { N:121.122 } ::sumAvg: 4.655 atom: 692 62Q-HA A 3.707 ambi=1 { CA:56.514 } atom: 664 59S-H N 9.59 ambi=1 { N:121.122 } ::sumAvg: 4.055 atom: 695 62Q-HG2 G 2.196 ambi=2 { CG:33.811 } atom: 664 59S-H N 9.59 ambi=1 { N:121.122 } :: atom: 696 62Q-HG3 G 1.951 ambi=2 { CG:33.811 } atom: 664 59S-H N 9.59 ambi=1 { N:121.122 } ::sumAvg: 3.515 atom: 725 65V-HG1 G1 0.796 ambi=2 { CG1:20.929 } atom: 664 59S-H N 9.59 ambi=1 { N:121.122 } :: atom: 726 65V-HG2 G2 0.676 ambi=2 { CG2:22.81 } atom: 664 59S-H N 9.59 ambi=1 { N:121.122 } ::sumAvg: 4.89 atom: 674 60P-HG2 G 2.206 ambi=2 { CG:27.65 } atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } :: atom: 675 60P-HG3 G 2.078 ambi=2 { CG:27.65 } atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } ::sumAvg: 4.28 atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } atom: 683 61D-H N 7.983 ambi=1 { N:112.568 } ::sumAvg: 4.005 atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } atom: 691 62Q-H N 7.839 ambi=1 { N:113.73 } ::sumAvg: 4.485 atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } atom: 697 62Q-HE21 E2 7.795 ambi=2 { NE2:119.06 } :: atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } atom: 698 62Q-HE22 E2 6.841 ambi=2 { NE2:119.06 } ::sumAvg: 4.995 atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } atom: 906 81P-HB2 B 2.518 ambi=2 { CB:30.672 } :: atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } atom: 907 81P-HB3 B 1.532 ambi=2 { CB:30.672 } ::sumAvg: 3.785 atom: 906 81P-HB2 B 2.518 ambi=2 { CB:30.672 } atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } :: atom: 907 81P-HB3 B 1.532 ambi=2 { CB:30.672 } atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } ::sumAvg: 3.785 atom: 908 81P-HG2 G 2.102 ambi=2 { CG:28.428 } atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } :: atom: 909 81P-HG3 G 2.048 ambi=2 { CG:28.428 } atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } ::sumAvg: 4.005 atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } ::sumAvg: 4.19 atom: 685 61D-HB2 B 2.831 ambi=2 { CB:41.428 } atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } :: atom: 686 61D-HB3 B 2.679 ambi=2 { CB:41.428 } atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } ::sumAvg: 4.475 atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } atom: 692 62Q-HA A 3.707 ambi=1 { CA:56.514 } ::sumAvg: 3.525 atom: 692 62Q-HA A 3.707 ambi=1 { CA:56.514 } atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } ::sumAvg: 3.525 atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } atom: 695 62Q-HG2 G 2.196 ambi=2 { CG:33.811 } :: atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } atom: 696 62Q-HG3 G 1.951 ambi=2 { CG:33.811 } :: atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } atom: 695 62Q-HG2 G 2.196 ambi=2 { CG:33.811 } :: atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } atom: 696 62Q-HG3 G 1.951 ambi=2 { CG:33.811 } ::sumAvg: 3.915 atom: 695 62Q-HG2 G 2.196 ambi=2 { CG:33.811 } atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } :: atom: 696 62Q-HG3 G 1.951 ambi=2 { CG:33.811 } atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } :: atom: 695 62Q-HG2 G 2.196 ambi=2 { CG:33.811 } atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } :: atom: 696 62Q-HG3 G 1.951 ambi=2 { CG:33.811 } atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } ::sumAvg: 3.915 atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } atom: 708 63V-HG1 G1 0.946 ambi=2 { CG1:21.066 } :: atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } atom: 709 63V-HG2 G2 0.928 ambi=2 { CG2:23.323 } :: atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } atom: 708 63V-HG1 G1 0.946 ambi=2 { CG1:21.066 } :: atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } atom: 709 63V-HG2 G2 0.928 ambi=2 { CG2:23.323 } ::sumAvg: 4.615 atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } :: atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } ::sumAvg: 4.535 atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } :: atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } ::sumAvg: 4.535 atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } atom: 906 81P-HB2 B 2.518 ambi=2 { CB:30.672 } :: atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } atom: 907 81P-HB3 B 1.532 ambi=2 { CB:30.672 } :: atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } atom: 907 81P-HB3 B 1.532 ambi=2 { CB:30.672 } ::sumAvg: 3.44 atom: 906 81P-HB2 B 2.518 ambi=2 { CB:30.672 } atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } :: atom: 907 81P-HB3 B 1.532 ambi=2 { CB:30.672 } atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } :: atom: 907 81P-HB3 B 1.532 ambi=2 { CB:30.672 } atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } ::sumAvg: 3.44 atom: 908 81P-HG2 G 2.102 ambi=2 { CG:28.428 } atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } :: atom: 909 81P-HG3 G 2.048 ambi=2 { CG:28.428 } atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } :: atom: 908 81P-HG2 G 2.102 ambi=2 { CG:28.428 } atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } :: atom: 909 81P-HG3 G 2.048 ambi=2 { CG:28.428 } atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } ::sumAvg: 3.3 atom: 910 81P-QD D 3.957 ambi=2 { CD:51.601 } atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } ::sumAvg: 3.94 atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } :: atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } ::sumAvg: 4.015 atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } :: atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } ::sumAvg: 4.36 atom: 695 62Q-HG2 G 2.196 ambi=2 { CG:33.811 } atom: 671 60P-HA A 4.425 ambi=1 { CA:64.418 } :: atom: 696 62Q-HG3 G 1.951 ambi=2 { CG:33.811 } atom: 671 60P-HA A 4.425 ambi=1 { CA:64.418 } ::sumAvg: 4.215 atom: 672 60P-HB2 B 2.418 ambi=2 { CB:31.727 } atom: 684 61D-HA A 4.606 ambi=1 { CA:53.802 } :: atom: 673 60P-HB3 B 2.044 ambi=2 { CB:31.727 } atom: 684 61D-HA A 4.606 ambi=1 { CA:53.802 } ::sumAvg: 4.19 atom: 684 61D-HA A 4.606 ambi=1 { CA:53.802 } atom: 672 60P-HB2 B 2.418 ambi=2 { CB:31.727 } :: atom: 684 61D-HA A 4.606 ambi=1 { CA:53.802 } atom: 673 60P-HB3 B 2.044 ambi=2 { CB:31.727 } ::sumAvg: 4.19 atom: 685 61D-HB2 B 2.831 ambi=2 { CB:41.428 } atom: 674 60P-HG2 G 2.206 ambi=2 { CG:27.65 } :: atom: 686 61D-HB3 B 2.679 ambi=2 { CB:41.428 } atom: 674 60P-HG2 G 2.206 ambi=2 { CG:27.65 } :: atom: 685 61D-HB2 B 2.831 ambi=2 { CB:41.428 } atom: 675 60P-HG3 G 2.078 ambi=2 { CG:27.65 } :: atom: 686 61D-HB3 B 2.679 ambi=2 { CB:41.428 } atom: 675 60P-HG3 G 2.078 ambi=2 { CG:27.65 } ::sumAvg: 4.885 atom: 685 61D-HB2 B 2.831 ambi=2 { CB:41.428 } atom: 676 60P-HD2 D 3.497 ambi=2 { CD:50.337 } :: atom: 686 61D-HB3 B 2.679 ambi=2 { CB:41.428 } atom: 676 60P-HD2 D 3.497 ambi=2 { CD:50.337 } :: atom: 685 61D-HB2 B 2.831 ambi=2 { CB:41.428 } atom: 677 60P-HD3 D 4.003 ambi=2 { CD:50.337 } :: atom: 686 61D-HB3 B 2.679 ambi=2 { CB:41.428 } atom: 677 60P-HD3 D 4.003 ambi=2 { CD:50.337 } ::sumAvg: 4.745 atom: 676 60P-HD2 D 3.497 ambi=2 { CD:50.337 } atom: 691 62Q-H N 7.839 ambi=1 { N:113.73 } :: atom: 677 60P-HD3 D 4.003 ambi=2 { CD:50.337 } atom: 691 62Q-H N 7.839 ambi=1 { N:113.73 } ::sumAvg: 4.46 atom: 910 81P-QD D 3.957 ambi=2 { CD:51.601 } atom: 676 60P-HD2 D 3.497 ambi=2 { CD:50.337 } ::sumAvg: 4.475 atom: 676 60P-HD2 D 3.497 ambi=2 { CD:50.337 } atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } :: atom: 677 60P-HD3 D 4.003 ambi=2 { CD:50.337 } atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } ::sumAvg: 4.79 atom: 692 62Q-HA A 3.707 ambi=1 { CA:56.514 } atom: 683 61D-H N 7.983 ambi=1 { N:112.568 } ::sumAvg: 4.635 atom: 910 81P-QD D 3.957 ambi=2 { CD:51.601 } atom: 683 61D-H N 7.983 ambi=1 { N:112.568 } ::sumAvg: 4.875 atom: 684 61D-HA A 4.606 ambi=1 { CA:53.802 } atom: 693 62Q-HB2 B 2.361 ambi=2 { CB:26.576 } :: atom: 684 61D-HA A 4.606 ambi=1 { CA:53.802 } atom: 694 62Q-HB3 B 2.216 ambi=2 { CB:26.576 } ::sumAvg: 4.44 atom: 693 62Q-HB2 B 2.361 ambi=2 { CB:26.576 } atom: 684 61D-HA A 4.606 ambi=1 { CA:53.802 } :: atom: 694 62Q-HB3 B 2.216 ambi=2 { CB:26.576 } atom: 684 61D-HA A 4.606 ambi=1 { CA:53.802 } ::sumAvg: 4.44 atom: 684 61D-HA A 4.606 ambi=1 { CA:53.802 } atom: 695 62Q-HG2 G 2.196 ambi=2 { CG:33.811 } :: atom: 684 61D-HA A 4.606 ambi=1 { CA:53.802 } atom: 696 62Q-HG3 G 1.951 ambi=2 { CG:33.811 } ::sumAvg: 4.59 atom: 695 62Q-HG2 G 2.196 ambi=2 { CG:33.811 } atom: 684 61D-HA A 4.606 ambi=1 { CA:53.802 } :: atom: 696 62Q-HG3 G 1.951 ambi=2 { CG:33.811 } atom: 684 61D-HA A 4.606 ambi=1 { CA:53.802 } ::sumAvg: 4.59 atom: 684 61D-HA A 4.606 ambi=1 { CA:53.802 } atom: 705 63V-H N 7.305 ambi=1 { N:121.045 } ::sumAvg: 4.635 atom: 685 61D-HB2 B 2.831 ambi=2 { CB:41.428 } atom: 692 62Q-HA A 3.707 ambi=1 { CA:56.514 } :: atom: 686 61D-HB3 B 2.679 ambi=2 { CB:41.428 } atom: 692 62Q-HA A 3.707 ambi=1 { CA:56.514 } ::sumAvg: 4.725 atom: 692 62Q-HA A 3.707 ambi=1 { CA:56.514 } atom: 685 61D-HB2 B 2.831 ambi=2 { CB:41.428 } :: atom: 692 62Q-HA A 3.707 ambi=1 { CA:56.514 } atom: 686 61D-HB3 B 2.679 ambi=2 { CB:41.428 } ::sumAvg: 4.725 atom: 685 61D-HB2 B 2.831 ambi=2 { CB:41.428 } atom: 706 63V-HA A 3.397 ambi=1 { CA:67.203 } :: atom: 686 61D-HB3 B 2.679 ambi=2 { CB:41.428 } atom: 706 63V-HA A 3.397 ambi=1 { CA:67.203 } ::sumAvg: 4.48 atom: 706 63V-HA A 3.397 ambi=1 { CA:67.203 } atom: 685 61D-HB2 B 2.831 ambi=2 { CB:41.428 } :: atom: 706 63V-HA A 3.397 ambi=1 { CA:67.203 } atom: 686 61D-HB3 B 2.679 ambi=2 { CB:41.428 } ::sumAvg: 4.48 atom: 685 61D-HB2 B 2.831 ambi=2 { CB:41.428 } atom: 707 63V-HB B 2.031 ambi=1 { CB:31.96 } :: atom: 686 61D-HB3 B 2.679 ambi=2 { CB:41.428 } atom: 707 63V-HB B 2.031 ambi=1 { CB:31.96 } ::sumAvg: 4.3 atom: 685 61D-HB2 B 2.831 ambi=2 { CB:41.428 } atom: 908 81P-HG2 G 2.102 ambi=2 { CG:28.428 } :: atom: 685 61D-HB2 B 2.831 ambi=2 { CB:41.428 } atom: 909 81P-HG3 G 2.048 ambi=2 { CG:28.428 } :: atom: 686 61D-HB3 B 2.679 ambi=2 { CB:41.428 } atom: 908 81P-HG2 G 2.102 ambi=2 { CG:28.428 } :: atom: 686 61D-HB3 B 2.679 ambi=2 { CB:41.428 } atom: 909 81P-HG3 G 2.048 ambi=2 { CG:28.428 } ::sumAvg: 3.76 atom: 685 61D-HB2 B 2.831 ambi=2 { CB:41.428 } atom: 910 81P-QD D 3.957 ambi=2 { CD:51.601 } :: atom: 686 61D-HB3 B 2.679 ambi=2 { CB:41.428 } atom: 910 81P-QD D 3.957 ambi=2 { CD:51.601 } ::sumAvg: 4.235 atom: 910 81P-QD D 3.957 ambi=2 { CD:51.601 } atom: 685 61D-HB2 B 2.831 ambi=2 { CB:41.428 } :: atom: 910 81P-QD D 3.957 ambi=2 { CD:51.601 } atom: 686 61D-HB3 B 2.679 ambi=2 { CB:41.428 } ::sumAvg: 4.235 atom: 908 81P-HG2 G 2.102 ambi=2 { CG:28.428 } atom: 691 62Q-H N 7.839 ambi=1 { N:113.73 } :: atom: 909 81P-HG3 G 2.048 ambi=2 { CG:28.428 } atom: 691 62Q-H N 7.839 ambi=1 { N:113.73 } ::sumAvg: 4.665 atom: 692 62Q-HA A 3.707 ambi=1 { CA:56.514 } atom: 708 63V-HG1 G1 0.946 ambi=2 { CG1:21.066 } :: atom: 692 62Q-HA A 3.707 ambi=1 { CA:56.514 } atom: 709 63V-HG2 G2 0.928 ambi=2 { CG2:23.323 } ::sumAvg: 4.375 atom: 708 63V-HG1 G1 0.946 ambi=2 { CG1:21.066 } atom: 692 62Q-HA A 3.707 ambi=1 { CA:56.514 } :: atom: 709 63V-HG2 G2 0.928 ambi=2 { CG2:23.323 } atom: 692 62Q-HA A 3.707 ambi=1 { CA:56.514 } ::sumAvg: 4.375 atom: 692 62Q-HA A 3.707 ambi=1 { CA:56.514 } atom: 716 64G-H N 8.182 ambi=1 { N:110.73 } ::sumAvg: 3.735 atom: 693 62Q-HB2 B 2.361 ambi=2 { CB:26.576 } atom: 705 63V-H N 7.305 ambi=1 { N:121.045 } :: atom: 694 62Q-HB3 B 2.216 ambi=2 { CB:26.576 } atom: 705 63V-H N 7.305 ambi=1 { N:121.045 } ::sumAvg: 4.105 atom: 693 62Q-HB2 B 2.361 ambi=2 { CB:26.576 } atom: 706 63V-HA A 3.397 ambi=1 { CA:67.203 } :: atom: 694 62Q-HB3 B 2.216 ambi=2 { CB:26.576 } atom: 706 63V-HA A 3.397 ambi=1 { CA:67.203 } ::sumAvg: 4.855 atom: 706 63V-HA A 3.397 ambi=1 { CA:67.203 } atom: 693 62Q-HB2 B 2.361 ambi=2 { CB:26.576 } :: atom: 706 63V-HA A 3.397 ambi=1 { CA:67.203 } atom: 694 62Q-HB3 B 2.216 ambi=2 { CB:26.576 } ::sumAvg: 4.855 atom: 693 62Q-HB2 B 2.361 ambi=2 { CB:26.576 } atom: 708 63V-HG1 G1 0.946 ambi=2 { CG1:21.066 } :: atom: 693 62Q-HB2 B 2.361 ambi=2 { CB:26.576 } atom: 709 63V-HG2 G2 0.928 ambi=2 { CG2:23.323 } :: atom: 694 62Q-HB3 B 2.216 ambi=2 { CB:26.576 } atom: 708 63V-HG1 G1 0.946 ambi=2 { CG1:21.066 } :: atom: 694 62Q-HB3 B 2.216 ambi=2 { CB:26.576 } atom: 709 63V-HG2 G2 0.928 ambi=2 { CG2:23.323 } ::sumAvg: 4.985 atom: 693 62Q-HB2 B 2.361 ambi=2 { CB:26.576 } atom: 722 65V-H N 8.108 ambi=1 { N:124.697 } :: atom: 694 62Q-HB3 B 2.216 ambi=2 { CB:26.576 } atom: 722 65V-H N 8.108 ambi=1 { N:124.697 } ::sumAvg: 3.91 atom: 693 62Q-HB2 B 2.361 ambi=2 { CB:26.576 } atom: 733 66K-H N 8.14 ambi=1 { N:120.07 } :: atom: 694 62Q-HB3 B 2.216 ambi=2 { CB:26.576 } atom: 733 66K-H N 8.14 ambi=1 { N:120.07 } ::sumAvg: 4.115 atom: 735 66K-QB B 1.925 ambi=2 { CB:32.242 } atom: 693 62Q-HB2 B 2.361 ambi=2 { CB:26.576 } ::sumAvg: 4.94 atom: 737 66K-HG2 G 1.706 ambi=2 { CG:26.394 } atom: 693 62Q-HB2 B 2.361 ambi=2 { CB:26.576 } :: atom: 738 66K-HG3 G 1.488 ambi=2 { CG:26.394 } atom: 693 62Q-HB2 B 2.361 ambi=2 { CB:26.576 } :: atom: 737 66K-HG2 G 1.706 ambi=2 { CG:26.394 } atom: 694 62Q-HB3 B 2.216 ambi=2 { CB:26.576 } :: atom: 738 66K-HG3 G 1.488 ambi=2 { CG:26.394 } atom: 694 62Q-HB3 B 2.216 ambi=2 { CB:26.576 } ::sumAvg: 4.295 atom: 739 66K-HD2 D 1.613 ambi=2 { CD:29.378 } atom: 693 62Q-HB2 B 2.361 ambi=2 { CB:26.576 } :: atom: 740 66K-HD3 D 1.682 ambi=2 { CD:29.378 } atom: 693 62Q-HB2 B 2.361 ambi=2 { CB:26.576 } :: atom: 739 66K-HD2 D 1.613 ambi=2 { CD:29.378 } atom: 694 62Q-HB3 B 2.216 ambi=2 { CB:26.576 } :: atom: 740 66K-HD3 D 1.682 ambi=2 { CD:29.378 } atom: 694 62Q-HB3 B 2.216 ambi=2 { CB:26.576 } ::sumAvg: 3.81 atom: 741 66K-HE2 E 2.955 ambi=2 { CE:42.312 } atom: 693 62Q-HB2 B 2.361 ambi=2 { CB:26.576 } :: atom: 742 66K-HE3 E 2.937 ambi=2 { CE:42.312 } atom: 693 62Q-HB2 B 2.361 ambi=2 { CB:26.576 } :: atom: 741 66K-HE2 E 2.955 ambi=2 { CE:42.312 } atom: 694 62Q-HB3 B 2.216 ambi=2 { CB:26.576 } :: atom: 742 66K-HE3 E 2.937 ambi=2 { CE:42.312 } atom: 694 62Q-HB3 B 2.216 ambi=2 { CB:26.576 } ::sumAvg: 3.75 atom: 695 62Q-HG2 G 2.196 ambi=2 { CG:33.811 } atom: 705 63V-H N 7.305 ambi=1 { N:121.045 } :: atom: 696 62Q-HG3 G 1.951 ambi=2 { CG:33.811 } atom: 705 63V-H N 7.305 ambi=1 { N:121.045 } ::sumAvg: 4.845 atom: 735 66K-QB B 1.925 ambi=2 { CB:32.242 } atom: 705 63V-H N 7.305 ambi=1 { N:121.045 } ::sumAvg: 4.71 atom: 739 66K-HD2 D 1.613 ambi=2 { CD:29.378 } atom: 705 63V-H N 7.305 ambi=1 { N:121.045 } :: atom: 740 66K-HD3 D 1.682 ambi=2 { CD:29.378 } atom: 705 63V-H N 7.305 ambi=1 { N:121.045 } ::sumAvg: 4.675 atom: 737 66K-HG2 G 1.706 ambi=2 { CG:26.394 } atom: 706 63V-HA A 3.397 ambi=1 { CA:67.203 } :: atom: 738 66K-HG3 G 1.488 ambi=2 { CG:26.394 } atom: 706 63V-HA A 3.397 ambi=1 { CA:67.203 } ::sumAvg: 3.975 atom: 706 63V-HA A 3.397 ambi=1 { CA:67.203 } atom: 741 66K-HE2 E 2.955 ambi=2 { CE:42.312 } :: atom: 706 63V-HA A 3.397 ambi=1 { CA:67.203 } atom: 742 66K-HE3 E 2.937 ambi=2 { CE:42.312 } ::sumAvg: 4.78 atom: 741 66K-HE2 E 2.955 ambi=2 { CE:42.312 } atom: 706 63V-HA A 3.397 ambi=1 { CA:67.203 } :: atom: 742 66K-HE3 E 2.937 ambi=2 { CE:42.312 } atom: 