# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for c_aro.peaks atom: 430 37Y-QE E 6.763 ambi=3 { CE1:118.294 } atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } ::sumAvg: 4.455 atom: 428 37Y-QD D 7.026 ambi=3 { CD1:132.917 } atom: 66 7I-HA A 3.615 ambi=1 { CA:64.351 } ::sumAvg: 4.605 atom: 428 37Y-QD D 7.026 ambi=3 { CD1:132.917 } atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } ::sumAvg: 4.715 atom: 430 37Y-QE E 6.763 ambi=3 { CE1:118.294 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } ::sumAvg: 4.46 atom: 428 37Y-QD D 7.026 ambi=3 { CD1:132.917 } atom: 385 34R-HA A 4.009 ambi=1 { CA:59.839 } ::sumAvg: 4.04 atom: 428 37Y-QD D 7.026 ambi=3 { CD1:132.917 } atom: 386 34R-HB2 B 1.961 ambi=2 { CB:29.772 } :: atom: 428 37Y-QD D 7.026 ambi=3 { CD1:132.917 } atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } ::sumAvg: 4.79 atom: 430 37Y-QE E 6.763 ambi=3 { CE1:118.294 } atom: 425 37Y-HA A 4.164 ambi=1 { CA:60.59 } ::sumAvg: 4.64 atom: 430 37Y-QE E 6.763 ambi=3 { CE1:118.294 } atom: 441 38L-HA A 4.072 ambi=1 { CA:57.053 } ::sumAvg: 4.915 atom: 430 37Y-QE E 6.763 ambi=3 { CE1:118.294 } atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } ::sumAvg: 4.725 atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } atom: 430 37Y-QE E 6.763 ambi=3 { CE1:118.294 } ::sumAvg: 4.725 atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } atom: 442 38L-HB2 B 1.868 ambi=2 { CB:42.02 } :: atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } atom: 443 38L-HB3 B 1.585 ambi=2 { CB:42.02 } ::sumAvg: 4.69 atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } atom: 477 41F-H N 7.859 ambi=1 { N:120.317 } ::sumAvg: 3.3 atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } atom: 495 42R-H N 8.044 ambi=1 { N:121.581 } ::sumAvg: 3.665 atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } atom: 496 42R-HA A 4.269 ambi=1 { CA:56.505 } ::sumAvg: 4.69 atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } atom: 497 42R-HB2 B 1.85 ambi=2 { CB:30.801 } :: atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } atom: 498 42R-HB3 B 1.763 ambi=2 { CB:30.801 } ::sumAvg: 4.815 atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } atom: 499 42R-HG2 G 1.618 ambi=2 { CG:27.282 } :: atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } atom: 500 42R-HG3 G 1.589 ambi=2 { CG:27.282 } ::sumAvg: 3.96 atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } atom: 509 43S-H N 8.218 ambi=1 { N:116.338 } ::sumAvg: 4.625 atom: 483 41F-QE E 7.186 ambi=3 { CE1:131.422 } atom: 495 42R-H N 8.044 ambi=1 { N:121.581 } ::sumAvg: 4.985 # Missing interactons for c_ali.peaks atom: 4 1M-QG G 2.644 ambi=2 { CG:31.122 } atom: 9 2I-HA A 4.35 ambi=1 { CA:61.095 } ::sumAvg: 4.94 atom: 9 2I-HA A 4.35 ambi=1 { CA:61.095 } atom: 4 1M-QG G 2.644 ambi=2 { CG:31.122 } ::sumAvg: 4.94 atom: 4 1M-QG G 2.644 ambi=2 { CG:31.122 } atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } ::sumAvg: 4.265 atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } atom: 4 1M-QG G 2.644 ambi=2 { CG:31.122 } ::sumAvg: 4.265 atom: 11 2I-HG12 G1 1.571 ambi=2 { CG1:27.221 } atom: 21 3S-H N 8.112 ambi=1 { N:119.28 } :: atom: 12 2I-HG13 G1 1.347 ambi=2 { CG1:27.221 } atom: 21 3S-H N 8.112 ambi=1 { N:119.28 } ::sumAvg: 2.61 atom: 11 2I-HG12 G1 1.571 ambi=2 { CG1:27.221 } atom: 22 3S-HA A 4.414 ambi=1 { CA:57.714 } :: atom: 12 2I-HG13 G1 1.347 ambi=2 { CG1:27.221 } atom: 22 3S-HA A 4.414 ambi=1 { CA:57.714 } ::sumAvg: 4.12 atom: 22 3S-HA A 4.414 ambi=1 { CA:57.714 } atom: 11 2I-HG12 G1 1.571 ambi=2 { CG1:27.221 } :: atom: 22 3S-HA A 4.414 ambi=1 { CA:57.714 } atom: 12 2I-HG13 G1 1.347 ambi=2 { CG1:27.221 } ::sumAvg: 4.12 atom: 11 2I-HG12 G1 1.571 ambi=2 { CG1:27.221 } atom: 30 4N-HA A 4.511 ambi=1 { CA:55.617 } :: atom: 12 2I-HG13 G1 1.347 ambi=2 { CG1:27.221 } atom: 30 4N-HA A 4.511 ambi=1 { CA:55.617 } ::sumAvg: 4.745 atom: 11 2I-HG12 G1 1.571 ambi=2 { CG1:27.221 } atom: 48 6K-H N 7.844 ambi=1 { N:119.908 } :: atom: 12 2I-HG13 G1 1.347 ambi=2 { CG1:27.221 } atom: 48 6K-H N 7.844 ambi=1 { N:119.908 } ::sumAvg: 4.405 atom: 11 2I-HG12 G1 1.571 ambi=2 { CG1:27.221 } atom: 66 7I-HA A 3.615 ambi=1 { CA:64.351 } :: atom: 12 2I-HG13 G1 1.347 ambi=2 { CG1:27.221 } atom: 66 7I-HA A 3.615 ambi=1 { CA:64.351 } ::sumAvg: 4.415 atom: 66 7I-HA A 3.615 ambi=1 { CA:64.351 } atom: 11 2I-HG12 G1 1.571 ambi=2 { CG1:27.221 } :: atom: 66 7I-HA A 3.615 ambi=1 { CA:64.351 } atom: 12 2I-HG13 G1 1.347 ambi=2 { CG1:27.221 } ::sumAvg: 4.415 atom: 67 7I-HB B 1.928 ambi=1 { CB:37.623 } atom: 12 2I-HG13 G1 1.347 ambi=2 { CG1:27.221 } ::sumAvg: 4.84 atom: 11 2I-HG12 G1 1.571 ambi=2 { CG1:27.221 } atom: 65 7I-H N 7.887 ambi=1 { N:120.487 } :: atom: 12 2I-HG13 G1 1.347 ambi=2 { CG1:27.221 } atom: 65 7I-H N 7.887 ambi=1 { N:120.487 } ::sumAvg: 3.37 atom: 11 2I-HG12 G1 1.571 ambi=2 { CG1:27.221 } atom: 69 7I-HG13 G1 1.102 ambi=2 { CG1:28.999 } ::sumAvg: 2.435 atom: 69 7I-HG13 G1 1.102 ambi=2 { CG1:28.999 } atom: 11 2I-HG12 G1 1.571 ambi=2 { CG1:27.221 } ::sumAvg: 2.435 atom: 70 7I-HG2 G2 0.896 ambi=1 { CG2:17.205 } atom: 11 2I-HG12 G1 1.571 ambi=2 { CG1:27.221 } :: atom: 70 7I-HG2 G2 0.896 ambi=1 { CG2:17.205 } atom: 12 2I-HG13 G1 1.347 ambi=2 { CG1:27.221 } ::sumAvg: 4.95 atom: 71 7I-HD1 D1 0.863 ambi=1 { CD1:12.617 } atom: 11 2I-HG12 G1 1.571 ambi=2 { CG1:27.221 } :: atom: 71 7I-HD1 D1 0.863 ambi=1 { CD1:12.617 } atom: 12 2I-HG13 G1 1.347 ambi=2 { CG1:27.221 } ::sumAvg: 3.305 atom: 11 2I-HG12 G1 1.571 ambi=2 { CG1:27.221 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } :: atom: 12 2I-HG13 G1 1.347 ambi=2 { CG1:27.221 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } ::sumAvg: 4.22 atom: 11 2I-HG12 G1 1.571 ambi=2 { CG1:27.221 } atom: 415 36E-HB2 B 2.172 ambi=2 { CB:29.75 } :: atom: 11 