706 63V-HA A 3.397 ambi=1 { CA:67.203 } ::sumAvg: 4.78 atom: 706 63V-HA A 3.397 ambi=1 { CA:67.203 } atom: 750 67M-H N 7.716 ambi=1 { N:118.739 } ::sumAvg: 4.35 atom: 706 63V-HA A 3.397 ambi=1 { CA:67.203 } atom: 754 67M-HG2 G 2.676 ambi=2 { CG:34.072 } ::sumAvg: 4.215 atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } atom: 707 63V-HB B 2.031 ambi=1 { CB:31.96 } :: atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } atom: 707 63V-HB B 2.031 ambi=1 { CB:31.96 } ::sumAvg: 4.22 atom: 707 63V-HB B 2.031 ambi=1 { CB:31.96 } atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } ::sumAvg: 4.255 atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } atom: 707 63V-HB B 2.031 ambi=1 { CB:31.96 } ::sumAvg: 4.255 atom: 707 63V-HB B 2.031 ambi=1 { CB:31.96 } atom: 873 78V-H N 7.028 ambi=1 { N:123.767 } ::sumAvg: 4.795 atom: 707 63V-HB B 2.031 ambi=1 { CB:31.96 } atom: 885 79C-HA A 4.925 ambi=1 { CA:55.966 } ::sumAvg: 3.86 atom: 707 63V-HB B 2.031 ambi=1 { CB:31.96 } atom: 892 80L-H N 9.61 ambi=1 { N:129.147 } ::sumAvg: 4.925 atom: 739 66K-HD2 D 1.613 ambi=2 { CD:29.378 } atom: 708 63V-HG1 G1 0.946 ambi=2 { CG1:21.066 } :: atom: 740 66K-HD3 D 1.682 ambi=2 { CD:29.378 } atom: 708 63V-HG1 G1 0.946 ambi=2 { CG1:21.066 } :: atom: 739 66K-HD2 D 1.613 ambi=2 { CD:29.378 } atom: 709 63V-HG2 G2 0.928 ambi=2 { CG2:23.323 } :: atom: 740 66K-HD3 D 1.682 ambi=2 { CD:29.378 } atom: 709 63V-HG2 G2 0.928 ambi=2 { CG2:23.323 } ::sumAvg: 4.21 atom: 708 63V-HG1 G1 0.946 ambi=2 { CG1:21.066 } atom: 751 67M-HA A 4.146 ambi=1 { CA:58.955 } :: atom: 709 63V-HG2 G2 0.928 ambi=2 { CG2:23.323 } atom: 751 67M-HA A 4.146 ambi=1 { CA:58.955 } ::sumAvg: 4.885 atom: 908 81P-HG2 G 2.102 ambi=2 { CG:28.428 } atom: 708 63V-HG1 G1 0.946 ambi=2 { CG1:21.066 } :: atom: 909 81P-HG3 G 2.048 ambi=2 { CG:28.428 } atom: 708 63V-HG1 G1 0.946 ambi=2 { CG1:21.066 } :: atom: 908 81P-HG2 G 2.102 ambi=2 { CG:28.428 } atom: 709 63V-HG2 G2 0.928 ambi=2 { CG2:23.323 } :: atom: 909 81P-HG3 G 2.048 ambi=2 { CG:28.428 } atom: 709 63V-HG2 G2 0.928 ambi=2 { CG2:23.323 } ::sumAvg: 4.575 atom: 885 79C-HA A 4.925 ambi=1 { CA:55.966 } atom: 716 64G-H N 8.182 ambi=1 { N:110.73 } ::sumAvg: 4.65 atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } atom: 716 64G-H N 8.182 ambi=1 { N:110.73 } ::sumAvg: 4.995 atom: 725 65V-HG1 G1 0.796 ambi=2 { CG1:20.929 } atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } :: atom: 726 65V-HG2 G2 0.676 ambi=2 { CG2:22.81 } atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } :: atom: 725 65V-HG1 G1 0.796 ambi=2 { CG1:20.929 } atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } :: atom: 726 65V-HG2 G2 0.676 ambi=2 { CG2:22.81 } atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } ::sumAvg: 3.895 atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } atom: 754 67M-HG2 G 2.676 ambi=2 { CG:34.072 } :: atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } atom: 754 67M-HG2 G 2.676 ambi=2 { CG:34.072 } ::sumAvg: 3.005 atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } :: atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } ::sumAvg: 4.905 atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } :: atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } ::sumAvg: 4.505 atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } :: atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } ::sumAvg: 4.505 atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } :: atom: 863 77I-HG13 G1 0.897 ambi=2 { CG1:28.723 } atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } :: atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } :: atom: 863 77I-HG13 G1 0.897 ambi=2 { CG1:28.723 } atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } ::sumAvg: 4.975 atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } atom: 717 64G-HA2 A 3.786 ambi=2 { CA:48.442 } :: atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } atom: 718 64G-HA3 A 3.427 ambi=2 { CA:48.442 } ::sumAvg: 3.15 atom: 734 66K-HA A 3.994 ambi=1 { CA:59.001 } atom: 723 65V-HA A 3.485 ambi=1 { CA:66.186 } ::sumAvg: 4.8 atom: 723 65V-HA A 3.485 ambi=1 { CA:66.186 } atom: 750 67M-H N 7.716 ambi=1 { N:118.739 } ::sumAvg: 4.215 atom: 723 65V-HA A 3.485 ambi=1 { CA:66.186 } atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } :: atom: 723 65V-HA A 3.485 ambi=1 { CA:66.186 } atom: 753 67M-HB3 B 2.05 ambi=2 { CB:32.439 } ::sumAvg: 4.88 atom: 723 65V-HA A 3.485 ambi=1 { CA:66.186 } atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } ::sumAvg: 3.875 atom: 723 65V-HA A 3.485 ambi=1 { CA:66.186 } atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } ::sumAvg: 4.785 atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } atom: 723 65V-HA A 3.485 ambi=1 { CA:66.186 } ::sumAvg: 4.785 atom: 724 65V-HB B 1.687 ambi=1 { CB:32.397 } atom: 734 66K-HA A 3.994 ambi=1 { CA:59.001 } ::sumAvg: 4.305 atom: 737 66K-HG2 G 1.706 ambi=2 { CG:26.394 } atom: 725 65V-HG1 G1 0.796 ambi=2 { CG1:20.929 } :: atom: 738 66K-HG3 G 1.488 ambi=2 { CG:26.394 } atom: 725 65V-HG1 G1 0.796 ambi=2 { CG1:20.929 } :: atom: 737 66K-HG2 G 1.706 ambi=2 { CG:26.394 } atom: 726 65V-HG2 G2 0.676 ambi=2 { CG2:22.81 } :: atom: 738 66K-HG3 G 1.488 ambi=2 { CG:26.394 } atom: 726 65V-HG2 G2 0.676 ambi=2 { CG2:22.81 } ::sumAvg: 4.8 atom: 725 65V-HG1 G1 0.796 ambi=2 { CG1:20.929 } atom: 741 66K-HE2 E 2.955 ambi=2 { CE:42.312 } :: atom: 725 65V-HG1 G1 0.796 ambi=2 { CG1:20.929 } atom: 742 66K-HE3 E 2.937 ambi=2 { CE:42.312 } :: atom: 726 65V-HG2 G2 0.676 ambi=2 { CG2:22.81 } atom: 741 66K-HE2 E 2.955 ambi=2 { CE:42.312 } :: atom: 726 65V-HG2 G2 0.676 ambi=2 { CG2:22.81 } atom: 742 66K-HE3 E 2.937 ambi=2 { CE:42.312 } ::sumAvg: 4.975 atom: 741 66K-HE2 E 2.955 ambi=2 { CE:42.312 } atom: 725 65V-HG1 G1 0.796 ambi=2 { CG1:20.929 } :: atom: 742 66K-HE3 E 2.937 ambi=2 { CE:42.312 } atom: 725 65V-HG1 G1 0.796 ambi=2 { CG1:20.929 } :: atom: 741 66K-HE2 E 2.955 ambi=2 { CE:42.312 } atom: 726 65V-HG2 G2 0.676 ambi=2 { CG2:22.81 } :: atom: 742 66K-HE3 E 2.937 ambi=2 { CE:42.312 } atom: 726 65V-HG2 G2 0.676 ambi=2 { CG2:22.81 } ::sumAvg: 4.975 atom: 725 65V-HG1 G1 0.796 ambi=2 { CG1:20.929 } atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } :: atom: 726 65V-HG2 G2 0.676 ambi=2 { CG2:22.81 } atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } ::sumAvg: 4.75 atom: 734 66K-HA A 3.994 ambi=1 { CA:59.001 } atom: 741 66K-HE2 E 2.955 ambi=2 { CE:42.312 } :: atom: 734 66K-HA A 3.994 ambi=1 { CA:59.001 } atom: 742 66K-HE3 E 2.937 ambi=2 { CE:42.312 } ::sumAvg: 4.695 atom: 741 66K-HE2 E 2.955 ambi=2 { CE:42.312 } atom: 734 66K-HA A 3.994 ambi=1 { CA:59.001 } :: atom: 742 66K-HE3 E 2.937 ambi=2 { CE:42.312 } atom: 734 66K-HA A 3.994 ambi=1 { CA:59.001 } ::sumAvg: 4.695 atom: 735 66K-QB B 1.925 ambi=2 { CB:32.242 } atom: 751 67M-HA A 4.146 ambi=1 { CA:58.955 } ::sumAvg: 3.925 atom: 735 66K-QB B 1.925 ambi=2 { CB:32.242 } atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } ::sumAvg: 4.95 atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } atom: 735 66K-QB B 1.925 ambi=2 { CB:32.242 } ::sumAvg: 4.95 atom: 735 66K-QB B 1.925 ambi=2 { CB:32.242 } atom: 754 67M-HG2 G 2.676 ambi=2 { CG:34.072 } :: atom: 735 66K-QB B 1.925 ambi=2 { CB:32.242 } atom: 755 67M-HG3 G 3.448 ambi=2 { CG:34.072 } ::sumAvg: 3.725 atom: 754 67M-HG2 G 2.676 ambi=2 { CG:34.072 } atom: 735 66K-QB B 1.925 ambi=2 { CB:32.242 } :: atom: 755 67M-HG3 G 3.448 ambi=2 { CG:34.072 } atom: 735 66K-QB B 1.925 ambi=2 { CB:32.242 } ::sumAvg: 3.725 atom: 737 66K-HG2 G 1.706 ambi=2 { CG:26.394 } atom: 750 67M-H N 7.716 ambi=1 { N:118.739 } :: atom: 738 66K-HG3 G 1.488 ambi=2 { CG:26.394 } atom: 750 67M-H N 7.716 ambi=1 { N:118.739 } ::sumAvg: 4.795 atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } atom: 750 67M-H N 7.716 ambi=1 { N:118.739 } ::sumAvg: 4.5 atom: 751 67M-HA A 4.146 ambi=1 { CA:58.955 } atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } ::sumAvg: 4.58 atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } atom: 751 67M-HA A 4.146 ambi=1 { CA:58.955 } :: atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } atom: 751 67M-HA A 4.146 ambi=1 { CA:58.955 } ::sumAvg: 3.65 atom: 751 67M-HA A 4.146 ambi=1 { CA:58.955 } atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } ::sumAvg: 4.415 atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } atom: 751 67M-HA A 4.146 ambi=1 { CA:58.955 } ::sumAvg: 4.415 atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } :: atom: 753 67M-HB3 B 2.05 ambi=2 { CB:32.439 } atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } ::sumAvg: 2.74 atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } :: atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } :: atom: 753 67M-HB3 B 2.05 ambi=2 { CB:32.439 } atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } :: atom: 753 67M-HB3 B 2.05 ambi=2 { CB:32.439 } atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } ::sumAvg: 4.855 atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } :: atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } :: atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } atom: 753 67M-HB3 B 2.05 ambi=2 { CB:32.439 } :: atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } atom: 753 67M-HB3 B 2.05 ambi=2 { CB:32.439 } ::sumAvg: 4.855 atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } :: atom: 753 67M-HB3 B 2.05 ambi=2 { CB:32.439 } atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } ::sumAvg: 3.36 atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } atom: 794 70K-HD3 D 1.457 ambi=2 { CD:27.637 } :: atom: 753 67M-HB3 B 2.05 ambi=2 { CB:32.439 } atom: 794 70K-HD3 D 1.457 ambi=2 { CD:27.637 } ::sumAvg: 4.345 atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } :: atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } atom: 753 67M-HB3 B 2.05 ambi=2 { CB:32.439 } ::sumAvg: 4.61 atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } :: atom: 863 77I-HG13 G1 0.897 ambi=2 { CG1:28.723 } atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } :: atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } atom: 753 67M-HB3 B 2.05 ambi=2 { CB:32.439 } :: atom: 863 77I-HG13 G1 0.897 ambi=2 { CG1:28.723 } atom: 753 67M-HB3 B 2.05 ambi=2 { CB:32.439 } ::sumAvg: 4.72 atom: 752 67M-HB2 B 2.423 ambi=2 { CB:32.439 } atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } :: atom: 753 67M-HB3 B 2.05 ambi=2 { CB:32.439 } atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } ::sumAvg: 2.4 atom: 754 67M-HG2 G 2.676 ambi=2 { CG:34.072 } atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } :: atom: 755 67M-HG3 G 3.448 ambi=2 { CG:34.072 } atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } ::sumAvg: 4.445 atom: 754 67M-HG2 G 2.676 ambi=2 { CG:34.072 } atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } :: atom: 755 67M-HG3 G 3.448 ambi=2 { CG:34.072 } atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } ::sumAvg: 4.485 atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } atom: 754 67M-HG2 G 2.676 ambi=2 { CG:34.072 } :: atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } atom: 755 67M-HG3 G 3.448 ambi=2 { CG:34.072 } ::sumAvg: 4.485 atom: 754 67M-HG2 G 2.676 ambi=2 { CG:34.072 } atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } :: atom: 755 67M-HG3 G 3.448 ambi=2 { CG:34.072 } atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } ::sumAvg: 3.675 atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } atom: 754 67M-HG2 G 2.676 ambi=2 { CG:34.072 } :: atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } atom: 755 67M-HG3 G 3.448 ambi=2 { CG:34.072 } ::sumAvg: 3.675 atom: 754 67M-HG2 G 2.676 ambi=2 { CG:34.072 } atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } :: atom: 755 67M-HG3 G 3.448 ambi=2 { CG:34.072 } atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } ::sumAvg: 2.88 atom: 754 67M-HG2 G 2.676 ambi=2 { CG:34.072 } atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } :: atom: 755 67M-HG3 G 3.448 ambi=2 { CG:34.072 } atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } ::sumAvg: 2.82 atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } atom: 754 67M-HG2 G 2.676 ambi=2 { CG:34.072 } :: atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } atom: 755 67M-HG3 G 3.448 ambi=2 { CG:34.072 } ::sumAvg: 2.82 atom: 754 67M-HG2 G 2.676 ambi=2 { CG:34.072 } atom: 873 78V-H N 7.028 ambi=1 { N:123.767 } :: atom: 755 67M-HG3 G 3.448 ambi=2 { CG:34.072 } atom: 873 78V-H N 7.028 ambi=1 { N:123.767 } ::sumAvg: 3.81 atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } ::sumAvg: 4.945 atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } :: atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } ::sumAvg: 4.925 atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } atom: 761 68G-H N 7.169 ambi=1 { N:103.435 } ::sumAvg: 4.31 atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } :: atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } ::sumAvg: 4.335 atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } :: atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } ::sumAvg: 4.335 atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } :: atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } :: atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } :: atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } ::sumAvg: 4.645 atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } :: atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } :: atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } :: atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } ::sumAvg: 4.645 atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } atom: 771 69W-HD1 D1 7.339 ambi=1 { CD1:128.741 } :: atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } atom: 771 69W-HD1 D1 7.339 ambi=1 { CD1:128.741 } ::sumAvg: 4.22 atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } :: atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } :: atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } :: atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } ::sumAvg: 4.905 atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } :: atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } :: atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } :: atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } ::sumAvg: 4.905 atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } atom: 767 69W-H N 7.743 ambi=1 { N:117.31 } ::sumAvg: 4.82 atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } atom: 771 69W-HD1 D1 7.339 ambi=1 { CD1:128.741 } ::sumAvg: 4.31 atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } atom: 789 70K-HB2 B 2.068 ambi=2 { CB:34.817 } :: atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } atom: 790 70K-HB3 B 1.546 ambi=2 { CB:34.817 } ::sumAvg: 4.605 atom: 789 70K-HB2 B 2.068 ambi=2 { CB:34.817 } atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } :: atom: 790 70K-HB3 B 1.546 ambi=2 { CB:34.817 } atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } ::sumAvg: 4.605 atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } ::sumAvg: 3.925 atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } ::sumAvg: 3.925 atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } atom: 772 69W-HE1 E1 10.118 ambi=1 { NE1:129.804 } :: atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } atom: 772 69W-HE1 E1 10.118 ambi=1 { NE1:129.804 } ::sumAvg: 4.785 atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } :: atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } ::sumAvg: 4.53 atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } :: atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } ::sumAvg: 4.53 atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } :: atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } :: atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } :: atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } ::sumAvg: 4.585 atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } :: atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } atom: 769 69W-HB2 B 3.111 ambi=2 { CB:31.845 } :: atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } :: atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } atom: 770 69W-HB3 B 2.963 ambi=2 { CB:31.845 } ::sumAvg: 4.585 atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } ::sumAvg: 2.74 atom: 793 70K-HD2 D 2.074 ambi=2 { CD:27.637 } atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } :: atom: 794 70K-HD3 D 1.457 ambi=2 { CD:27.637 } atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } ::sumAvg: 4.16 atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } :: atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } ::sumAvg: 4.725 atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } :: atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } ::sumAvg: 4.74 atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } ::sumAvg: 4.235 atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } :: atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } ::sumAvg: 3.2 atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } :: atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } ::sumAvg: 3.2 atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } :: atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } ::sumAvg: 4.485 atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } :: atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } ::sumAvg: 4.485 atom: 816 72K-QG G 1.493 ambi=2 { CG:24.453 } atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } ::sumAvg: 4.77 atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } atom: 844 75D-HB2 B 3.208 ambi=2 { CB:43.117 } :: atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } atom: 845 75D-HB3 B 2.479 ambi=2 { CB:43.117 } ::sumAvg: 4.005 atom: 844 75D-HB2 B 3.208 ambi=2 { CB:43.117 } atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } :: atom: 845 75D-HB3 B 2.479 ambi=2 { CB:43.117 } atom: 788 70K-HA A 4.917 ambi=1 { CA:53.507 } ::sumAvg: 4.005 atom: 789 70K-HB2 B 2.068 ambi=2 { CB:34.817 } atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } :: atom: 789 70K-HB2 B 2.068 ambi=2 { CB:34.817 } atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } :: atom: 790 70K-HB3 B 1.546 ambi=2 { CB:34.817 } atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } :: atom: 790 70K-HB3 B 1.546 ambi=2 { CB:34.817 } atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } ::sumAvg: 4.055 atom: 789 70K-HB2 B 2.068 ambi=2 { CB:34.817 } atom: 805 71S-HA A 4.597 ambi=1 { CA:59.886 } :: atom: 790 70K-HB3 B 1.546 ambi=2 { CB:34.817 } atom: 805 71S-HA A 4.597 ambi=1 { CA:59.886 } ::sumAvg: 4.43 atom: 805 71S-HA A 4.597 ambi=1 { CA:59.886 } atom: 789 70K-HB2 B 2.068 ambi=2 { CB:34.817 } :: atom: 805 71S-HA A 4.597 ambi=1 { CA:59.886 } atom: 790 70K-HB3 B 1.546 ambi=2 { CB:34.817 } ::sumAvg: 4.43 atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } atom: 789 70K-HB2 B 2.068 ambi=2 { CB:34.817 } :: atom: 863 77I-HG13 G1 0.897 ambi=2 { CG1:28.723 } atom: 789 70K-HB2 B 2.068 ambi=2 { CB:34.817 } :: atom: 863 77I-HG13 G1 0.897 ambi=2 { CG1:28.723 } atom: 790 70K-HB3 B 1.546 ambi=2 { CB:34.817 } ::sumAvg: 4.28 atom: 999 88I-HB B 2.054 ambi=1 { CB:36.074 } atom: 790 70K-HB3 B 1.546 ambi=2 { CB:34.817 } ::sumAvg: 4.655 atom: 789 70K-HB2 B 2.068 ambi=2 { CB:34.817 } atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } :: atom: 790 70K-HB3 B 1.546 ambi=2 { CB:34.817 } atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } ::sumAvg: 4.475 atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } atom: 804 71S-H N 8.382 ambi=1 { N:109.615 } ::sumAvg: 4.525 atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } atom: 843 75D-HA A 4.72 ambi=1 { CA:55.306 } ::sumAvg: 4.785 atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } atom: 850 76T-H N 7.956 ambi=1 { N:108.385 } ::sumAvg: 4.19 atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } ::sumAvg: 4.925 atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } ::sumAvg: 4.835 atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } atom: 863 77I-HG13 G1 0.897 ambi=2 { CG1:28.723 } ::sumAvg: 3.155 atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } ::sumAvg: 4.72 atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } ::sumAvg: 2.06 atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } atom: 1001 88I-HG13 G1 0.732 ambi=2 { CG1:28.239 } ::sumAvg: 4.92 atom: 1001 88I-HG13 G1 0.732 ambi=2 { CG1:28.239 } atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } ::sumAvg: 4.92 atom: 791 70K-QG G 1.377 ambi=2 { CG:23.991 } atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } ::sumAvg: 3.565 atom: 793 70K-HD2 D 2.074 ambi=2 { CD:27.637 } atom: 812 72K-H N 8.772 ambi=1 { N:124.576 } :: atom: 794 70K-HD3 D 1.457 ambi=2 { CD:27.637 } atom: 812 72K-H N 8.772 ambi=1 { N:124.576 } ::sumAvg: 4.69 atom: 793 70K-HD2 D 2.074 ambi=2 { CD:27.637 } atom: 843 75D-HA A 4.72 ambi=1 { CA:55.306 } :: atom: 794 70K-HD3 D 1.457 ambi=2 { CD:27.637 } atom: 843 75D-HA A 4.72 ambi=1 { CA:55.306 } ::sumAvg: 3.85 atom: 843 75D-HA A 4.72 ambi=1 { CA:55.306 } atom: 793 70K-HD2 D 2.074 ambi=2 { CD:27.637 } :: atom: 843 75D-HA A 4.72 ambi=1 { CA:55.306 } atom: 794 70K-HD3 D 1.457 ambi=2 { CD:27.637 } ::sumAvg: 3.85 atom: 793 70K-HD2 D 2.074 ambi=2 { CD:27.637 } atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } :: atom: 794 70K-HD3 D 1.457 ambi=2 { CD:27.637 } atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } ::sumAvg: 3.67 atom: 793 70K-HD2 D 2.074 ambi=2 { CD:27.637 } atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } :: atom: 794 70K-HD3 D 1.457 ambi=2 { CD:27.637 } atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } ::sumAvg: 4.01 atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } atom: 843 75D-HA A 4.72 ambi=1 { CA:55.306 } :: atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } atom: 843 75D-HA A 4.72 ambi=1 { CA:55.306 } ::sumAvg: 4.9 atom: 843 75D-HA A 4.72 ambi=1 { CA:55.306 } atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } :: atom: 843 75D-HA A 4.72 ambi=1 { CA:55.306 } atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } ::sumAvg: 4.9 atom: 845 75D-HB3 B 2.479 ambi=2 { CB:43.117 } atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } ::sumAvg: 3.695 atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } atom: 850 76T-H N 7.956 ambi=1 { N:108.385 } :: atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } atom: 850 76T-H N 7.956 ambi=1 { N:108.385 } ::sumAvg: 4.625 atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } :: atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } ::sumAvg: 3.075 atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } atom: 795 70K-HE2 E 3.124 ambi=2 { CE:42.548 } :: atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } atom: 796 70K-HE3 E 2.813 ambi=2 { CE:42.548 } ::sumAvg: 3.075 atom: 818 72K-QD D 1.711 ambi=2 { CD:29.046 } atom: 804 71S-H N 8.382 ambi=1 { N:109.615 } ::sumAvg: 3.89 atom: 820 72K-QE E 3.048 ambi=2 { CE:42.353 } atom: 804 71S-H N 8.382 ambi=1 { N:109.615 } ::sumAvg: 4.925 atom: 844 75D-HB2 B 3.208 ambi=2 { CB:43.117 } atom: 804 71S-H N 8.382 ambi=1 { N:109.615 } :: atom: 845 75D-HB3 B 2.479 ambi=2 { CB:43.117 } atom: 804 71S-H N 8.382 ambi=1 { N:109.615 } ::sumAvg: 3.965 atom: 805 71S-HA A 4.597 ambi=1 { CA:59.886 } atom: 816 72K-QG G 1.493 ambi=2 { CG:24.453 } ::sumAvg: 4.96 atom: 816 72K-QG G 1.493 ambi=2 { CG:24.453 } atom: 805 71S-HA A 4.597 ambi=1 { CA:59.886 } ::sumAvg: 4.96 atom: 1000 88I-HG12 G1 1.247 ambi=2 { CG1:28.239 } atom: 805 71S-HA A 4.597 ambi=1 { CA:59.886 } :: atom: 1001 88I-HG13 G1 0.732 ambi=2 { CG1:28.239 } atom: 805 71S-HA A 4.597 ambi=1 { CA:59.886 } ::sumAvg: 4.945 atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } atom: 805 71S-HA A 4.597 ambi=1 { CA:59.886 } ::sumAvg: 3.335 atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } atom: 813 72K-HA A 4.71 ambi=1 { CA:54.446 } :: atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } atom: 813 72K-HA A 4.71 ambi=1 { CA:54.446 } ::sumAvg: 4.68 atom: 813 72K-HA A 4.71 ambi=1 { CA:54.446 } atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } :: atom: 813 72K-HA A 4.71 ambi=1 { CA:54.446 } atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } ::sumAvg: 4.68 atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } atom: 816 72K-QG G 1.493 ambi=2 { CG:24.453 } :: atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } atom: 816 72K-QG G 1.493 ambi=2 { CG:24.453 } ::sumAvg: 4.83 atom: 816 72K-QG G 1.493 ambi=2 { CG:24.453 } atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } :: atom: 816 72K-QG G 1.493 ambi=2 { CG:24.453 } atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } ::sumAvg: 4.83 atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } :: atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } ::sumAvg: 4.5 atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } atom: 806 71S-HB2 B 4.088 ambi=2 { CB:66.047 } :: atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } atom: 807 71S-HB3 B 3.822 ambi=2 { CB:66.047 } ::sumAvg: 4.5 atom: 820 72K-QE E 3.048 ambi=2 { CE:42.353 } atom: 812 72K-H N 8.772 ambi=1 { N:124.576 } ::sumAvg: 4.61 atom: 813 72K-HA A 4.71 ambi=1 { CA:54.446 } atom: 820 72K-QE E 3.048 ambi=2 { CE:42.353 } ::sumAvg: 3.665 atom: 820 72K-QE E 3.048 ambi=2 { CE:42.353 } atom: 813 72K-HA A 4.71 ambi=1 { CA:54.446 } ::sumAvg: 3.665 atom: 813 72K-HA A 4.71 ambi=1 { CA:54.446 } atom: 830 73A-HA A 3.685 ambi=1 { CA:53.946 } ::sumAvg: 4.34 atom: 813 72K-HA A 4.71 ambi=1 { CA:54.446 } atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } ::sumAvg: 4.725 atom: 814 72K-QB B 1.784 ambi=2 { CB:34.865 } atom: 820 72K-QE E 3.048 ambi=2 { CE:42.353 } ::sumAvg: 2.9 atom: 814 72K-QB B 1.784 ambi=2 { CB:34.865 } atom: 830 73A-HA A 3.685 ambi=1 { CA:53.946 } ::sumAvg: 4.51 atom: 830 73A-HA A 3.685 ambi=1 { CA:53.946 } atom: 814 72K-QB B 1.784 ambi=2 { CB:34.865 } ::sumAvg: 4.51 atom: 831 73A-HB B 1.371 ambi=1 { CB:17.746 } atom: 814 72K-QB B 1.784 ambi=2 { CB:34.865 } ::sumAvg: 4.09 atom: 837 74G-HA2 A 4.52 ambi=2 { CA:44.922 } atom: 814 72K-QB B 1.784 ambi=2 { CB:34.865 } :: atom: 838 74G-HA3 A 3.809 ambi=2 { CA:44.922 } atom: 814 72K-QB B 1.784 ambi=2 { CB:34.865 } ::sumAvg: 4.875 atom: 814 72K-QB B 1.784 ambi=2 { CB:34.865 } atom: 844 75D-HB2 B 3.208 ambi=2 { CB:43.117 } :: atom: 814 72K-QB B 1.784 ambi=2 { CB:34.865 } atom: 845 75D-HB3 B 2.479 ambi=2 { CB:43.117 } ::sumAvg: 4.365 atom: 844 75D-HB2 B 3.208 ambi=2 { CB:43.117 } atom: 814 72K-QB B 1.784 ambi=2 { CB:34.865 } :: atom: 845 75D-HB3 B 2.479 ambi=2 { CB:43.117 } atom: 814 72K-QB B 1.784 ambi=2 { CB:34.865 } ::sumAvg: 4.365 atom: 814 72K-QB B 1.784 ambi=2 { CB:34.865 } atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } ::sumAvg: 4.485 atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } atom: 814 72K-QB B 1.784 ambi=2 { CB:34.865 } ::sumAvg: 4.485 atom: 814 72K-QB B 1.784 ambi=2 { CB:34.865 } atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } ::sumAvg: 4.675 atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } atom: 814 72K-QB B 1.784 ambi=2 { CB:34.865 } ::sumAvg: 4.675 atom: 818 72K-QD D 1.711 ambi=2 { CD:29.046 } atom: 842 75D-H N 8.56 ambi=1 { N:122.163 } ::sumAvg: 4.645 atom: 820 72K-QE E 3.048 ambi=2 { CE:42.353 } atom: 829 73A-H N 8.847 ambi=1 { N:123.049 } ::sumAvg: 4.65 atom: 830 73A-HA A 3.685 ambi=1 { CA:53.946 } atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } ::sumAvg: 4.88 atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } atom: 830 73A-HA A 3.685 ambi=1 { CA:53.946 } ::sumAvg: 4.88 atom: 830 73A-HA A 3.685 ambi=1 { CA:53.946 } atom: 1011 89K-H N 9.162 ambi=1 { N:128.65 } ::sumAvg: 4.45 atom: 830 73A-HA A 3.685 ambi=1 { CA:53.946 } atom: 1029 90S-HA A 5.08 ambi=1 { CA:58.039 } ::sumAvg: 4.935 atom: 1029 90S-HA A 5.08 ambi=1 { CA:58.039 } atom: 830 73A-HA A 3.685 ambi=1 { CA:53.946 } ::sumAvg: 4.935 atom: 831 73A-HB B 1.371 ambi=1 { CB:17.746 } atom: 1011 89K-H N 9.162 ambi=1 { N:128.65 } ::sumAvg: 4.98 atom: 843 75D-HA A 4.72 ambi=1 { CA:55.306 } atom: 836 74G-H N 8.773 ambi=1 { N:113.307 } ::sumAvg: 4.665 atom: 853 76T-HG2 G2 1.253 ambi=1 { CG2:22.725 } atom: 836 74G-H N 8.773 ambi=1 { N:113.307 } ::sumAvg: 4.985 atom: 838 74G-HA3 A 3.809 ambi=2 { CA:44.922 } atom: 843 75D-HA A 4.72 ambi=1 { CA:55.306 } ::sumAvg: 4.485 atom: 843 75D-HA A 4.72 ambi=1 { CA:55.306 } atom: 838 74G-HA3 A 3.809 ambi=2 { CA:44.922 } ::sumAvg: 4.485 atom: 853 76T-HG2 G2 1.253 ambi=1 { CG2:22.725 } atom: 837 74G-HA2 A 4.52 ambi=2 { CA:44.922 } :: atom: 853 76T-HG2 G2 1.253 ambi=1 { CG2:22.725 } atom: 838 74G-HA3 A 3.809 ambi=2 { CA:44.922 } ::sumAvg: 3.945 atom: 837 74G-HA2 A 4.52 ambi=2 { CA:44.922 } atom: 999 88I-HB B 2.054 ambi=1 { CB:36.074 } :: atom: 838 74G-HA3 A 3.809 ambi=2 { CA:44.922 } atom: 999 88I-HB B 2.054 ambi=1 { CB:36.074 } ::sumAvg: 4.955 atom: 999 88I-HB B 2.054 ambi=1 { CB:36.074 } atom: 837 74G-HA2 A 4.52 ambi=2 { CA:44.922 } :: atom: 999 88I-HB B 2.054 ambi=1 { CB:36.074 } atom: 838 74G-HA3 A 3.809 ambi=2 { CA:44.922 } ::sumAvg: 4.955 atom: 837 74G-HA2 A 4.52 ambi=2 { CA:44.922 } atom: 1012 89K-HA A 4.933 ambi=1 { CA:54.502 } :: atom: 838 74G-HA3 A 3.809 ambi=2 { CA:44.922 } atom: 1012 89K-HA A 4.933 ambi=1 { CA:54.502 } ::sumAvg: 4.83 atom: 853 76T-HG2 G2 1.253 ambi=1 { CG2:22.725 } atom: 842 75D-H N 8.56 ambi=1 { N:122.163 } ::sumAvg: 4.49 atom: 1000 88I-HG12 G1 1.247 ambi=2 { CG1:28.239 } atom: 842 75D-H N 8.56 ambi=1 { N:122.163 } :: atom: 1001 88I-HG13 G1 0.732 ambi=2 { CG1:28.239 } atom: 842 75D-H N 8.56 ambi=1 { N:122.163 } ::sumAvg: 4.965 atom: 843 75D-HA A 4.72 ambi=1 { CA:55.306 } atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } ::sumAvg: 4.45 atom: 843 75D-HA A 4.72 ambi=1 { CA:55.306 } atom: 999 88I-HB B 2.054 ambi=1 { CB:36.074 } ::sumAvg: 4.885 atom: 843 75D-HA A 4.72 ambi=1 { CA:55.306 } atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } ::sumAvg: 4.815 atom: 844 75D-HB2 B 3.208 ambi=2 { CB:43.117 } atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } :: atom: 845 75D-HB3 B 2.479 ambi=2 { CB:43.117 } atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } ::sumAvg: 4.475 atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } atom: 844 75D-HB2 B 3.208 ambi=2 { CB:43.117 } :: atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } atom: 845 75D-HB3 B 2.479 ambi=2 { CB:43.117 } ::sumAvg: 4.475 atom: 844 75D-HB2 B 3.208 ambi=2 { CB:43.117 } atom: 853 76T-HG2 G2 1.253 ambi=1 { CG2:22.725 } :: atom: 845 75D-HB3 B 2.479 ambi=2 { CB:43.117 } atom: 853 76T-HG2 G2 1.253 ambi=1 { CG2:22.725 } ::sumAvg: 4.995 atom: 853 76T-HG2 G2 1.253 ambi=1 { CG2:22.725 } atom: 844 75D-HB2 B 3.208 ambi=2 { CB:43.117 } :: atom: 853 76T-HG2 G2 1.253 ambi=1 { CG2:22.725 } atom: 845 75D-HB3 B 2.479 ambi=2 { CB:43.117 } ::sumAvg: 4.995 atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } atom: 844 75D-HB2 B 3.208 ambi=2 { CB:43.117 } :: atom: 863 77I-HG13 G1 0.897 ambi=2 { CG1:28.723 } atom: 844 75D-HB2 B 3.208 ambi=2 { CB:43.117 } :: atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } atom: 845 75D-HB3 B 2.479 ambi=2 { CB:43.117 } :: atom: 863 77I-HG13 G1 0.897 ambi=2 { CG1:28.723 } atom: 845 75D-HB3 B 2.479 ambi=2 { CB:43.117 } ::sumAvg: 4.725 atom: 844 75D-HB2 B 3.208 ambi=2 { CB:43.117 } atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } :: atom: 845 75D-HB3 B 2.479 ambi=2 { CB:43.117 } atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } ::sumAvg: 4.215 atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } atom: 844 75D-HB2 B 3.208 ambi=2 { CB:43.117 } :: atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } atom: 845 75D-HB3 B 2.479 ambi=2 { CB:43.117 } ::sumAvg: 4.215 atom: 844 75D-HB2 B 3.208 ambi=2 { CB:43.117 } atom: 997 88I-H N 8.406 ambi=1 { N:125.218 } :: atom: 845 75D-HB3 B 2.479 ambi=2 { CB:43.117 } atom: 997 88I-H N 8.406 ambi=1 { N:125.218 } ::sumAvg: 4.65 atom: 844 75D-HB2 B 3.208 ambi=2 { CB:43.117 } atom: 1000 88I-HG12 G1 1.247 ambi=2 { CG1:28.239 } :: atom: 844 75D-HB2 B 3.208 ambi=2 { CB:43.117 } atom: 1001 88I-HG13 G1 0.732 ambi=2 { CG1:28.239 } :: atom: 845 75D-HB3 B 2.479 ambi=2 { CB:43.117 } atom: 1000 88I-HG12 G1 1.247 ambi=2 { CG1:28.239 } :: atom: 845 75D-HB3 B 2.479 ambi=2 { CB:43.117 } atom: 1001 88I-HG13 G1 0.732 ambi=2 { CG1:28.239 } ::sumAvg: 4.025 atom: 844 75D-HB2 B 3.208 ambi=2 { CB:43.117 } atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } :: atom: 845 75D-HB3 B 2.479 ambi=2 { CB:43.117 } atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } ::sumAvg: 3.71 atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } atom: 844 75D-HB2 B 3.208 ambi=2 { CB:43.117 } :: atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } atom: 845 75D-HB3 B 2.479 ambi=2 { CB:43.117 } ::sumAvg: 3.71 atom: 852 76T-HB B 3.993 ambi=1 { CB:73.625 } atom: 850 76T-H N 7.956 ambi=1 { N:108.385 } ::sumAvg: 3.835 atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } atom: 850 76T-H N 7.956 ambi=1 { N:108.385 } ::sumAvg: 4.94 atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } atom: 850 76T-H N 7.956 ambi=1 { N:108.385 } :: atom: 863 77I-HG13 G1 0.897 ambi=2 { CG1:28.723 } atom: 850 76T-H N 7.956 ambi=1 { N:108.385 } ::sumAvg: 4.825 atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } atom: 850 76T-H N 7.956 ambi=1 { N:108.385 } ::sumAvg: 4.26 atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } ::sumAvg: 4.475 atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } ::sumAvg: 4.475 atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } :: atom: 863 77I-HG13 G1 0.897 ambi=2 { CG1:28.723 } atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } ::sumAvg: 3.58 atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } atom: 876 78V-QG G 0.949 ambi=2 { QCG:21.183 } ::sumAvg: 4.89 atom: 876 78V-QG G 0.949 ambi=2 { QCG:21.183 } atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } ::sumAvg: 4.89 atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } atom: 963 85F-QE E 7.223 ambi=3 { CE1:131.237 } ::sumAvg: 4.98 atom: 977 86V-HB B 1.834 ambi=1 { CB:33.888 } atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } ::sumAvg: 4.665 atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } atom: 978 86V-HG1 G1 0.617 ambi=2 { CG1:20.486 } :: atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } atom: 979 86V-HG2 G2 0.679 ambi=2 { CG2:20.698 } ::sumAvg: 4.33 atom: 978 86V-HG1 G1 0.617 ambi=2 { CG1:20.486 } atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } :: atom: 979 86V-HG2 G2 0.679 ambi=2 { CG2:20.698 } atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } ::sumAvg: 4.33 atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } atom: 986 87E-H N 8.687 ambi=1 { N:125.169 } ::sumAvg: 4.93 atom: 988 87E-HB2 B 1.928 ambi=2 { CB:33.516 } atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } :: atom: 989 87E-HB3 B 1.85 ambi=2 { CB:33.516 } atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } ::sumAvg: 4.445 atom: 999 88I-HB B 2.054 ambi=1 { CB:36.074 } atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } ::sumAvg: 4.87 atom: 1000 88I-HG12 G1 1.247 ambi=2 { CG1:28.239 } atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } :: atom: 1001 88I-HG13 G1 0.732 ambi=2 { CG1:28.239 } atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } ::sumAvg: 4.06 atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } ::sumAvg: 4.735 atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } atom: 852 76T-HB B 3.993 ambi=1 { CB:73.625 } ::sumAvg: 3.795 atom: 852 76T-HB B 3.993 ambi=1 { CB:73.625 } atom: 988 87E-HB2 B 1.928 ambi=2 { CB:33.516 } :: atom: 852 76T-HB B 3.993 ambi=1 { CB:73.625 } atom: 989 87E-HB3 B 1.85 ambi=2 { CB:33.516 } ::sumAvg: 4.25 atom: 988 87E-HB2 B 1.928 ambi=2 { CB:33.516 } atom: 852 76T-HB B 3.993 ambi=1 { CB:73.625 } :: atom: 989 87E-HB3 B 1.85 ambi=2 { CB:33.516 } atom: 852 76T-HB B 3.993 ambi=1 { CB:73.625 } ::sumAvg: 4.25 atom: 853 76T-HG2 G2 1.253 ambi=1 { CG2:22.725 } atom: 986 87E-H N 8.687 ambi=1 { N:125.169 } ::sumAvg: 4.7 atom: 853 76T-HG2 G2 1.253 ambi=1 { CG2:22.725 } atom: 1001 88I-HG13 G1 0.732 ambi=2 { CG1:28.239 } ::sumAvg: 4.905 atom: 874 78V-HA A 4.574 ambi=1 { CA:60.655 } atom: 859 77I-H N 8.483 ambi=1 { N:116.638 } ::sumAvg: 4.81 atom: 876 78V-QG G 0.949 ambi=2 { QCG:21.183 } atom: 859 77I-H N 8.483 ambi=1 { N:116.638 } ::sumAvg: 3.86 atom: 958 85F-HA A 5.184 ambi=1 { CA:56.215 } atom: 859 77I-H N 8.483 ambi=1 { N:116.638 } ::sumAvg: 4.715 atom: 976 86V-HA A 4.883 ambi=1 { CA:60.132 } atom: 859 77I-H N 8.483 ambi=1 { N:116.638 } ::sumAvg: 4.555 atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } atom: 859 77I-H N 8.483 ambi=1 { N:116.638 } ::sumAvg: 3.645 atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } atom: 875 78V-HB B 1.939 ambi=1 { CB:35.74 } ::sumAvg: 4.7 atom: 875 78V-HB B 1.939 ambi=1 { CB:35.74 } atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } ::sumAvg: 4.7 atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } atom: 975 86V-H N 8.89 ambi=1 { N:125.549 } ::sumAvg: 4.66 atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } atom: 977 86V-HB B 1.834 ambi=1 { CB:33.888 } ::sumAvg: 4.65 atom: 977 86V-HB B 1.834 ambi=1 { CB:33.888 } atom: 860 77I-HA A 4.38 ambi=1 { CA:61.856 } ::sumAvg: 4.65 atom: 861 77I-HB B 1.137 ambi=1 { CB:42.237 } atom: 874 78V-HA A 4.574 ambi=1 { CA:60.655 } ::sumAvg: 4.84 atom: 861 77I-HB B 1.137 ambi=1 { CB:42.237 } atom: 958 85F-HA A 5.184 ambi=1 { CA:56.215 } ::sumAvg: 4.67 atom: 958 85F-HA A 5.184 ambi=1 { CA:56.215 } atom: 861 77I-HB B 1.137 ambi=1 { CB:42.237 } ::sumAvg: 4.67 atom: 861 77I-HB B 1.137 ambi=1 { CB:42.237 } atom: 976 86V-HA A 4.883 ambi=1 { CA:60.132 } ::sumAvg: 4.63 atom: 976 86V-HA A 4.883 ambi=1 { CA:60.132 } atom: 861 77I-HB B 1.137 ambi=1 { CB:42.237 } ::sumAvg: 4.63 atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } atom: 975 86V-H N 8.89 ambi=1 { N:125.549 } :: atom: 863 77I-HG13 G1 0.897 ambi=2 { CG1:28.723 } atom: 975 86V-H N 8.89 ambi=1 { N:125.549 } ::sumAvg: 4.875 atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } atom: 977 86V-HB B 1.834 ambi=1 { CB:33.888 } :: atom: 863 77I-HG13 G1 0.897 ambi=2 { CG1:28.723 } atom: 977 86V-HB B 1.834 ambi=1 { CB:33.888 } ::sumAvg: 2.915 atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } :: atom: 863 77I-HG13 G1 0.897 ambi=2 { CG1:28.723 } atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } ::sumAvg: 4.96 atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } :: atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } atom: 863 77I-HG13 G1 0.897 ambi=2 { CG1:28.723 } ::sumAvg: 4.96 atom: 1001 88I-HG13 G1 0.732 ambi=2 { CG1:28.239 } atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } ::sumAvg: 4.52 atom: 862 77I-HG12 G1 1.35 ambi=2 { CG1:28.723 } atom: 1003 88I-HD1 D1 0.583 ambi=1 { CD1:13.376 } ::sumAvg: 4.27 atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } atom: 875 78V-HB B 1.939 ambi=1 { CB:35.74 } ::sumAvg: 4.795 atom: 875 78V-HB B 1.939 ambi=1 { CB:35.74 } atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } ::sumAvg: 4.795 atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } atom: 884 79C-H N 8.414 ambi=1 { N:124.524 } ::sumAvg: 3.975 atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } atom: 885 79C-HA A 4.925 ambi=1 { CA:55.966 } ::sumAvg: 4.855 atom: 885 79C-HA A 4.925 ambi=1 { CA:55.966 } atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } ::sumAvg: 4.855 atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } ::sumAvg: 4.16 atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } atom: 948 84V-HB B 1.536 ambi=1 { CB:35.191 } ::sumAvg: 4.99 atom: 948 84V-HB B 1.536 ambi=1 { CB:35.191 } atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } ::sumAvg: 4.99 atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } atom: 958 85F-HA A 5.184 ambi=1 { CA:56.215 } ::sumAvg: 4.43 atom: 958 85F-HA A 5.184 ambi=1 { CA:56.215 } atom: 864 77I-HG2 G2 0.881 ambi=1 { CG2:18.986 } ::sumAvg: 4.43 atom: 865 77I-HD1 D1 0.773 ambi=1 { CD1:14.664 } atom: 873 78V-H N 7.028 ambi=1 { N:123.767 } ::sumAvg: 3.83 atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } atom: 874 78V-HA A 4.574 ambi=1 { CA:60.655 } ::sumAvg: 4.47 atom: 874 78V-HA A 4.574 ambi=1 { CA:60.655 } atom: 892 80L-H N 9.61 ambi=1 { N:129.147 } ::sumAvg: 4.83 atom: 874 78V-HA A 4.574 ambi=1 { CA:60.655 } atom: 959 85F-HB2 B 2.967 ambi=2 { CB:43.499 } :: atom: 874 78V-HA A 4.574 ambi=1 { CA:60.655 } atom: 960 85F-HB3 B 2.915 ambi=2 { CB:43.499 } ::sumAvg: 4.14 atom: 959 85F-HB2 B 2.967 ambi=2 { CB:43.499 } atom: 874 78V-HA A 4.574 ambi=1 { CA:60.655 } :: atom: 960 85F-HB3 B 2.915 ambi=2 { CB:43.499 } atom: 874 78V-HA A 4.574 ambi=1 { CA:60.655 } ::sumAvg: 4.14 atom: 875 78V-HB B 1.939 ambi=1 { CB:35.74 } atom: 885 79C-HA A 4.925 ambi=1 { CA:55.966 } ::sumAvg: 4.73 atom: 875 78V-HB B 1.939 ambi=1 { CB:35.74 } atom: 892 80L-H N 9.61 ambi=1 { N:129.147 } ::sumAvg: 4.695 atom: 876 78V-QG G 0.949 ambi=2 { QCG:21.183 } atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } ::sumAvg: 4.44 atom: 876 78V-QG G 0.949 ambi=2 { QCG:21.183 } atom: 893 80L-HA A 4.328 ambi=1 { CA:59.308 } ::sumAvg: 3.57 atom: 876 78V-QG G 0.949 ambi=2 { QCG:21.183 } atom: 959 85F-HB2 B 2.967 ambi=2 { CB:43.499 } :: atom: 876 78V-QG G 0.949 ambi=2 { QCG:21.183 } atom: 960 85F-HB3 B 2.915 ambi=2 { CB:43.499 } ::sumAvg: 3.72 atom: 876 78V-QG G 0.949 ambi=2 { QCG:21.183 } atom: 975 86V-H N 8.89 ambi=1 { N:125.549 } ::sumAvg: 3.91 atom: 959 85F-HB2 B 2.967 ambi=2 { CB:43.499 } atom: 884 79C-H N 8.414 ambi=1 { N:124.524 } :: atom: 960 85F-HB3 B 2.915 ambi=2 { CB:43.499 } atom: 884 79C-H N 8.414 ambi=1 { N:124.524 } ::sumAvg: 4.53 atom: 885 79C-HA A 4.925 ambi=1 { CA:55.966 } atom: 893 80L-HA A 4.328 ambi=1 { CA:59.308 } ::sumAvg: 4.555 atom: 893 80L-HA A 4.328 ambi=1 { CA:59.308 } atom: 885 79C-HA A 4.925 ambi=1 { CA:55.966 } ::sumAvg: 4.555 atom: 894 80L-HB2 B 1.8 ambi=2 { CB:39.259 } atom: 885 79C-HA A 4.925 ambi=1 { CA:55.966 } :: atom: 895 80L-HB3 B 1.702 ambi=2 { CB:39.259 } atom: 885 79C-HA A 4.925 ambi=1 { CA:55.966 } ::sumAvg: 4.57 atom: 908 81P-HG2 G 2.102 ambi=2 { CG:28.428 } atom: 885 79C-HA A 4.925 ambi=1 { CA:55.966 } :: atom: 909 81P-HG3 G 2.048 ambi=2 { CG:28.428 } atom: 885 79C-HA A 4.925 ambi=1 { CA:55.966 } ::sumAvg: 4.95 atom: 885 79C-HA A 4.925 ambi=1 { CA:55.966 } atom: 917 82H-H N 6.659 ambi=1 { N:111.473 } ::sumAvg: 4.39 atom: 885 79C-HA A 4.925 ambi=1 { CA:55.966 } atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } :: atom: 885 79C-HA A 4.925 ambi=1 { CA:55.966 } atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } ::sumAvg: 4.85 atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } atom: 885 79C-HA A 4.925 ambi=1 { CA:55.966 } :: atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } atom: 885 79C-HA A 4.925 ambi=1 { CA:55.966 } ::sumAvg: 4.85 atom: 885 79C-HA A 4.925 ambi=1 { CA:55.966 } atom: 946 84V-H N 7.72 ambi=1 { N:118.592 } ::sumAvg: 4.98 atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } atom: 893 80L-HA A 4.328 ambi=1 { CA:59.308 } ::sumAvg: 4.705 atom: 893 80L-HA A 4.328 ambi=1 { CA:59.308 } atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } ::sumAvg: 4.705 atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } atom: 910 81P-QD D 3.957 ambi=2 { CD:51.601 } ::sumAvg: 3.36 atom: 910 81P-QD D 3.957 ambi=2 { CD:51.601 } atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } ::sumAvg: 3.36 atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } atom: 917 82H-H N 6.659 ambi=1 { N:111.473 } ::sumAvg: 3.175 atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } ::sumAvg: 4.9 atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } ::sumAvg: 4.9 atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } ::sumAvg: 2.445 atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } ::sumAvg: 2.445 atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } ::sumAvg: 4.67 atom: 947 84V-HA A 4.952 ambi=1 { CA:61.568 } atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } ::sumAvg: 4.615 atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } atom: 958 85F-HA A 5.184 ambi=1 { CA:56.215 } ::sumAvg: 4.87 atom: 958 85F-HA A 5.184 ambi=1 { CA:56.215 } atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } ::sumAvg: 4.87 atom: 893 80L-HA A 4.328 ambi=1 { CA:59.308 } atom: 933 83K-HG2 G 1.495 ambi=2 { CG:25.117 } :: atom: 893 80L-HA A 4.328 ambi=1 { CA:59.308 } atom: 934 83K-HG3 G 1.44 ambi=2 { CG:25.117 } ::sumAvg: 4.915 atom: 893 80L-HA A 4.328 ambi=1 { CA:59.308 } atom: 946 84V-H N 7.72 ambi=1 { N:118.592 } ::sumAvg: 4.15 atom: 908 81P-HG2 G 2.102 ambi=2 { CG:28.428 } atom: 895 80L-HB3 B 1.702 ambi=2 { CB:39.259 } ::sumAvg: 3.855 atom: 894 80L-HB2 B 1.8 ambi=2 { CB:39.259 } atom: 917 82H-H N 6.659 ambi=1 { N:111.473 } :: atom: 895 80L-HB3 B 1.702 ambi=2 { CB:39.259 } atom: 917 82H-H N 6.659 ambi=1 { N:111.473 } ::sumAvg: 4.89 atom: 897 80L-HD1 D1 0.972 ambi=2 { CD1:24.648 } atom: 905 81P-HA A 4.465 ambi=1 { CA:66.463 } :: atom: 898 80L-HD2 D2 0.912 ambi=2 { CD2:23.876 } atom: 905 81P-HA A 4.465 ambi=1 { CA:66.463 } ::sumAvg: 4.475 atom: 905 81P-HA A 4.465 ambi=1 { CA:66.463 } atom: 897 80L-HD1 D1 0.972 ambi=2 { CD1:24.648 } :: atom: 905 81P-HA A 4.465 ambi=1 { CA:66.463 } atom: 898 80L-HD2 D2 0.912 ambi=2 { CD2:23.876 } ::sumAvg: 4.475 atom: 897 80L-HD1 D1 0.972 ambi=2 { CD1:24.648 } atom: 908 81P-HG2 G 2.102 ambi=2 { CG:28.428 } :: atom: 897 80L-HD1 D1 0.972 ambi=2 { CD1:24.648 } atom: 909 81P-HG3 G 2.048 ambi=2 { CG:28.428 } :: atom: 898 80L-HD2 D2 0.912 ambi=2 { CD2:23.876 } atom: 908 81P-HG2 G 2.102 ambi=2 { CG:28.428 } :: atom: 898 80L-HD2 D2 0.912 ambi=2 { CD2:23.876 } atom: 909 81P-HG3 G 2.048 ambi=2 { CG:28.428 } ::sumAvg: 4.61 atom: 908 81P-HG2 G 2.102 ambi=2 { CG:28.428 } atom: 897 80L-HD1 D1 0.972 ambi=2 { CD1:24.648 } :: atom: 909 81P-HG3 G 2.048 ambi=2 { CG:28.428 } atom: 897 80L-HD1 D1 0.972 ambi=2 { CD1:24.648 } :: atom: 908 81P-HG2 G 2.102 ambi=2 { CG:28.428 } atom: 898 80L-HD2 D2 0.912 ambi=2 { CD2:23.876 } :: atom: 909 81P-HG3 G 2.048 ambi=2 { CG:28.428 } atom: 898 80L-HD2 D2 0.912 ambi=2 { CD2:23.876 } ::sumAvg: 4.61 atom: 897 80L-HD1 D1 0.972 ambi=2 { CD1:24.648 } atom: 929 83K-H N 8.435 ambi=1 { N:116.99 } :: atom: 898 80L-HD2 D2 0.912 ambi=2 { CD2:23.876 } atom: 929 83K-H N 8.435 ambi=1 { N:116.99 } ::sumAvg: 4.535 atom: 930 83K-HA A 3.982 ambi=1 { CA:56.95 } atom: 897 80L-HD1 D1 0.972 ambi=2 { CD1:24.648 } :: atom: 930 83K-HA A 3.982 ambi=1 { CA:56.95 } atom: 898 80L-HD2 D2 0.912 ambi=2 { CD2:23.876 } ::sumAvg: 4.105 atom: 905 81P-HA A 4.465 ambi=1 { CA:66.463 } atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } ::sumAvg: 4.57 atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } atom: 905 81P-HA A 4.465 ambi=1 { CA:66.463 } ::sumAvg: 4.57 atom: 933 83K-HG2 G 1.495 ambi=2 { CG:25.117 } atom: 905 81P-HA A 4.465 ambi=1 { CA:66.463 } :: atom: 934 83K-HG3 G 1.44 ambi=2 { CG:25.117 } atom: 905 81P-HA A 4.465 ambi=1 { CA:66.463 } ::sumAvg: 4.94 atom: 906 81P-HB2 B 2.518 ambi=2 { CB:30.672 } atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } :: atom: 907 81P-HB3 B 1.532 ambi=2 { CB:30.672 } atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } ::sumAvg: 4.35 atom: 906 81P-HB2 B 2.518 ambi=2 { CB:30.672 } atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } :: atom: 907 81P-HB3 B 1.532 ambi=2 { CB:30.672 } atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } :: atom: 907 81P-HB3 B 1.532 ambi=2 { CB:30.672 } atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } ::sumAvg: 4.98 atom: 910 81P-QD D 3.957 ambi=2 { CD:51.601 } atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } :: atom: 910 81P-QD D 3.957 ambi=2 { CD:51.601 } atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } ::sumAvg: 4.41 atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } atom: 910 81P-QD D 3.957 ambi=2 { CD:51.601 } :: atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } atom: 910 81P-QD D 3.957 ambi=2 { CD:51.601 } ::sumAvg: 4.41 atom: 910 81P-QD D 3.957 ambi=2 { CD:51.601 } atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } ::sumAvg: 4.25 atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } atom: 931 83K-HB2 B 2.301 ambi=2 { CB:29.403 } :: atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } atom: 932 83K-HB3 B 1.915 ambi=2 { CB:29.403 } ::sumAvg: 4.32 atom: 931 83K-HB2 B 2.301 ambi=2 { CB:29.403 } atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } :: atom: 932 83K-HB3 B 1.915 ambi=2 { CB:29.403 } atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } ::sumAvg: 4.32 atom: 933 83K-HG2 G 1.495 ambi=2 { CG:25.117 } atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } :: atom: 934 83K-HG3 G 1.44 ambi=2 { CG:25.117 } atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } ::sumAvg: 4.175 atom: 918 82H-HA A 5.049 ambi=1 { CA:52.462 } atom: 946 84V-H N 7.72 ambi=1 { N:118.592 } ::sumAvg: 4.56 atom: 919 82H-HB2 B 3.339 ambi=2 { CB:29.997 } atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } :: atom: 920 82H-HB3 B 2.701 ambi=2 { CB:29.997 } atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } ::sumAvg: 4.775 atom: 930 83K-HA A 3.982 ambi=1 { CA:56.95 } atom: 937 83K-QE E 3.0535 ambi=2 { CE:42.684 } ::sumAvg: 4.805 atom: 937 83K-QE E 3.0535 ambi=2 { CE:42.684 } atom: 930 83K-HA A 3.982 ambi=1 { CA:56.95 } ::sumAvg: 4.805 atom: 930 83K-HA A 3.982 ambi=1 { CA:56.95 } atom: 947 84V-HA A 4.952 ambi=1 { CA:61.568 } ::sumAvg: 4.565 atom: 947 84V-HA A 4.952 ambi=1 { CA:61.568 } atom: 930 83K-HA A 3.982 ambi=1 { CA:56.95 } ::sumAvg: 4.565 atom: 930 83K-HA A 3.982 ambi=1 { CA:56.95 } atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } :: atom: 930 83K-HA A 3.982 ambi=1 { CA:56.95 } atom: 950 84V-HG2 G2 0.964 ambi=2 { CG2:22.66 } ::sumAvg: 4.53 atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } atom: 930 83K-HA A 3.982 ambi=1 { CA:56.95 } :: atom: 950 84V-HG2 G2 0.964 ambi=2 { CG2:22.66 } atom: 930 83K-HA A 3.982 ambi=1 { CA:56.95 } ::sumAvg: 4.53 atom: 931 83K-HB2 B 2.301 ambi=2 { CB:29.403 } atom: 937 83K-QE E 3.0535 ambi=2 { CE:42.684 } :: atom: 932 83K-HB3 B 1.915 ambi=2 { CB:29.403 } atom: 937 83K-QE E 3.0535 ambi=2 { CE:42.684 } ::sumAvg: 3.985 atom: 937 83K-QE E 3.0535 ambi=2 { CE:42.684 } atom: 931 83K-HB2 B 2.301 ambi=2 { CB:29.403 } :: atom: 937 83K-QE E 3.0535 ambi=2 { CE:42.684 } atom: 932 83K-HB3 B 1.915 ambi=2 { CB:29.403 } ::sumAvg: 3.985 atom: 931 83K-HB2 B 2.301 ambi=2 { CB:29.403 } atom: 946 84V-H N 7.72 ambi=1 { N:118.592 } :: atom: 932 83K-HB3 B 1.915 ambi=2 { CB:29.403 } atom: 946 84V-H N 7.72 ambi=1 { N:118.592 } ::sumAvg: 4.08 atom: 931 83K-HB2 B 2.301 ambi=2 { CB:29.403 } atom: 947 84V-HA A 4.952 ambi=1 { CA:61.568 } :: atom: 932 83K-HB3 B 1.915 ambi=2 { CB:29.403 } atom: 947 84V-HA A 4.952 ambi=1 { CA:61.568 } ::sumAvg: 4.73 atom: 931 83K-HB2 B 2.301 ambi=2 { CB:29.403 } atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } :: atom: 931 83K-HB2 B 2.301 ambi=2 { CB:29.403 } atom: 950 84V-HG2 G2 0.964 ambi=2 { CG2:22.66 } :: atom: 932 83K-HB3 B 1.915 ambi=2 { CB:29.403 } atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } :: atom: 932 83K-HB3 B 1.915 ambi=2 { CB:29.403 } atom: 950 84V-HG2 G2 0.964 ambi=2 { CG2:22.66 } ::sumAvg: 3.955 atom: 933 83K-HG2 G 1.495 ambi=2 { CG:25.117 } atom: 946 84V-H N 7.72 ambi=1 { N:118.592 } :: atom: 934 83K-HG3 G 1.44 ambi=2 { CG:25.117 } atom: 946 84V-H N 7.72 ambi=1 { N:118.592 } ::sumAvg: 4.97 atom: 959 85F-HB2 B 2.967 ambi=2 { CB:43.499 } atom: 947 84V-HA A 4.952 ambi=1 { CA:61.568 } :: atom: 960 85F-HB3 B 2.915 ambi=2 { CB:43.499 } atom: 947 84V-HA A 4.952 ambi=1 { CA:61.568 } ::sumAvg: 4.465 atom: 948 84V-HB B 1.536 ambi=1 { CB:35.191 } atom: 957 85F-H N 8.851 ambi=1 { N:129.548 } ::sumAvg: 4.125 atom: 948 84V-HB B 1.536 ambi=1 { CB:35.191 } atom: 958 85F-HA A 5.184 ambi=1 { CA:56.215 } ::sumAvg: 4.695 atom: 958 85F-HA A 5.184 ambi=1 { CA:56.215 } atom: 948 84V-HB B 1.536 ambi=1 { CB:35.191 } ::sumAvg: 4.695 atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } atom: 959 85F-HB2 B 2.967 ambi=2 { CB:43.499 } :: atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } atom: 960 85F-HB3 B 2.915 ambi=2 { CB:43.499 } :: atom: 950 84V-HG2 G2 0.964 ambi=2 { CG2:22.66 } atom: 959 85F-HB2 B 2.967 ambi=2 { CB:43.499 } :: atom: 950 84V-HG2 G2 0.964 ambi=2 { CG2:22.66 } atom: 960 85F-HB3 B 2.915 ambi=2 { CB:43.499 } ::sumAvg: 4.805 atom: 977 86V-HB B 1.834 ambi=1 { CB:33.888 } atom: 949 84V-HG1 G1 0.703 ambi=2 { CG1:20.253 } :: atom: 977 86V-HB B 1.834 ambi=1 { CB:33.888 } atom: 950 84V-HG2 G2 0.964 ambi=2 { CG2:22.66 } ::sumAvg: 4.745 atom: 958 85F-HA A 5.184 ambi=1 { CA:56.215 } atom: 977 86V-HB B 1.834 ambi=1 { CB:33.888 } ::sumAvg: 4.68 atom: 977 86V-HB B 1.834 ambi=1 { CB:33.888 } atom: 958 85F-HA A 5.184 ambi=1 { CA:56.215 } ::sumAvg: 4.68 atom: 959 85F-HB2 B 2.967 ambi=2 { CB:43.499 } atom: 976 86V-HA A 4.883 ambi=1 { CA:60.132 } :: atom: 960 85F-HB3 B 2.915 ambi=2 { CB:43.499 } atom: 976 86V-HA A 4.883 ambi=1 { CA:60.132 } ::sumAvg: 4.82 atom: 976 86V-HA A 4.883 ambi=1 { CA:60.132 } atom: 959 85F-HB2 B 2.967 ambi=2 { CB:43.499 } :: atom: 976 86V-HA A 4.883 ambi=1 { CA:60.132 } atom: 960 85F-HB3 B 2.915 ambi=2 { CB:43.499 } ::sumAvg: 4.82 atom: 976 86V-HA A 4.883 ambi=1 { CA:60.132 } atom: 961 85F-QD D 7.23 ambi=3 { CD1:131.922 } ::sumAvg: 4.15 atom: 978 86V-HG1 G1 0.617 ambi=2 { CG1:20.486 } atom: 961 85F-QD D 7.23 ambi=3 { CD1:131.922 } :: atom: 979 86V-HG2 G2 0.679 ambi=2 { CG2:20.698 } atom: 961 85F-QD D 7.23 ambi=3 { CD1:131.922 } ::sumAvg: 4.98 atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } atom: 963 85F-QE E 7.223 ambi=3 { CE1:131.237 } ::sumAvg: 4.285 atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } atom: 965 85F-HZ Z 7.263 ambi=1 { CZ:129.74 } ::sumAvg: 4.99 atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } atom: 975 86V-H N 8.89 ambi=1 { N:125.549 } ::sumAvg: 4.9 atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } atom: 977 86V-HB B 1.834 ambi=1 { CB:33.888 } ::sumAvg: 4.685 atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } atom: 978 86V-HG1 G1 0.617 ambi=2 { CG1:20.486 } :: atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } atom: 979 86V-HG2 G2 0.679 ambi=2 { CG2:20.698 } ::sumAvg: 3.6 atom: 978 86V-HG1 G1 0.617 ambi=2 { CG1:20.486 } atom: 997 88I-H N 8.406 ambi=1 { N:125.218 } :: atom: 979 86V-HG2 G2 0.679 ambi=2 { CG2:20.698 } atom: 997 88I-H N 8.406 ambi=1 { N:125.218 } ::sumAvg: 4.15 atom: 978 86V-HG1 G1 0.617 ambi=2 { CG1:20.486 } atom: 998 88I-HA A 5.035 ambi=1 { CA:60.133 } :: atom: 979 86V-HG2 G2 0.679 ambi=2 { CG2:20.698 } atom: 998 88I-HA A 5.035 ambi=1 { CA:60.133 } ::sumAvg: 4.335 atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } atom: 986 87E-H N 8.687 ambi=1 { N:125.169 } ::sumAvg: 2.945 atom: 998 88I-HA A 5.035 ambi=1 { CA:60.133 } atom: 986 87E-H N 8.687 ambi=1 { N:125.169 } ::sumAvg: 4.91 atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } atom: 988 87E-HB2 B 1.928 ambi=2 { CB:33.516 } :: atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } atom: 989 87E-HB3 B 1.85 ambi=2 { CB:33.516 } ::sumAvg: 2.43 atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } atom: 990 87E-HG2 G 2.064 ambi=2 { CG:36.39 } :: atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } atom: 991 87E-HG3 G 1.948 ambi=2 { CG:36.39 } ::sumAvg: 3.185 atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } atom: 999 88I-HB B 2.054 ambi=1 { CB:36.074 } ::sumAvg: 4.685 atom: 1000 88I-HG12 G1 1.247 ambi=2 { CG1:28.239 } atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } :: atom: 1001 88I-HG13 G1 0.732 ambi=2 { CG1:28.239 } atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } ::sumAvg: 3.765 atom: 988 87E-HB2 B 1.928 ambi=2 { CB:33.516 } atom: 998 88I-HA A 5.035 ambi=1 { CA:60.133 } :: atom: 989 87E-HB3 B 1.85 ambi=2 { CB:33.516 } atom: 998 88I-HA A 5.035 ambi=1 { CA:60.133 } ::sumAvg: 4.785 atom: 990 87E-HG2 G 2.064 ambi=2 { CG:36.39 } atom: 1011 89K-H N 9.162 ambi=1 { N:128.65 } :: atom: 991 87E-HG3 G 1.948 ambi=2 { CG:36.39 } atom: 1011 89K-H N 9.162 ambi=1 { N:128.65 } ::sumAvg: 4.675 atom: 990 87E-HG2 G 2.064 ambi=2 { CG:36.39 } atom: 1014 89K-HB3 B 1.58 ambi=2 { CB:36.775 } ::sumAvg: 4.015 atom: 1014 89K-HB3 B 1.58 ambi=2 { CB:36.775 } atom: 990 87E-HG2 G 2.064 ambi=2 { CG:36.39 } ::sumAvg: 4.015 atom: 1015 89K-HG2 G 1.345 ambi=2 { CG:24.626 } atom: 990 87E-HG2 G 2.064 ambi=2 { CG:36.39 } :: atom: 1016 89K-HG3 G 1.294 ambi=2 { CG:24.626 } atom: 990 87E-HG2 G 2.064 ambi=2 { CG:36.39 } :: atom: 1015 89K-HG2 G 1.345 ambi=2 { CG:24.626 } atom: 991 87E-HG3 G 1.948 ambi=2 { CG:36.39 } :: atom: 1016 89K-HG3 G 1.294 ambi=2 { CG:24.626 } atom: 991 87E-HG3 G 1.948 ambi=2 { CG:36.39 } ::sumAvg: 4.565 atom: 990 87E-HG2 G 2.064 ambi=2 { CG:36.39 } atom: 1017 89K-QD D 1.598 ambi=2 { CD:29.295 } ::sumAvg: 3.61 atom: 1017 89K-QD D 1.598 ambi=2 { CD:29.295 } atom: 990 87E-HG2 G 2.064 ambi=2 { CG:36.39 } ::sumAvg: 3.61 atom: 990 87E-HG2 G 2.064 ambi=2 { CG:36.39 } atom: 1019 89K-QE E 2.868 ambi=2 { CE:41.959 } :: atom: 991 87E-HG3 G 1.948 ambi=2 { CG:36.39 } atom: 1019 89K-QE E 2.868 ambi=2 { CE:41.959 } ::sumAvg: 4.535 atom: 1019 89K-QE E 2.868 ambi=2 { CE:41.959 } atom: 990 87E-HG2 G 2.064 ambi=2 { CG:36.39 } :: atom: 1019 89K-QE E 2.868 ambi=2 { CE:41.959 } atom: 991 87E-HG3 G 1.948 ambi=2 { CG:36.39 } ::sumAvg: 4.535 atom: 1013 89K-HB2 B 1.859 ambi=2 { CB:36.775 } atom: 998 88I-HA A 5.035 ambi=1 { CA:60.133 } :: atom: 1014 89K-HB3 B 1.58 ambi=2 { CB:36.775 } atom: 998 88I-HA A 5.035 ambi=1 { CA:60.133 } ::sumAvg: 4.57 atom: 1015 89K-HG2 G 1.345 ambi=2 { CG:24.626 } atom: 998 88I-HA A 5.035 ambi=1 { CA:60.133 } :: atom: 1016 89K-HG3 G 1.294 ambi=2 { CG:24.626 } atom: 998 88I-HA A 5.035 ambi=1 { CA:60.133 } ::sumAvg: 3.865 atom: 999 88I-HB B 2.054 ambi=1 { CB:36.074 } atom: 1011 89K-H N 9.162 ambi=1 { N:128.65 } ::sumAvg: 4.2 atom: 1012 89K-HA A 4.933 ambi=1 { CA:54.502 } atom: 999 88I-HB B 2.054 ambi=1 { CB:36.074 } ::sumAvg: 4.82 atom: 1013 89K-HB2 B 1.859 ambi=2 { CB:36.775 } atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } :: atom: 1014 89K-HB3 B 1.58 ambi=2 { CB:36.775 } atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } ::sumAvg: 4.955 atom: 1015 89K-HG2 G 1.345 ambi=2 { CG:24.626 } atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } :: atom: 1016 89K-HG3 G 1.294 ambi=2 { CG:24.626 } atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } ::sumAvg: 4.675 atom: 1029 90S-HA A 5.08 ambi=1 { CA:58.039 } atom: 1002 88I-HG2 G2 0.431 ambi=1 { CG2:18.743 } ::sumAvg: 4.7 atom: 1019 89K-QE E 2.868 ambi=2 { CE:41.959 } atom: 1011 89K-H N 9.162 ambi=1 { N:128.65 } ::sumAvg: 4.59 atom: 1012 89K-HA A 4.933 ambi=1 { CA:54.502 } atom: 1019 89K-QE E 2.868 ambi=2 { CE:41.959 } ::sumAvg: 4.87 atom: 1019 89K-QE E 2.868 ambi=2 { CE:41.959 } atom: 1012 89K-HA A 4.933 ambi=1 { CA:54.502 } ::sumAvg: 4.87 atom: 1013 89K-HB2 B 1.859 ambi=2 { CB:36.775 } atom: 1029 90S-HA A 5.08 ambi=1 { CA:58.039 } :: atom: 1014 89K-HB3 B 1.58 ambi=2 { CB:36.775 } atom: 1029 90S-HA A 5.08 ambi=1 { CA:58.039 } ::sumAvg: 4.8 atom: 1013 89K-HB2 B 1.859 ambi=2 { CB:36.775 } atom: 1030 90S-HB2 B 3.952 ambi=2 { CB:63.667 } :: atom: 1013 89K-HB2 B 1.859 ambi=2 { CB:36.775 } atom: 1031 90S-HB3 B 3.822 ambi=2 { CB:63.667 } :: atom: 1014 89K-HB3 B 1.58 ambi=2 { CB:36.775 } atom: 1030 90S-HB2 B 3.952 ambi=2 { CB:63.667 } :: atom: 1014 89K-HB3 B 1.58 ambi=2 { CB:36.775 } atom: 1031 90S-HB3 B 3.822 ambi=2 { CB:63.667 } ::sumAvg: 4.875 atom: 1030 90S-HB2 B 3.952 ambi=2 { CB:63.667 } atom: 1013 89K-HB2 B 1.859 ambi=2 { CB:36.775 } :: atom: 1031 90S-HB3 B 3.822 ambi=2 { CB:63.667 } atom: 1013 89K-HB2 B 1.859 ambi=2 { CB:36.775 } :: atom: 1030 90S-HB2 B 3.952 ambi=2 { CB:63.667 } atom: 1014 89K-HB3 B 1.58 ambi=2 { CB:36.775 } :: atom: 1031 90S-HB3 B 3.822 ambi=2 { CB:63.667 } atom: 1014 89K-HB3 B 1.58 ambi=2 { CB:36.775 } ::sumAvg: 4.875 atom: 1015 89K-HG2 G 1.345 ambi=2 { CG:24.626 } atom: 1029 90S-HA A 5.08 ambi=1 { CA:58.039 } :: atom: 1016 89K-HG3 G 1.294 ambi=2 { CG:24.626 } atom: 1029 90S-HA A 5.08 ambi=1 { CA:58.039 } ::sumAvg: 4.465 atom: 1037 91T-HA A 4.299 ambi=1 { CA:62.143 } atom: 1015 89K-HG2 G 1.345 ambi=2 { CG:24.626 } :: atom: 1037 91T-HA A 4.299 ambi=1 { CA:62.143 } atom: 1016 89K-HG3 G 1.294 ambi=2 { CG:24.626 } ::sumAvg: 4.84 atom: 1019 89K-QE E 2.868 ambi=2 { CE:41.959 } atom: 1028 90S-H N 8.801 ambi=1 { N:116.336 } ::sumAvg: 4.785 atom: 1029 90S-HA A 5.08 ambi=1 { CA:58.039 } atom: 1037 91T-HA A 4.299 ambi=1 { CA:62.143 } ::sumAvg: 4.385 atom: 1037 91T-HA A 4.299 ambi=1 { CA:62.143 } atom: 1029 90S-HA A 5.08 ambi=1 { CA:58.039 } ::sumAvg: 4.385 atom: 1030 90S-HB2 B 3.952 ambi=2 { CB:63.667 } atom: 1047 92Q-HB2 B 2.088 ambi=2 { CB:29.645 } :: atom: 1030 90S-HB2 B 3.952 ambi=2 { CB:63.667 } atom: 1048 92Q-HB3 B 1.987 ambi=2 { CB:29.645 } :: atom: 1031 90S-HB3 B 3.822 ambi=2 { CB:63.667 } atom: 1047 92Q-HB2 B 2.088 ambi=2 { CB:29.645 } :: atom: 1031 90S-HB3 B 3.822 ambi=2 { CB:63.667 } atom: 1048 92Q-HB3 B 1.987 ambi=2 { CB:29.645 } ::sumAvg: 4.65 atom: 1047 92Q-HB2 B 2.088 ambi=2 { CB:29.645 } atom: 1030 90S-HB2 B 3.952 ambi=2 { CB:63.667 } :: atom: 1048 92Q-HB3 B 1.987 ambi=2 { CB:29.645 } atom: 1030 90S-HB2 B 3.952 ambi=2 { CB:63.667 } :: atom: 1047 92Q-HB2 B 2.088 ambi=2 { CB:29.645 } atom: 1031 90S-HB3 B 3.822 ambi=2 { CB:63.667 } :: atom: 1048 92Q-HB3 B 1.987 ambi=2 { CB:29.645 } atom: 1031 90S-HB3 B 3.822 ambi=2 { CB:63.667 } ::sumAvg: 4.65 atom: 1030 90S-HB2 B 3.952 ambi=2 { CB:63.667 } atom: 1049 92Q-QG G 2.362 ambi=2 { CG:33.905 } :: atom: 1031 90S-HB3 B 3.822 ambi=2 { CB:63.667 } atom: 1049 92Q-QG G 2.362 ambi=2 { CG:33.905 } ::sumAvg: 4.32 atom: 1049 92Q-QG G 2.362 ambi=2 { CG:33.905 } atom: 1030 90S-HB2 B 3.952 ambi=2 { CB:63.667 } :: atom: 1049 92Q-QG G 2.362 ambi=2 { CG:33.905 } atom: 1031 90S-HB3 B 3.822 ambi=2 { CB:63.667 } ::sumAvg: 4.32 atom: 1030 90S-HB2 B 3.952 ambi=2 { CB:63.667 } atom: 1078 94D-HB2 B 2.714 ambi=2 { CB:41.312 } :: atom: 1030 90S-HB2 B 3.952 ambi=2 { CB:63.667 } atom: 1079 94D-HB3 B 2.613 ambi=2 { CB:41.312 } :: atom: 1031 90S-HB3 B 3.822 ambi=2 { CB:63.667 } atom: 1078 94D-HB2 B 2.714 ambi=2 { CB:41.312 } :: atom: 1031 90S-HB3 B 3.822 ambi=2 { CB:63.667 } atom: 1079 94D-HB3 B 2.613 ambi=2 { CB:41.312 } ::sumAvg: 4.56 atom: 1078 94D-HB2 B 2.714 ambi=2 { CB:41.312 } atom: 1030 90S-HB2 B 3.952 ambi=2 { CB:63.667 } :: atom: 1079 94D-HB3 B 2.613 ambi=2 { CB:41.312 } atom: 1030 90S-HB2 B 3.952 ambi=2 { CB:63.667 } :: atom: 1078 94D-HB2 B 2.714 ambi=2 { CB:41.312 } atom: 1031 90S-HB3 B 3.822 ambi=2 { CB:63.667 } :: atom: 1079 94D-HB3 B 2.613 ambi=2 { CB:41.312 } atom: 1031 90S-HB3 B 3.822 ambi=2 { CB:63.667 } ::sumAvg: 4.56 atom: 1038 91T-HB B 4.258 ambi=1 { CB:69.431 } atom: 1036 91T-H N 8.562 ambi=1 { N:117.74 } ::sumAvg: 3.205 atom: 1047 92Q-HB2 B 2.088 ambi=2 { CB:29.645 } atom: 1036 91T-H N 8.562 ambi=1 { N:117.74 } :: atom: 1048 92Q-HB3 B 1.987 ambi=2 { CB:29.645 } atom: 1036 91T-H N 8.562 ambi=1 { N:117.74 } ::sumAvg: 4.745 atom: 1049 92Q-QG G 2.362 ambi=2 { CG:33.905 } atom: 1036 91T-H N 8.562 ambi=1 { N:117.74 } ::sumAvg: 3.725 atom: 1037 91T-HA A 4.299 ambi=1 { CA:62.143 } atom: 1049 92Q-QG G 2.362 ambi=2 { CG:33.905 } ::sumAvg: 4.96 atom: 1049 92Q-QG G 2.362 ambi=2 { CG:33.905 } atom: 1037 91T-HA A 4.299 ambi=1 { CA:62.143 } ::sumAvg: 4.96 atom: 1038 91T-HB B 4.258 ambi=1 { CB:69.431 } atom: 1045 92Q-H N 8.423 ambi=1 { N:122.268 } ::sumAvg: 4.14 atom: 1038 91T-HB B 4.258 ambi=1 { CB:69.431 } atom: 1049 92Q-QG G 2.362 ambi=2 { CG:33.905 } ::sumAvg: 4.975 atom: 1049 92Q-QG G 2.362 ambi=2 { CG:33.905 } atom: 1038 91T-HB B 4.258 ambi=1 { CB:69.431 } ::sumAvg: 4.975 atom: 1039 91T-HG2 G2 1.123 ambi=1 { CG2:22.102 } atom: 1046 92Q-HA A 4.371 ambi=1 { CA:55.83 } ::sumAvg: 4.68 atom: 1046 92Q-HA A 4.371 ambi=1 { CA:55.83 } atom: 1039 91T-HG2 G2 1.123 ambi=1 { CG2:22.102 } ::sumAvg: 4.68 atom: 1047 92Q-HB2 B 2.088 ambi=2 { CB:29.645 } atom: 1039 91T-HG2 G2 1.123 ambi=1 { CG2:22.102 } :: atom: 1048 92Q-HB3 B 1.987 ambi=2 { CB:29.645 } atom: 1039 91T-HG2 G2 1.123 ambi=1 { CG2:22.102 } ::sumAvg: 4.875 atom: 1039 91T-HG2 G2 1.123 ambi=1 { CG2:22.102 } atom: 1049 92Q-QG G 2.362 ambi=2 { CG:33.905 } ::sumAvg: 3.695 atom: 1049 92Q-QG G 2.362 ambi=2 { CG:33.905 } atom: 1039 91T-HG2 G2 1.123 ambi=1 { CG2:22.102 } ::sumAvg: 3.695 atom: 1046 92Q-HA A 4.371 ambi=1 { CA:55.83 } atom: 1051 92Q-HE21 E2 7.61 ambi=2 { NE2:112.702 } :: atom: 1046 92Q-HA A 4.371 ambi=1 { CA:55.83 } atom: 1052 92Q-HE22 E2 6.86 ambi=2 { NE2:112.702 } ::sumAvg: 3.97 atom: 1047 92Q-HB2 B 2.088 ambi=2 { CB:29.645 } atom: 1051 92Q-HE21 E2 7.61 ambi=2 { NE2:112.702 } :: atom: 1047 92Q-HB2 B 2.088 ambi=2 { CB:29.645 } atom: 1052 92Q-HE22 E2 6.86 ambi=2 { NE2:112.702 } :: atom: 1048 92Q-HB3 B 1.987 ambi=2 { CB:29.645 } atom: 1051 92Q-HE21 E2 7.61 ambi=2 { NE2:112.702 } :: atom: 1048 92Q-HB3 B 1.987 ambi=2 { CB:29.645 } atom: 1052 92Q-HE22 E2 6.86 ambi=2 { NE2:112.702 } ::sumAvg: 3.14 atom: 1047 92Q-HB2 B 2.088 ambi=2 { CB:29.645 } atom: 1060 93K-HA A 4.314 ambi=1 { CA:56.432 } :: atom: 1048 92Q-HB3 B 1.987 ambi=2 { CB:29.645 } atom: 1060 93K-HA A 4.314 ambi=1 { CA:56.432 } ::sumAvg: 4.97 atom: 1060 93K-HA A 4.314 ambi=1 { CA:56.432 } atom: 1047 92Q-HB2 B 2.088 ambi=2 { CB:29.645 } :: atom: 1060 93K-HA A 4.314 ambi=1 { CA:56.432 } atom: 1048 92Q-HB3 B 1.987 ambi=2 { CB:29.645 } ::sumAvg: 4.97 atom: 1047 92Q-HB2 B 2.088 ambi=2 { CB:29.645 } atom: 1063 93K-QG G 1.416 ambi=2 { CG:24.644 } :: atom: 1048 92Q-HB3 B 1.987 ambi=2 { CB:29.645 } atom: 1063 93K-QG G 1.416 ambi=2 { CG:24.644 } ::sumAvg: 4.08 atom: 1047 92Q-HB2 B 2.088 ambi=2 { CB:29.645 } atom: 1065 93K-QD D 1.678 ambi=2 { CD:29.106 } ::sumAvg: 4.275 atom: 1065 93K-QD D 1.678 ambi=2 { CD:29.106 } atom: 1047 92Q-HB2 B 2.088 ambi=2 { CB:29.645 } ::sumAvg: 4.275 atom: 1049 92Q-QG G 2.362 ambi=2 { CG:33.905 } atom: 1063 93K-QG G 1.416 ambi=2 { CG:24.644 } ::sumAvg: 4.9 atom: 1063 93K-QG G 1.416 ambi=2 { CG:24.644 } atom: 1049 92Q-QG G 2.362 ambi=2 { CG:33.905 } ::sumAvg: 4.9 atom: 1065 93K-QD D 1.678 ambi=2 { CD:29.106 } atom: 1059 93K-H N 8.463 ambi=1 { N:123.651 } ::sumAvg: 3.17 atom: 1067 93K-QE E 3 ambi=2 { CE:42.64 } atom: 1059 93K-H N 8.463 ambi=1 { N:123.651 } ::sumAvg: 4.81 atom: 1060 93K-HA A 4.314 ambi=1 { CA:56.432 } atom: 1067 93K-QE E 3 ambi=2 { CE:42.64 } ::sumAvg: 4.385 atom: 1067 93K-QE E 3 ambi=2 { CE:42.64 } atom: 1060 93K-HA A 4.314 ambi=1 { CA:56.432 } ::sumAvg: 4.385 atom: 1060 93K-HA A 4.314 ambi=1 { CA:56.432 } atom: 1078 94D-HB2 B 2.714 ambi=2 { CB:41.312 } :: atom: 1060 93K-HA A 4.314 ambi=1 { CA:56.432 } atom: 1079 94D-HB3 B 2.613 ambi=2 { CB:41.312 } ::sumAvg: 4.72 atom: 1078 94D-HB2 B 2.714 ambi=2 { CB:41.312 } atom: 1060 93K-HA A 4.314 ambi=1 { CA:56.432 } :: atom: 1079 94D-HB3 B 2.613 ambi=2 { CB:41.312 } atom: 1060 93K-HA A 4.314 ambi=1 { CA:56.432 } ::sumAvg: 4.72 atom: 1077 94D-HA A 4.625 ambi=1 { CA:54.258 } atom: 1061 93K-HB2 B 1.736 ambi=2 { CB:33.247 } :: atom: 1077 94D-HA A 4.625 ambi=1 { CA:54.258 } atom: 1062 93K-HB3 B 1.822 ambi=2 { CB:33.247 } ::sumAvg: 4.85 atom: 1065 93K-QD D 1.678 ambi=2 { CD:29.106 } atom: 1076 94D-H N 8.478 ambi=1 { N:121.925 } ::sumAvg: 4.3 atom: 1065 93K-QD D 1.678 ambi=2 { CD:29.106 } atom: 1077 94D-HA A 4.625 ambi=1 { CA:54.258 } ::sumAvg: 4.945 atom: 1077 94D-HA A 4.625 ambi=1 { CA:54.258 } atom: 1065 93K-QD D 1.678 ambi=2 { CD:29.106 } ::sumAvg: 4.945 atom: 1077 94D-HA A 4.625 ambi=1 { CA:54.258 } atom: 1086 95S-QB B 3.852 ambi=2 { CB:63.901 } ::sumAvg: 4.205 atom: 1086 95S-QB B 3.852 ambi=2 { CB:63.901 } atom: 1077 94D-HA A 4.625 ambi=1 { CA:54.258 } ::sumAvg: 4.205 atom: 1078 94D-HB2 B 2.714 ambi=2 { CB:41.312 } atom: 1084 95S-H N 8.267 ambi=1 { N:116.507 } :: atom: 1079 94D-HB3 B 2.613 ambi=2 { CB:41.312 } atom: 1084 95S-H N 8.267 ambi=1 { N:116.507 } ::sumAvg: 3.245 atom: 1078 94D-HB2 B 2.714 ambi=2 { CB:41.312 } atom: 1085 95S-HA A 4.413 ambi=1 { CA:58.431 } :: atom: 1079 94D-HB3 B 2.613 ambi=2 { CB:41.312 } atom: 1085 95S-HA A 4.413 ambi=1 { CA:58.431 } ::sumAvg: 4.78 atom: 1085 95S-HA A 4.413 ambi=1 { CA:58.431 } atom: 1078 94D-HB2 B 2.714 ambi=2 { CB:41.312 } :: atom: 1085 95S-HA A 4.413 ambi=1 { CA:58.431 } atom: 1079 94D-HB3 B 2.613 ambi=2 { CB:41.312 } ::sumAvg: 4.78 atom: 1078 94D-HB2 B 2.714 ambi=2 { CB:41.312 } atom: 1094 96K-HB2 B 1.797 ambi=2 { CB:33.119 } :: atom: 1078 94D-HB2 B 2.714 ambi=2 { CB:41.312 } atom: 1095 96K-HB3 B 1.747 ambi=2 { CB:33.119 } :: atom: 1079 94D-HB3 B 2.613 ambi=2 { CB:41.312 } atom: 1094 96K-HB2 B 1.797 ambi=2 { CB:33.119 } :: atom: 1079 94D-HB3 B 2.613 ambi=2 { CB:41.312 } atom: 1095 96K-HB3 B 1.747 ambi=2 { CB:33.119 } ::sumAvg: 4.865 atom: 1094 96K-HB2 B 1.797 ambi=2 { CB:33.119 } atom: 1078 94D-HB2 B 2.714 ambi=2 { CB:41.312 } :: atom: 1095 96K-HB3 B 1.747 ambi=2 { CB:33.119 } atom: 1078 94D-HB2 B 2.714 ambi=2 { CB:41.312 } :: atom: 1094 96K-HB2 B 1.797 ambi=2 { CB:33.119 } atom: 1079 94D-HB3 B 2.613 ambi=2 { CB:41.312 } :: atom: 1095 96K-HB3 B 1.747 ambi=2 { CB:33.119 } atom: 1079 94D-HB3 B 2.613 ambi=2 { CB:41.312 } ::sumAvg: 4.865 atom: 1078 94D-HB2 B 2.714 ambi=2 { CB:41.312 } atom: 1096 96K-QG G 1.411 ambi=2 { CG:24.586 } :: atom: 1079 94D-HB3 B 2.613 ambi=2 { CB:41.312 } atom: 1096 96K-QG G 1.411 ambi=2 { CG:24.586 } ::sumAvg: 4.08 atom: 1096 96K-QG G 1.411 ambi=2 { CG:24.586 } atom: 1078 94D-HB2 B 2.714 ambi=2 { CB:41.312 } :: atom: 1096 96K-QG G 1.411 ambi=2 { CG:24.586 } atom: 1079 94D-HB3 B 2.613 ambi=2 { CB:41.312 } ::sumAvg: 4.08 atom: 1096 96K-QG G 1.411 ambi=2 { CG:24.586 } atom: 1084 95S-H N 8.267 ambi=1 { N:116.507 } ::sumAvg: 4.11 atom: 1098 96K-QD D 1.674 ambi=2 { CD:29.069 } atom: 1084 95S-H N 8.267 ambi=1 { N:116.507 } ::sumAvg: 4.575 atom: 1086 95S-QB B 3.852 ambi=2 { CB:63.901 } atom: 1092 96K-H N 8.35 ambi=1 { N:122.992 } ::sumAvg: 3.545 atom: 1086 95S-QB B 3.852 ambi=2 { CB:63.901 } atom: 1093 96K-HA A 4.335 ambi=1 { CA:55.99 } ::sumAvg: 4.57 atom: 1093 96K-HA A 4.335 ambi=1 { CA:55.99 } atom: 1086 95S-QB B 3.852 ambi=2 { CB:63.901 } ::sumAvg: 4.57 atom: 1096 96K-QG G 1.411 ambi=2 { CG:24.586 } atom: 1086 95S-QB B 3.852 ambi=2 { CB:63.901 } ::sumAvg: 4.465 atom: 1096 96K-QG G 1.411 ambi=2 { CG:24.586 } atom: 1092 96K-H N 8.35 ambi=1 { N:122.992 } ::sumAvg: 2.57 atom: 1098 96K-QD D 1.674 ambi=2 { CD:29.069 } atom: 1092 96K-H N 8.35 ambi=1 { N:122.992 } ::sumAvg: 3.67 atom: 1100 96K-QE E 2.989 ambi=2 { CE:42.262 } atom: 1092 96K-H N 8.35 ambi=1 { N:122.992 } ::sumAvg: 4.64 atom: 1093 96K-HA A 4.335 ambi=1 { CA:55.99 } atom: 1100 96K-QE E 2.989 ambi=2 { CE:42.262 } ::sumAvg: 4.165 atom: 1100 96K-QE E 2.989 ambi=2 { CE:42.262 } atom: 1093 96K-HA A 4.335 ambi=1 { CA:55.99 } ::sumAvg: 4.165 atom: 1110 97D-HA A 4.842 ambi=1 { CA:52.598 } atom: 1093 96K-HA A 4.335 ambi=1 { CA:55.99 } ::sumAvg: 4.525 atom: 1093 96K-HA A 4.335 ambi=1 { CA:55.99 } atom: 1111 97D-HB2 B 2.762 ambi=2 { CB:40.905 } :: atom: 1093 96K-HA A 4.335 ambi=1 { CA:55.99 } atom: 1112 97D-HB3 B 2.512 ambi=2 { CB:40.905 } ::sumAvg: 4.83 atom: 1111 97D-HB2 B 2.762 ambi=2 { CB:40.905 } atom: 1093 96K-HA A 4.335 ambi=1 { CA:55.99 } :: atom: 1112 97D-HB3 B 2.512 ambi=2 { CB:40.905 } atom: 1093 96K-HA A 4.335 ambi=1 { CA:55.99 } ::sumAvg: 4.83 atom: 1094 96K-HB2 B 1.797 ambi=2 { CB:33.119 } atom: 1110 97D-HA A 4.842 ambi=1 { CA:52.598 } :: atom: 1095 96K-HB3 B 1.747 ambi=2 { CB:33.119 } atom: 1110 97D-HA A 4.842 ambi=1 { CA:52.598 } ::sumAvg: 4.83 atom: 1110 97D-HA A 4.842 ambi=1 { CA:52.598 } atom: 1094 96K-HB2 B 1.797 ambi=2 { CB:33.119 } :: atom: 1110 97D-HA A 4.842 ambi=1 { CA:52.598 } atom: 1095 96K-HB3 B 1.747 ambi=2 { CB:33.119 } ::sumAvg: 4.83 atom: 1096 96K-QG G 1.411 ambi=2 { CG:24.586 } atom: 1109 97D-H N 8.405 ambi=1 { N:123.585 } ::sumAvg: 4.01 atom: 1098 96K-QD D 1.674 ambi=2 { CD:29.069 } atom: 1109 97D-H N 8.405 ambi=1 { N:123.585 } ::sumAvg: 4.39 atom: 1100 96K-QE E 2.989 ambi=2 { CE:42.262 } atom: 1109 97D-H N 8.405 ambi=1 { N:123.585 } ::sumAvg: 4.43 atom: 1110 97D-HA A 4.842 ambi=1 { CA:52.598 } atom: 1116 98P-HA A 4.413 ambi=1 { CA:63.547 } ::sumAvg: 4.425 atom: 1116 98P-HA A 4.413 ambi=1 { CA:63.547 } atom: 1110 97D-HA A 4.842 ambi=1 { CA:52.598 } ::sumAvg: 4.425 atom: 1110 97D-HA A 4.842 ambi=1 { CA:52.598 } atom: 1117 98P-HB2 B 2.284 ambi=2 { CB:32.197 } :: atom: 1110 97D-HA A 4.842 ambi=1 { CA:52.598 } atom: 1118 98P-HB3 B 1.954 ambi=2 { CB:32.197 } ::sumAvg: 4.98 atom: 1117 98P-HB2 B 2.284 ambi=2 { CB:32.197 } atom: 1110 97D-HA A 4.842 ambi=1 { CA:52.598 } :: atom: 1118 98P-HB3 B 1.954 ambi=2 { CB:32.197 } atom: 1110 97D-HA A 4.842 ambi=1 { CA:52.598 } ::sumAvg: 4.98 atom: 1110 97D-HA A 4.842 ambi=1 { CA:52.598 } atom: 1119 98P-QG G 2.013 ambi=2 { CG:27.281 } ::sumAvg: 3.97 atom: 1110 97D-HA A 4.842 ambi=1 { CA:52.598 } atom: 1128 99D-H N 8.464 ambi=1 { N:119.955 } ::sumAvg: 4.27 atom: 1111 97D-HB2 B 2.762 ambi=2 { CB:40.905 } atom: 1119 98P-QG G 2.013 ambi=2 { CG:27.281 } :: atom: 1112 97D-HB3 B 2.512 ambi=2 { CB:40.905 } atom: 1119 98P-QG G 2.013 ambi=2 { CG:27.281 } ::sumAvg: 4.46 atom: 1119 98P-QG G 2.013 ambi=2 { CG:27.281 } atom: 1111 97D-HB2 B 2.762 ambi=2 { CB:40.905 } :: atom: 1119 98P-QG G 2.013 ambi=2 { CG:27.281 } atom: 1112 97D-HB3 B 2.512 ambi=2 { CB:40.905 } ::sumAvg: 4.46 atom: 1117 98P-HB2 B 2.284 ambi=2 { CB:32.197 } atom: 1129 99D-HA A 4.63 ambi=1 { CA:54.822 } :: atom: 1118 98P-HB3 B 1.954 ambi=2 { CB:32.197 } atom: 1129 99D-HA A 4.63 ambi=1 { CA:54.822 } ::sumAvg: 4.37 atom: 1117 98P-HB2 B 2.284 ambi=2 { CB:32.197 } atom: 1130 99D-HB2 B 2.744 ambi=2 { CB:40.99 } :: atom: 1118 98P-HB3 B 1.954 ambi=2 { CB:32.197 } atom: 1130 99D-HB2 B 2.744 ambi=2 { CB:40.99 } :: atom: 1118 98P-HB3 B 1.954 ambi=2 { CB:32.197 } atom: 1131 99D-HB3 B 2.633 ambi=2 { CB:40.99 } ::sumAvg: 4.98 atom: 1130 99D-HB2 B 2.744 ambi=2 { CB:40.99 } atom: 1117 98P-HB2 B 2.284 ambi=2 { CB:32.197 } :: atom: 1130 99D-HB2 B 2.744 ambi=2 { CB:40.99 } atom: 1118 98P-HB3 B 1.954 ambi=2 { CB:32.197 } :: atom: 1131 99D-HB3 B 2.633 ambi=2 { CB:40.99 } atom: 1118 98P-HB3 B 1.954 ambi=2 { CB:32.197 } ::sumAvg: 4.98 atom: 1117 98P-HB2 B 2.284 ambi=2 { CB:32.197 } atom: 1136 100T-H N 7.973 ambi=1 { N:113.655 } :: atom: 1118 98P-HB3 B 1.954 ambi=2 { CB:32.197 } atom: 1136 100T-H N 7.973 ambi=1 { N:113.655 } ::sumAvg: 4.495 atom: 1119 98P-QG G 2.013 ambi=2 { CG:27.281 } atom: 1129 99D-HA A 4.63 ambi=1 { CA:54.822 } ::sumAvg: 4.87 atom: 1119 98P-QG G 2.013 ambi=2 { CG:27.281 } atom: 1130 99D-HB2 B 2.744 ambi=2 { CB:40.99 } :: atom: 1119 98P-QG G 2.013 ambi=2 { CG:27.281 } atom: 1131 99D-HB3 B 2.633 ambi=2 { CB:40.99 } ::sumAvg: 4.945 atom: 1130 99D-HB2 B 2.744 ambi=2 { CB:40.99 } atom: 1119 98P-QG G 2.013 ambi=2 { CG:27.281 } :: atom: 1131 99D-HB3 B 2.633 ambi=2 { CB:40.99 } atom: 1119 98P-QG G 2.013 ambi=2 { CG:27.281 } ::sumAvg: 4.945 atom: 1129 99D-HA A 4.63 ambi=1 { CA:54.822 } atom: 1139 100T-HG2 G2 1.204 ambi=1 { CG2:21.632 } ::sumAvg: 4.745 atom: 1139 100T-HG2 G2 1.204 ambi=1 { CG2:21.632 } atom: 1129 99D-HA A 4.63 ambi=1 { CA:54.822 } ::sumAvg: 4.745 atom: 1130 99D-HB2 B 2.744 ambi=2 { CB:40.99 } atom: 1137 100T-HA A 4.264 ambi=1 { CA:62.329 } :: atom: 1131 99D-HB3 B 2.633 ambi=2 { CB:40.99 } atom: 1137 100T-HA A 4.264 ambi=1 { CA:62.329 } ::sumAvg: 4.695 atom: 1137 100T-HA A 4.264 ambi=1 { CA:62.329 } atom: 1130 99D-HB2 B 2.744 ambi=2 { CB:40.99 } :: atom: 1137 100T-HA A 4.264 ambi=1 { CA:62.329 } atom: 1131 99D-HB3 B 2.633 ambi=2 { CB:40.99 } ::sumAvg: 4.695 atom: 1130 99D-HB2 B 2.744 ambi=2 { CB:40.99 } atom: 1139 100T-HG2 G2 1.204 ambi=1 { CG2:21.632 } :: atom: 1131 99D-HB3 B 2.633 ambi=2 { CB:40.99 } atom: 1139 100T-HG2 G2 1.204 ambi=1 { CG2:21.632 } ::sumAvg: 4.675 atom: 1139 100T-HG2 G2 1.204 ambi=1 { CG2:21.632 } atom: 1130 99D-HB2 B 2.744 ambi=2 { CB:40.99 } :: atom: 1139 100T-HG2 G2 1.204 ambi=1 { CG2:21.632 } atom: 1131 99D-HB3 B 2.633 ambi=2 { CB:40.99 } ::sumAvg: 4.675 atom: 1138 100T-HB B 4.326 ambi=1 { CB:69.838 } atom: 1136 100T-H N 7.973 ambi=1 { N:113.655 } ::sumAvg: 3.22 atom: 1138 100T-HB B 4.326 ambi=1 { CB:69.838 } atom: 1145 101D-H N 8.328 ambi=1 { N:122.434 } ::sumAvg: 3.515 atom: 1139 100T-HG2 G2 1.204 ambi=1 { CG2:21.632 } atom: 1146 101D-HA A 4.605 ambi=1 { CA:54.738 } ::sumAvg: 4.6 atom: 1146 101D-HA A 4.605 ambi=1 { CA:54.738 } atom: 1139 100T-HG2 G2 1.204 ambi=1 { CG2:21.632 } ::sumAvg: 4.6 atom: 1139 100T-HG2 G2 1.204 ambi=1 { CG2:21.632 } atom: 1147 101D-HB2 B 2.693 ambi=2 { CB:41.051 } :: atom: 1139 100T-HG2 G2 1.204 ambi=1 { CG2:21.632 } atom: 1148 101D-HB3 B 2.601 ambi=2 { CB:41.051 } ::sumAvg: 4.505 atom: 1147 101D-HB2 B 2.693 ambi=2 { CB:41.051 } atom: 1139 100T-HG2 G2 1.204 ambi=1 { CG2:21.632 } :: atom: 1148 101D-HB3 B 2.601 ambi=2 { CB:41.051 } atom: 1139 100T-HG2 G2 1.204 ambi=1 { CG2:21.632 } ::sumAvg: 4.505 atom: 1146 101D-HA A 4.605 ambi=1 { CA:54.738 } atom: 1155 102L-QB B 1.58 ambi=2 { CB:42.377 } ::sumAvg: 4.505 atom: 1155 102L-QB B 1.58 ambi=2 { CB:42.377 } atom: 1146 101D-HA A 4.605 ambi=1 { CA:54.738 } ::sumAvg: 4.505 atom: 1146 101D-HA A 4.605 ambi=1 { CA:54.738 } atom: 1158 102L-HD1 D1 0.907 ambi=2 { CD1:24.929 } :: atom: 1146 101D-HA A 4.605 ambi=1 { CA:54.738 } atom: 1159 102L-HD2 D2 0.841 ambi=2 { CD2:23.618 } ::sumAvg: 4.465 atom: 1158 102L-HD1 D1 0.907 ambi=2 { CD1:24.929 } atom: 1146 101D-HA A 4.605 ambi=1 { CA:54.738 } :: atom: 1159 102L-HD2 D2 0.841 ambi=2 { CD2:23.618 } atom: 1146 101D-HA A 4.605 ambi=1 { CA:54.738 } ::sumAvg: 4.465 atom: 1147 101D-HB2 B 2.693 ambi=2 { CB:41.051 } atom: 1154 102L-HA A 4.304 ambi=1 { CA:55.258 } :: atom: 1148 101D-HB3 B 2.601 ambi=2 { CB:41.051 } atom: 1154 102L-HA A 4.304 ambi=1 { CA:55.258 } ::sumAvg: 4.62 atom: 1154 102L-HA A 4.304 ambi=1 { CA:55.258 } atom: 1147 101D-HB2 B 2.693 ambi=2 { CB:41.051 } :: atom: 1154 102L-HA A 4.304 ambi=1 { CA:55.258 } atom: 1148 101D-HB3 B 2.601 ambi=2 { CB:41.051 } ::sumAvg: 4.62 atom: 1170 103I-HG12 G1 1.469 ambi=2 { CG1:27.354 } atom: 1153 102L-H N 7.995 ambi=1 { N:121.653 } :: atom: 1171 103I-HG13 G1 1.163 ambi=2 { CG1:27.354 } atom: 1153 102L-H N 7.995 ambi=1 { N:121.653 } ::sumAvg: 4.93 atom: 1154 102L-HA A 4.304 ambi=1 { CA:55.258 } atom: 1169 103I-HB B 1.832 ambi=1 { CB:38.342 } ::sumAvg: 4.875 atom: 1169 103I-HB B 1.832 ambi=1 { CB:38.342 } atom: 1154 102L-HA A 4.304 ambi=1 { CA:55.258 } ::sumAvg: 4.875 atom: 1154 102L-HA A 4.304 ambi=1 { CA:55.258 } atom: 1170 103I-HG12 G1 1.469 ambi=2 { CG1:27.354 } :: atom: 1154 102L-HA A 4.304 ambi=1 { CA:55.258 } atom: 1171 103I-HG13 G1 1.163 ambi=2 { CG1:27.354 } ::sumAvg: 4.18 atom: 1170 103I-HG12 G1 1.469 ambi=2 { CG1:27.354 } atom: 1154 102L-HA A 4.304 ambi=1 { CA:55.258 } :: atom: 1171 103I-HG13 G1 1.163 ambi=2 { CG1:27.354 } atom: 1154 102L-HA A 4.304 ambi=1 { CA:55.258 } ::sumAvg: 4.18 atom: 1173 103I-HD1 D1 0.831 ambi=1 { CD1:12.57 } atom: 1154 102L-HA A 4.304 ambi=1 { CA:55.258 } ::sumAvg: 4.1 atom: 1155 102L-QB B 1.58 ambi=2 { CB:42.377 } atom: 1168 103I-HA A 4.136 ambi=1 { CA:61.024 } ::sumAvg: 4.655 atom: 1155 102L-QB B 1.58 ambi=2 { CB:42.377 } atom: 1171 103I-HG13 G1 1.163 ambi=2 { CG1:27.354 } ::sumAvg: 4.81 atom: 1171 103I-HG13 G1 1.163 ambi=2 { CG1:27.354 } atom: 1155 102L-QB B 1.58 ambi=2 { CB:42.377 } ::sumAvg: 4.81 atom: 1184 104V-HG1 G1 0.885 ambi=2 { CG1:20.957 } atom: 1155 102L-QB B 1.58 ambi=2 { CB:42.377 } :: atom: 1185 104V-HG2 G2 0.911 ambi=2 { CG2:20.428 } atom: 1155 102L-QB B 1.58 ambi=2 { CB:42.377 } ::sumAvg: 4.47 atom: 1157 102L-HG G 1.567 ambi=1 { CG:26.955 } atom: 1167 103I-H N 8.112 ambi=1 { N:122.635 } ::sumAvg: 4.21 atom: 1158 102L-HD1 D1 0.907 ambi=2 { CD1:24.929 } atom: 1170 103I-HG12 G1 1.469 ambi=2 { CG1:27.354 } :: atom: 1159 102L-HD2 D2 0.841 ambi=2 { CD2:23.618 } atom: 1170 103I-HG12 G1 1.469 ambi=2 { CG1:27.354 } ::sumAvg: 4.99 atom: 1173 103I-HD1 D1 0.831 ambi=1 { CD1:12.57 } atom: 1167 103I-H N 8.112 ambi=1 { N:122.635 } ::sumAvg: 3.13 atom: 1184 104V-HG1 G1 0.885 ambi=2 { CG1:20.957 } atom: 1167 103I-H N 8.112 ambi=1 { N:122.635 } :: atom: 1185 104V-HG2 G2 0.911 ambi=2 { CG2:20.428 } atom: 1167 103I-H N 8.112 ambi=1 { N:122.635 } ::sumAvg: 4.71 atom: 1184 104V-HG1 G1 0.885 ambi=2 { CG1:20.957 } atom: 1168 103I-HA A 4.136 ambi=1 { CA:61.024 } :: atom: 1185 104V-HG2 G2 0.911 ambi=2 { CG2:20.428 } atom: 1168 103I-HA A 4.136 ambi=1 { CA:61.024 } ::sumAvg: 4.15 atom: 1169 103I-HB B 1.832 ambi=1 { CB:38.342 } atom: 1181 104V-H N 7.992 ambi=1 { N:123.79 } ::sumAvg: 3.475 atom: 1169 103I-HB B 1.832 ambi=1 { CB:38.342 } atom: 1184 104V-HG1 G1 0.885 ambi=2 { CG1:20.957 } :: atom: 1169 103I-HB B 1.832 ambi=1 { CB:38.342 } atom: 1185 104V-HG2 G2 0.911 ambi=2 { CG2:20.428 } ::sumAvg: 4.335 atom: 1170 103I-HG12 G1 1.469 ambi=2 { CG1:27.354 } atom: 1181 104V-H N 7.992 ambi=1 { N:123.79 } :: atom: 1171 103I-HG13 G1 1.163 ambi=2 { CG1:27.354 } atom: 1181 104V-H N 7.992 ambi=1 { N:123.79 } ::sumAvg: 4.665 atom: 1172 103I-HG2 G2 0.831 ambi=1 { CG2:17.473 } atom: 1182 104V-HA A 4.27 ambi=1 { CA:59.052 } ::sumAvg: 3.985 atom: 1182 104V-HA A 4.27 ambi=1 { CA:59.052 } atom: 1172 103I-HG2 G2 0.831 ambi=1 { CG2:17.473 } ::sumAvg: 3.985 atom: 1172 103I-HG2 G2 0.831 ambi=1 { CG2:17.473 } atom: 1183 104V-HB B 1.967 ambi=1 { CB:34.548 } ::sumAvg: 4.455 atom: 1183 104V-HB B 1.967 ambi=1 { CB:34.548 } atom: 1172 103I-HG2 G2 0.831 ambi=1 { CG2:17.473 } ::sumAvg: 4.455 atom: 1172 103I-HG2 G2 0.831 ambi=1 { CG2:17.473 } atom: 1196 105P-HD2 D 3.7 ambi=2 { CD:51.051 } :: atom: 1172 103I-HG2 G2 0.831 ambi=1 { CG2:17.473 } atom: 1197 105P-HD3 D 3.857 ambi=2 { CD:51.051 } ::sumAvg: 4.07 atom: 1196 105P-HD2 D 3.7 ambi=2 { CD:51.051 } atom: 1172 103I-HG2 G2 0.831 ambi=1 { CG2:17.473 } :: atom: 1197 105P-HD3 D 3.857 ambi=2 { CD:51.051 } atom: 1172 103I-HG2 G2 0.831 ambi=1 { CG2:17.473 } ::sumAvg: 4.07 atom: 1173 103I-HD1 D1 0.831 ambi=1 { CD1:12.57 } atom: 1181 104V-H N 7.992 ambi=1 { N:123.79 } ::sumAvg: 4.505 atom: 1182 104V-HA A 4.27 ambi=1 { CA:59.052 } atom: 1181 104V-H N 7.992 ambi=1 { N:123.79 } ::sumAvg: 2.61 atom: 1183 104V-HB B 1.967 ambi=1 { CB:34.548 } atom: 1181 104V-H N 7.992 ambi=1 { N:123.79 } ::sumAvg: 3.155 atom: 1184 104V-HG1 G1 0.885 ambi=2 { CG1:20.957 } atom: 1181 104V-H N 7.992 ambi=1 { N:123.79 } :: atom: 1185 104V-HG2 G2 0.911 ambi=2 { CG2:20.428 } atom: 1181 104V-H N 7.992 ambi=1 { N:123.79 } ::sumAvg: 2.295 atom: 1196 105P-HD2 D 3.7 ambi=2 { CD:51.051 } atom: 1181 104V-H N 7.992 ambi=1 { N:123.79 } :: atom: 1197 105P-HD3 D 3.857 ambi=2 { CD:51.051 } atom: 1181 104V-H N 7.992 ambi=1 { N:123.79 } ::sumAvg: 4.005 atom: 1182 104V-HA A 4.27 ambi=1 { CA:59.052 } atom: 1183 104V-HB B 1.967 ambi=1 { CB:34.548 } ::sumAvg: 2.72 atom: 1183 104V-HB B 1.967 ambi=1 { CB:34.548 } atom: 1182 104V-HA A 4.27 ambi=1 { CA:59.052 } ::sumAvg: 2.72 atom: 1184 104V-HG1 G1 0.885 ambi=2 { CG1:20.957 } atom: 1182 104V-HA A 4.27 ambi=1 { CA:59.052 } :: atom: 1185 104V-HG2 G2 0.911 ambi=2 { CG2:20.428 } atom: 1182 104V-HA A 4.27 ambi=1 { CA:59.052 } ::sumAvg: 2.35 atom: 1182 104V-HA A 4.27 ambi=1 { CA:59.052 } atom: 1192 105P-HB2 B 2.255 ambi=2 { CB:32.197 } :: atom: 1182 104V-HA A 4.27 ambi=1 { CA:59.052 } atom: 1193 105P-HB3 B 1.843 ambi=2 { CB:32.197 } ::sumAvg: 4.955 atom: 1192 105P-HB2 B 2.255 ambi=2 { CB:32.197 } atom: 1182 104V-HA A 4.27 ambi=1 { CA:59.052 } :: atom: 1193 105P-HB3 B 1.843 ambi=2 { CB:32.197 } atom: 1182 104V-HA A 4.27 ambi=1 { CA:59.052 } ::sumAvg: 4.955 atom: 1182 104V-HA A 4.27 ambi=1 { CA:59.052 } atom: 1194 105P-QG G 1.978 ambi=2 { CG:27.341 } ::sumAvg: 3.87 atom: 1194 105P-QG G 1.978 ambi=2 { CG:27.341 } atom: 1182 104V-HA A 4.27 ambi=1 { CA:59.052 } ::sumAvg: 3.87 atom: 1182 104V-HA A 4.27 ambi=1 { CA:59.052 } atom: 1196 105P-HD2 D 3.7 ambi=2 { CD:51.051 } :: atom: 1182 104V-HA A 4.27 ambi=1 { CA:59.052 } atom: 1197 105P-HD3 D 3.857 ambi=2 { CD:51.051 } ::sumAvg: 2.095 atom: 1183 104V-HB B 1.967 ambi=1 { CB:34.548 } atom: 1196 105P-HD2 D 3.7 ambi=2 { CD:51.051 } :: atom: 1183 104V-HB B 1.967 ambi=1 { CB:34.548 } atom: 1197 105P-HD3 D 3.857 ambi=2 { CD:51.051 } ::sumAvg: 3.37 atom: 1194 105P-QG G 1.978 ambi=2 { CG:27.341 } atom: 1184 104V-HG1 G1 0.885 ambi=2 { CG1:20.957 } :: atom: 1194 105P-QG G 1.978 ambi=2 { CG:27.341 } atom: 1185 104V-HG2 G2 0.911 ambi=2 { CG2:20.428 } ::sumAvg: 4.14 atom: 1184 104V-HG1 G1 0.885 ambi=2 { CG1:20.957 } atom: 1196 105P-HD2 D 3.7 ambi=2 { CD:51.051 } :: atom: 1184 104V-HG1 G1 0.885 ambi=2 { CG1:20.957 } atom: 1197 105P-HD3 D 3.857 ambi=2 { CD:51.051 } :: atom: 1185 104V-HG2 G2 0.911 ambi=2 { CG2:20.428 } atom: 1196 105P-HD2 D 3.7 ambi=2 { CD:51.051 } :: atom: 1185 104V-HG2 G2 0.911 ambi=2 { CG2:20.428 } atom: 1197 105P-HD3 D 3.857 ambi=2 { CD:51.051 } ::sumAvg: 2.91 atom: 1184 104V-HG1 G1 0.885 ambi=2 { CG1:20.957 } atom: 1203 106N-H N 8.472 ambi=1 { N:118.499 } :: atom: 1185 104V-HG2 G2 0.911 ambi=2 { CG2:20.428 } atom: 1203 106N-H N 8.472 ambi=1 { N:118.499 } ::sumAvg: 4.18 atom: 1184 104V-HG1 G1 0.885 ambi=2 { CG1:20.957 } atom: 1205 106N-HB2 B 2.801 ambi=2 { CB:38.659 } :: atom: 1184 104V-HG1 G1 0.885 ambi=2 { CG1:20.957 } atom: 1206 106N-HB3 B 2.767 ambi=2 { CB:38.659 } :: atom: 1185 104V-HG2 G2 0.911 ambi=2 { CG2:20.428 } atom: 1205 106N-HB2 B 2.801 ambi=2 { CB:38.659 } :: atom: 1185 104V-HG2 G2 0.911 ambi=2 { CG2:20.428 } atom: 1206 106N-HB3 B 2.767 ambi=2 { CB:38.659 } ::sumAvg: 4.73 atom: 1205 106N-HB2 B 2.801 ambi=2 { CB:38.659 } atom: 1184 104V-HG1 G1 0.885 ambi=2 { CG1:20.957 } :: atom: 1206 106N-HB3 B 2.767 ambi=2 { CB:38.659 } atom: 1184 104V-HG1 G1 0.885 ambi=2 { CG1:20.957 } :: atom: 1205 106N-HB2 B 2.801 ambi=2 { CB:38.659 } atom: 1185 104V-HG2 G2 0.911 ambi=2 { CG2:20.428 } :: atom: 1206 106N-HB3 B 2.767 ambi=2 { CB:38.659 } atom: 1185 104V-HG2 G2 0.911 ambi=2 { CG2:20.428 } ::sumAvg: 4.73 atom: 1184 104V-HG1 G1 0.885 ambi=2 { CG1:20.957 } atom: 1207 106N-HD21 D2 7.616 ambi=2 { ND2:112.852 } :: atom: 1184 104V-HG1 G1 0.885 ambi=2 { CG1:20.957 } atom: 1208 106N-HD22 D2 6.946 ambi=2 { ND2:112.852 } :: atom: 1185 104V-HG2 G2 0.911 ambi=2 { CG2:20.428 } atom: 1207 106N-HD21 D2 7.616 ambi=2 { ND2:112.852 } :: atom: 1185 104V-HG2 G2 0.911 ambi=2 { CG2:20.428 } atom: 1208 106N-HD22 D2 6.946 ambi=2 { ND2:112.852 } ::sumAvg: 4.955 atom: 1191 105P-HA A 4.367 ambi=1 { CA:63.346 } atom: 1205 106N-HB2 B 2.801 ambi=2 { CB:38.659 } :: atom: 1191 105P-HA A 4.367 ambi=1 { CA:63.346 } atom: 1206 106N-HB3 B 2.767 ambi=2 { CB:38.659 } ::sumAvg: 4.815 atom: 1205 106N-HB2 B 2.801 ambi=2 { CB:38.659 } atom: 1191 105P-HA A 4.367 ambi=1 { CA:63.346 } :: atom: 1206 106N-HB3 B 2.767 ambi=2 { CB:38.659 } atom: 1191 105P-HA A 4.367 ambi=1 { CA:63.346 } ::sumAvg: 4.815 atom: 1192 105P-HB2 B 2.255 ambi=2 { CB:32.197 } atom: 1204 106N-HA A 4.641 ambi=1 { CA:53.296 } :: atom: 1193 105P-HB3 B 1.843 ambi=2 { CB:32.197 } atom: 1204 106N-HA A 4.641 ambi=1 { CA:53.296 } ::sumAvg: 4.78 atom: 1204 106N-HA A 4.641 ambi=1 { CA:53.296 } atom: 1192 105P-HB2 B 2.255 ambi=2 { CB:32.197 } :: atom: 1204 106N-HA A 4.641 ambi=1 { CA:53.296 } atom: 1193 105P-HB3 B 1.843 ambi=2 { CB:32.197 } ::sumAvg: 4.78 atom: 1192 105P-HB2 B 2.255 ambi=2 { CB:32.197 } atom: 1214 107L-H N 8.258 ambi=1 { N:122.932 } :: atom: 1193 105P-HB3 B 1.843 ambi=2 { CB:32.197 } atom: 1214 107L-H N 8.258 ambi=1 { N:122.932 } ::sumAvg: 4.62 atom: 1219 107L-HD1 D1 0.889 ambi=2 { CD1:24.961 } atom: 1203 106N-H N 8.472 ambi=1 { N:118.499 } :: atom: 1220 107L-HD2 D2 0.823 ambi=2 { CD2:23.392 } atom: 1203 106N-H N 8.472 ambi=1 { N:118.499 } ::sumAvg: 4.64 atom: 1204 106N-HA A 4.641 ambi=1 { CA:53.296 } atom: 1207 106N-HD21 D2 7.616 ambi=2 { ND2:112.852 } :: atom: 1204 106N-HA A 4.641 ambi=1 { CA:53.296 } atom: 1208 106N-HD22 D2 6.946 ambi=2 { ND2:112.852 } ::sumAvg: 3.145 atom: 1204 106N-HA A 4.641 ambi=1 { CA:53.296 } atom: 1216 107L-QB B 1.557 ambi=2 { CB:42.345 } ::sumAvg: 4.515 atom: 1216 107L-QB B 1.557 ambi=2 { CB:42.345 } atom: 1204 106N-HA A 4.641 ambi=1 { CA:53.296 } ::sumAvg: 4.515 atom: 1219 107L-HD1 D1 0.889 ambi=2 { CD1:24.961 } atom: 1204 106N-HA A 4.641 ambi=1 { CA:53.296 } :: atom: 1220 107L-HD2 D2 0.823 ambi=2 { CD2:23.392 } atom: 1204 106N-HA A 4.641 ambi=1 { CA:53.296 } ::sumAvg: 4.305 atom: 1204 106N-HA A 4.641 ambi=1 { CA:53.296 } atom: 1228 108E-H N 8.321 ambi=1 { N:120.766 } ::sumAvg: 4.82 atom: 1219 107L-HD1 D1 0.889 ambi=2 { CD1:24.961 } atom: 1214 107L-H N 8.258 ambi=1 { N:122.932 } :: atom: 1220 107L-HD2 D2 0.823 ambi=2 { CD2:23.392 } atom: 1214 107L-H N 8.258 ambi=1 { N:122.932 } ::sumAvg: 3.01 atom: 1215 107L-HA A 4.284 ambi=1 { CA:55.279 } atom: 1230 108E-QB B 1.879 ambi=2 { CB:30.076 } ::sumAvg: 4.71 atom: 1230 108E-QB B 1.879 ambi=2 { CB:30.076 } atom: 1215 107L-HA A 4.284 ambi=1 { CA:55.279 } ::sumAvg: 4.71 atom: 1216 107L-QB B 1.557 ambi=2 { CB:42.345 } atom: 1229 108E-HA A 4.152 ambi=1 { CA:56.797 } ::sumAvg: 4.49 atom: 1229 108E-HA A 4.152 ambi=1 { CA:56.797 } atom: 1216 107L-QB B 1.557 ambi=2 { CB:42.345 } ::sumAvg: 4.49 atom: 1218 107L-HG G 1.571 ambi=1 { CG:26.966 } atom: 1228 108E-H N 8.321 ambi=1 { N:120.766 } ::sumAvg: 4.23 atom: 1229 108E-HA A 4.152 ambi=1 { CA:56.797 } atom: 1219 107L-HD1 D1 0.889 ambi=2 { CD1:24.961 } :: atom: 1229 108E-HA A 4.152 ambi=1 { CA:56.797 } atom: 1220 107L-HD2 D2 0.823 ambi=2 { CD2:23.392 } ::sumAvg: 4.865 atom: 1232 108E-HG2 G 2.201 ambi=2 { CG:36.249 } atom: 1219 107L-HD1 D1 0.889 ambi=2 { CD1:24.961 } :: atom: 1233 108E-HG3 G 2.124 ambi=2 { CG:36.249 } atom: 1219 107L-HD1 D1 0.889 ambi=2 { CD1:24.961 } :: atom: 1232 108E-HG2 G 2.201 ambi=2 { CG:36.249 } atom: 1220 107L-HD2 D2 0.823 ambi=2 { CD2:23.392 } :: atom: 1233 108E-HG3 G 2.124 ambi=2 { CG:36.249 } atom: 1220 107L-HD2 D2 0.823 ambi=2 { CD2:23.392 } ::sumAvg: 4.575 atom: 1229 108E-HA A 4.152 ambi=1 { CA:56.797 } atom: 1240 109H-HA A 4.569 ambi=1 { CA:56.018 } ::sumAvg: 4.455 atom: 1240 109H-HA A 4.569 ambi=1 { CA:56.018 } atom: 1229 108E-HA A 4.152 ambi=1 { CA:56.797 } ::sumAvg: 4.455 atom: 1229 108E-HA A 4.152 ambi=1 { CA:56.797 } atom: 1241 109H-QB B 3.051 ambi=2 { CB:30.094 } ::sumAvg: 4.33 atom: 1241 109H-QB B 3.051 ambi=2 { CB:30.094 } atom: 1229 108E-HA A 4.152 ambi=1 { CA:56.797 } ::sumAvg: 4.33 atom: 1230 108E-QB B 1.879 ambi=2 { CB:30.076 } atom: 1239 109H-H N 8.23 ambi=1 { N:119.324 } ::sumAvg: 2.855 atom: 1230 108E-QB B 1.879 ambi=2 { CB:30.076 } atom: 1240 109H-HA A 4.569 ambi=1 { CA:56.018 } ::sumAvg: 4.43 atom: 1240 109H-HA A 4.569 ambi=1 { CA:56.018 } atom: 1230 108E-QB B 1.879 ambi=2 { CB:30.076 } ::sumAvg: 4.43 atom: 1230 108E-QB B 1.879 ambi=2 { CB:30.076 } atom: 1241 109H-QB B 3.051 ambi=2 { CB:30.094 } ::sumAvg: 4.63 atom: 1241 109H-QB B 3.051 ambi=2 { CB:30.094 } atom: 1230 108E-QB B 1.879 ambi=2 { CB:30.076 } ::sumAvg: 4.63 atom: 1230 108E-QB B 1.879 ambi=2 { CB:30.076 } atom: 1246 110H-H N 8.133 ambi=1 { N:125.416 } ::sumAvg: 4.345 atom: 1232 108E-HG2 G 2.201 ambi=2 { CG:36.249 } atom: 1239 109H-H N 8.23 ambi=1 { N:119.324 } :: atom: 1233 108E-HG3 G 2.124 ambi=2 { CG:36.249 } atom: 1239 109H-H N 8.23 ambi=1 { N:119.324 } ::sumAvg: 3.875 atom: 1240 109H-HA A 4.569 ambi=1 { CA:56.018 } atom: 1239 109H-H N 8.23 ambi=1 { N:119.324 } ::sumAvg: 2.845 atom: 1241 109H-QB B 3.051 ambi=2 { CB:30.094 } atom: 1239 109H-H N 8.23 ambi=1 { N:119.324 } ::sumAvg: 2.79 atom: 1247 110H-HA A 4.424 ambi=1 { CA:57.293 } atom: 1239 109H-H N 8.23 ambi=1 { N:119.324 } ::sumAvg: 4.975 atom: 1240 109H-HA A 4.569 ambi=1 { CA:56.018 } atom: 1246 110H-H N 8.133 ambi=1 { N:125.416 } ::sumAvg: 2.785 atom: 1241 109H-QB B 3.051 ambi=2 { CB:30.094 } atom: 1246 110H-H N 8.133 ambi=1 { N:125.416 } ::sumAvg: 3.175 atom: 1247 110H-HA A 4.424 ambi=1 { CA:57.293 } atom: 1246 110H-H N 8.133 ambi=1 { N:125.416 } ::sumAvg: 2.84 atom: 1248 110H-HB2 B 3.194 ambi=2 { CB:30.284 } atom: 1246 110H-H N 8.133 ambi=1 { N:125.416 } :: atom: 1249 110H-HB3 B 3.067 ambi=2 { CB:30.284 } atom: 1246 110H-H N 8.133 ambi=1 { N:125.416 } ::sumAvg: 2.775 # Missing interactons for c_aro.peaks atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } atom: 106 12I-HB B 2.011 ambi=1 { CB:38.824 } ::sumAvg: 4.535 atom: 961 85F-QD D 7.23 ambi=3 { CD1:131.922 } atom: 118 13S-H N 9.694 ambi=1 { N:123.583 } ::sumAvg: 4.2 atom: 961 85F-QD D 7.23 ambi=3 { CD1:131.922 } atom: 120 13S-HB2 B 3.679 ambi=2 { CB:66.255 } :: atom: 961 85F-QD D 7.23 ambi=3 { CD1:131.922 } atom: 121 13S-HB3 B 3.475 ambi=2 { CB:66.255 } ::sumAvg: 3.555 atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } atom: 203 20R-HG2 G 1.416 ambi=2 { CG:27.325 } :: atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } atom: 204 20R-HG3 G 1.333 ambi=2 { CG:27.325 } ::sumAvg: 4.485 atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } atom: 228 22I-HB B 1.716 ambi=1 { CB:41.771 } ::sumAvg: 4.52 atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } atom: 228 22I-HB B 1.716 ambi=1 { CB:41.771 } ::sumAvg: 4.755 atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } atom: 229 22I-HG12 G1 1.303 ambi=2 { CG1:27.189 } :: atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } atom: 230 22I-HG13 G1 0.945 ambi=2 { CG1:27.189 } ::sumAvg: 4.38 atom: 285 27H-HE1 E1 7.981 ambi=1 { CE1:134.53 } atom: 282 27H-HB2 B 3.493 ambi=2 { CB:27.172 } :: atom: 285 27H-HE1 E1 7.981 ambi=1 { CE1:134.53 } atom: 283 27H-HB3 B 3.355 ambi=2 { CB:27.172 } ::sumAvg: 4.77 atom: 284 27H-HD2 D2 7.527 ambi=1 { CD2:121.194 } atom: 285 27H-HE1 E1 7.981 ambi=1 { CE1:134.53 } ::sumAvg: 4.235 atom: 285 27H-HE1 E1 7.981 ambi=1 { CE1:134.53 } atom: 284 27H-HD2 D2 7.527 ambi=1 { CD2:121.194 } ::sumAvg: 4.235 atom: 284 27H-HD2 D2 7.527 ambi=1 { CD2:121.194 } atom: 328 31E-QB B 2.164 ambi=2 { CB:34.037 } ::sumAvg: 4.56 atom: 285 27H-HE1 E1 7.981 ambi=1 { CE1:134.53 } atom: 310 29G-HA2 A 4.058 ambi=2 { CA:44.45 } :: atom: 285 27H-HE1 E1 7.981 ambi=1 { CE1:134.53 } atom: 311 29G-HA3 A 3.777 ambi=2 { CA:44.45 } ::sumAvg: 4.835 atom: 285 27H-HE1 E1 7.981 ambi=1 { CE1:134.53 } atom: 315 30N-H N 8.532 ambi=1 { N:120.207 } ::sumAvg: 4.625 atom: 285 27H-HE1 E1 7.981 ambi=1 { CE1:134.53 } atom: 327 31E-HA A 4.896 ambi=1 { CA:55.488 } ::sumAvg: 4.47 atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } atom: 319 30N-HD21 D2 9.236 ambi=2 { ND2:117.057 } :: atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } atom: 320 30N-HD22 D2 8.437 ambi=2 { ND2:117.057 } ::sumAvg: 4.155 atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } atom: 330 31E-HG2 G 2.396 ambi=2 { CG:36.975 } :: atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } atom: 331 31E-HG3 G 2.318 ambi=2 { CG:36.975 } ::sumAvg: 4.3 atom: 356 33F-QD D 6.881 ambi=3 { CD2:133.225 } atom: 337 32Q-H N 8.823 ambi=1 { N:122.567 } ::sumAvg: 4.495 atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } atom: 338 32Q-HA A 5.613 ambi=1 { CA:53.886 } ::sumAvg: 4.665 atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } atom: 351 33F-H N 8.318 ambi=1 { N:117.447 } ::sumAvg: 4.295 atom: 356 33F-QD D 6.881 ambi=3 { CD2:133.225 } atom: 379 35I-HA A 4.4 ambi=1 { CA:59.828 } ::sumAvg: 4.42 atom: 356 33F-QD D 6.881 ambi=3 { CD2:133.225 } atom: 500 45M-H N 9.007 ambi=1 { N:126.006 } ::sumAvg: 4.405 atom: 356 33F-QD D 6.881 ambi=3 { CD2:133.225 } atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } ::sumAvg: 4.695 atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } atom: 500 45M-H N 9.007 ambi=1 { N:126.006 } ::sumAvg: 4.85 atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } atom: 524 47V-H N 9.376 ambi=1 { N:127.144 } ::sumAvg: 4.55 atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } atom: 526 47V-HB B 1.903 ambi=1 { CB:32.807 } ::sumAvg: 4.5 atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } :: atom: 357 33F-QE E 6.88 ambi=3 { CE1:129.866 } atom: 577 52I-HG13 G1 0.714 ambi=2 { CG1:28.769 } ::sumAvg: 4.23 atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } atom: 576 52I-HG12 G1 1.798 ambi=2 { CG1:28.769 } :: atom: 359 33F-HZ Z 6.75 ambi=1 { CZ:127.991 } atom: 577 52I-HG13 G1 0.714 ambi=2 { CG1:28.769 } ::sumAvg: 4.94 atom: 463 42Y-QD D 6.932 ambi=3 { CD1:133.373 } atom: 393 36K-HA A 4.627 ambi=1 { CA:56.355 } ::sumAvg: 4.815 atom: 463 42Y-QD D 6.932 ambi=3 { CD1:133.373 } atom: 439 40A-HA A 4.399 ambi=1 { CA:51.658 } ::sumAvg: 4.265 atom: 463 42Y-QD D 6.932 ambi=3 { CD1:133.373 } atom: 445 41Q-H N 7.959 ambi=1 { N:120.54 } ::sumAvg: 4.895 atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } atom: 446 41Q-HA A 3.954 ambi=1 { CA:57.174 } ::sumAvg: 4.71 atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } atom: 447 41Q-HB2 B 0.116 ambi=2 { CB:28.718 } :: atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } atom: 448 41Q-HB3 B 1.654 ambi=2 { CB:28.718 } ::sumAvg: 3.055 atom: 465 42Y-QE E 6.629 ambi=3 { CE1:117.627 } atom: 459 42Y-H N 8.758 ambi=1 { N:121.537 } ::sumAvg: 4.13 atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } atom: 460 42Y-HA A 5.436 ambi=1 { CA:57.134 } ::sumAvg: 4.83 atom: 463 42Y-QD D 6.932 ambi=3 { CD1:133.373 } atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } ::sumAvg: 3.605 atom: 463 42Y-QD D 6.932 ambi=3 { CD1:133.373 } atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } ::sumAvg: 4.81 atom: 463 42Y-QD D 6.932 ambi=3 { CD1:133.373 } atom: 487 44L-HA A 4.76 ambi=1 { CA:55.196 } ::sumAvg: 4.045 atom: 463 42Y-QD D 6.932 ambi=3 { CD1:133.373 } atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } ::sumAvg: 4.895 atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } atom: 463 42Y-QD D 6.932 ambi=3 { CD1:133.373 } ::sumAvg: 4.895 atom: 465 42Y-QE E 6.629 ambi=3 { CE1:117.627 } atom: 476 43N-HA A 4.779 ambi=1 { CA:54.162 } ::sumAvg: 4.675 atom: 465 42Y-QE E 6.629 ambi=3 { CE1:117.627 } atom: 645 57D-H N 9.178 ambi=1 { N:121.386 } ::sumAvg: 4.92 atom: 465 42Y-QE E 6.629 ambi=3 { CE1:117.627 } atom: 654 58N-HA A 5.056 ambi=1 { CA:50.539 } ::sumAvg: 4.615 atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } atom: 477 43N-QB B 2.369 ambi=2 { CB:42.431 } ::sumAvg: 4.71 atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } atom: 535 48D-H N 8.62 ambi=1 { N:127.406 } ::sumAvg: 4.23 atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } ::sumAvg: 4.585 atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } atom: 536 48D-HA A 5.617 ambi=1 { CA:53.191 } ::sumAvg: 4.895 atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } atom: 537 48D-HB2 B 2.416 ambi=2 { CB:46.076 } :: atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } atom: 538 48D-HB3 B 2.521 ambi=2 { CB:46.076 } ::sumAvg: 4.255 atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } atom: 557 51R-H N 7.637 ambi=1 { N:115.764 } ::sumAvg: 4.925 atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } atom: 558 51R-HA A 5.249 ambi=1 { CA:54.189 } ::sumAvg: 4.6 atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } :: atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } ::sumAvg: 2.69 atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } atom: 561 51R-HG2 G 1.591 ambi=2 { CG:25.829 } :: atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } atom: 562 51R-HG3 G 1.357 ambi=2 { CG:25.829 } ::sumAvg: 4.64 atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } atom: 563 51R-HD2 D 2.8 ambi=2 { CD:43.953 } :: atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } atom: 564 51R-HD3 D 2.304 ambi=2 { CD:43.953 } ::sumAvg: 2.99 atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } atom: 563 51R-HD2 D 2.8 ambi=2 { CD:43.953 } :: atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } atom: 564 51R-HD3 D 2.304 ambi=2 { CD:43.953 } ::sumAvg: 4.115 atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } atom: 565 51R-HE E 5.805 ambi=1 { NE:82.547 } ::sumAvg: 4.63 atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } atom: 565 51R-HE E 5.805 ambi=1 { NE:82.547 } ::sumAvg: 4.88 atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } atom: 573 52I-H N 9.035 ambi=1 { N:117.705 } ::sumAvg: 4.8 atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } atom: 574 52I-HA A 6.004 ambi=1 { CA:58.182 } ::sumAvg: 3.595 atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } atom: 587 53R-H N 8.824 ambi=1 { N:120.372 } ::sumAvg: 4.165 atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } atom: 589 53R-HB2 B 1.074 ambi=2 { CB:33.547 } :: atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } atom: 590 53R-HB3 B 0.762 ambi=2 { CB:33.547 } ::sumAvg: 4.555 atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } :: atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } ::sumAvg: 3.905 atom: 774 69W-HZ2 Z2 7.285 ambi=1 { CZ2:114.338 } atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } :: atom: 774 69W-HZ2 Z2 7.285 ambi=1 { CZ2:114.338 } atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } ::sumAvg: 4.54 atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } :: atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } ::sumAvg: 4.185 atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } atom: 591 53R-HG2 G 0.293 ambi=2 { CG:24.428 } :: atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } atom: 592 53R-HG3 G 0.224 ambi=2 { CG:24.428 } ::sumAvg: 4.47 atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } :: atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } ::sumAvg: 4.44 atom: 774 69W-HZ2 Z2 7.285 ambi=1 { CZ2:114.338 } atom: 593 53R-HD2 D 0.103 ambi=2 { CD:42.619 } :: atom: 774 69W-HZ2 Z2 7.285 ambi=1 { CZ2:114.338 } atom: 594 53R-HD3 D 2.127 ambi=2 { CD:42.619 } ::sumAvg: 4.085 atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } atom: 595 53R-HE E 6.129 ambi=1 { NE:84.563 } ::sumAvg: 4.26 atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } atom: 595 53R-HE E 6.129 ambi=1 { NE:84.563 } ::sumAvg: 3.32 atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } atom: 654 58N-HA A 5.056 ambi=1 { CA:50.539 } ::sumAvg: 4.385 atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } atom: 665 59S-HA A 4.305 ambi=1 { CA:58.255 } ::sumAvg: 4.19 atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } atom: 666 59S-HB2 B 3.564 ambi=2 { CB:61.843 } :: atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } atom: 667 59S-HB3 B 2.851 ambi=2 { CB:61.843 } ::sumAvg: 4.015 atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } atom: 676 60P-HD2 D 3.497 ambi=2 { CD:50.337 } :: atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } atom: 677 60P-HD3 D 4.003 ambi=2 { CD:50.337 } ::sumAvg: 4.79 atom: 771 69W-HD1 D1 7.339 ambi=1 { CD1:128.741 } atom: 762 68G-HA2 A 3.944 ambi=2 { CA:45.301 } :: atom: 771 69W-HD1 D1 7.339 ambi=1 { CD1:128.741 } atom: 763 68G-HA3 A 3.633 ambi=2 { CA:45.301 } ::sumAvg: 4.22 atom: 771 69W-HD1 D1 7.339 ambi=1 { CD1:128.741 } atom: 768 69W-HA A 4.731 ambi=1 { CA:56.905 } ::sumAvg: 4.31 atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } atom: 772 69W-HE1 E1 10.118 ambi=1 { NE1:129.804 } ::sumAvg: 4.96 atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } atom: 787 70K-H N 9.682 ambi=1 { N:120.763 } ::sumAvg: 3.76 atom: 775 69W-HZ3 Z3 6.82 ambi=1 { CZ3:121.872 } atom: 774 69W-HZ2 Z2 7.285 ambi=1 { CZ2:114.338 } ::sumAvg: 4.265 atom: 776 69W-HH2 H2 6.773 ambi=1 { CH2:124.483 } atom: 773 69W-HE3 E3 7.209 ambi=1 { CE3:120.378 } ::sumAvg: 4.265 atom: 963 85F-QE E 7.223 ambi=3 { CE1:131.237 } atom: 851 76T-HA A 5.28 ambi=1 { CA:59.046 } ::sumAvg: 4.98 atom: 961 85F-QD D 7.23 ambi=3 { CD1:131.922 } atom: 859 77I-H N 8.483 ambi=1 { N:116.638 } ::sumAvg: 4.895 atom: 963 85F-QE E 7.223 ambi=3 { CE1:131.237 } atom: 859 77I-H N 8.483 ambi=1 { N:116.638 } ::sumAvg: 4.755 atom: 963 85F-QE E 7.223 ambi=3 { CE1:131.237 } atom: 874 78V-HA A 4.574 ambi=1 { CA:60.655 } ::sumAvg: 4.39 atom: 961 85F-QD D 7.23 ambi=3 { CD1:131.922 } atom: 884 79C-H N 8.414 ambi=1 { N:124.524 } ::sumAvg: 4.38 atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } atom: 886 79C-QB B 2.447 ambi=2 { CB:26.485 } ::sumAvg: 4.67 atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } atom: 910 81P-QD D 3.957 ambi=2 { CD:51.601 } ::sumAvg: 4.25 atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } ::sumAvg: 4.235 atom: 922 82H-HE1 E1 8.099 ambi=1 { CE1:139.543 } atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } ::sumAvg: 4.235 atom: 921 82H-HD2 D2 6.356 ambi=1 { CD2:124.831 } atom: 929 83K-H N 8.435 ambi=1 { N:116.99 } ::sumAvg: 4.865 atom: 963 85F-QE E 7.223 ambi=3 { CE1:131.237 } atom: 958 85F-HA A 5.184 ambi=1 { CA:56.215 } ::sumAvg: 4.63 atom: 963 85F-QE E 7.223 ambi=3 { CE1:131.237 } atom: 959 85F-HB2 B 2.967 ambi=2 { CB:43.499 } :: atom: 963 85F-QE E 7.223 ambi=3 { CE1:131.237 } atom: 960 85F-HB3 B 2.915 ambi=2 { CB:43.499 } ::sumAvg: 4.395 atom: 961 85F-QD D 7.23 ambi=3 { CD1:131.922 } atom: 976 86V-HA A 4.883 ambi=1 { CA:60.132 } ::sumAvg: 4.15 atom: 961 85F-QD D 7.23 ambi=3 { CD1:131.922 } atom: 978 86V-HG1 G1 0.617 ambi=2 { CG1:20.486 } :: atom: 961 85F-QD D 7.23 ambi=3 { CD1:131.922 } atom: 979 86V-HG2 G2 0.679 ambi=2 { CG2:20.698 } ::sumAvg: 4.98 atom: 961 85F-QD D 7.23 ambi=3 { CD1:131.922 } atom: 986 87E-H N 8.687 ambi=1 { N:125.169 } ::sumAvg: 4.26 atom: 963 85F-QE E 7.223 ambi=3 { CE1:131.237 } atom: 975 86V-H N 8.89 ambi=1 { N:125.549 } ::sumAvg: 4.53 atom: 963 85F-QE E 7.223 ambi=3 { CE1:131.237 } atom: 986 87E-H N 8.687 ambi=1 { N:125.169 } ::sumAvg: 4.435 atom: 963 85F-QE E 7.223 ambi=3 { CE1:131.237 } atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } ::sumAvg: 4.285 atom: 965 85F-HZ Z 7.263 ambi=1 { CZ:129.74 } atom: 987 87E-HA A 4.76 ambi=1 { CA:54.245 } ::sumAvg: 4.99