2I-HG12 G1 1.571 ambi=2 { CG1:27.221 } atom: 416 36E-HB3 B 2.1 ambi=2 { CB:29.75 } :: atom: 12 2I-HG13 G1 1.347 ambi=2 { CG1:27.221 } atom: 415 36E-HB2 B 2.172 ambi=2 { CB:29.75 } :: atom: 12 2I-HG13 G1 1.347 ambi=2 { CG1:27.221 } atom: 416 36E-HB3 B 2.1 ambi=2 { CB:29.75 } ::sumAvg: 3.585 atom: 11 2I-HG12 G1 1.571 ambi=2 { CG1:27.221 } atom: 417 36E-HG2 G 2.449 ambi=2 { CG:36.473 } :: atom: 11 2I-HG12 G1 1.571 ambi=2 { CG1:27.221 } atom: 418 36E-HG3 G 2.186 ambi=2 { CG:36.473 } :: atom: 12 2I-HG13 G1 1.347 ambi=2 { CG1:27.221 } atom: 417 36E-HG2 G 2.449 ambi=2 { CG:36.473 } :: atom: 12 2I-HG13 G1 1.347 ambi=2 { CG1:27.221 } atom: 418 36E-HG3 G 2.186 ambi=2 { CG:36.473 } ::sumAvg: 4.94 atom: 11 2I-HG12 G1 1.571 ambi=2 { CG1:27.221 } atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } :: atom: 11 2I-HG12 G1 1.571 ambi=2 { CG1:27.221 } atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } :: atom: 12 2I-HG13 G1 1.347 ambi=2 { CG1:27.221 } atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } :: atom: 12 2I-HG13 G1 1.347 ambi=2 { CG1:27.221 } atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } ::sumAvg: 4.17 atom: 1 1M-HA A 4.052 ambi=1 { CA:55.026 } atom: 10 2I-HB B 1.918 ambi=1 { CB:39.193 } ::sumAvg: 4.935 atom: 10 2I-HB B 1.918 ambi=1 { CB:39.193 } atom: 1 1M-HA A 4.052 ambi=1 { CA:55.026 } ::sumAvg: 4.935 atom: 1 1M-HA A 4.052 ambi=1 { CA:55.026 } atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } ::sumAvg: 4.075 atom: 2 1M-QB B 2.093 ambi=2 { CB:33.405 } atom: 9 2I-HA A 4.35 ambi=1 { CA:61.095 } ::sumAvg: 4.525 atom: 9 2I-HA A 4.35 ambi=1 { CA:61.095 } atom: 2 1M-QB B 2.093 ambi=2 { CB:33.405 } ::sumAvg: 4.525 atom: 2 1M-QB B 2.093 ambi=2 { CB:33.405 } atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } ::sumAvg: 4 atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } atom: 2 1M-QB B 2.093 ambi=2 { CB:33.405 } ::sumAvg: 4 atom: 9 2I-HA A 4.35 ambi=1 { CA:61.095 } atom: 50 6K-HB2 B 2 ambi=2 { CB:32.639 } :: atom: 9 2I-HA A 4.35 ambi=1 { CA:61.095 } atom: 51 6K-HB3 B 1.717 ambi=2 { CB:32.639 } ::sumAvg: 3.735 atom: 50 6K-HB2 B 2 ambi=2 { CB:32.639 } atom: 9 2I-HA A 4.35 ambi=1 { CA:61.095 } :: atom: 51 6K-HB3 B 1.717 ambi=2 { CB:32.639 } atom: 9 2I-HA A 4.35 ambi=1 { CA:61.095 } ::sumAvg: 3.735 atom: 9 2I-HA A 4.35 ambi=1 { CA:61.095 } atom: 54 6K-HD2 D 1.731 ambi=2 { CD:29.35 } :: atom: 9 2I-HA A 4.35 ambi=1 { CA:61.095 } atom: 55 6K-HD3 D 1.678 ambi=2 { CD:29.35 } ::sumAvg: 2.585 atom: 9 2I-HA A 4.35 ambi=1 { CA:61.095 } atom: 415 36E-HB2 B 2.172 ambi=2 { CB:29.75 } :: atom: 9 2I-HA A 4.35 ambi=1 { CA:61.095 } atom: 416 36E-HB3 B 2.1 ambi=2 { CB:29.75 } ::sumAvg: 3.33 atom: 415 36E-HB2 B 2.172 ambi=2 { CB:29.75 } atom: 9 2I-HA A 4.35 ambi=1 { CA:61.095 } :: atom: 416 36E-HB3 B 2.1 ambi=2 { CB:29.75 } atom: 9 2I-HA A 4.35 ambi=1 { CA:61.095 } ::sumAvg: 3.33 atom: 417 36E-HG2 G 2.449 ambi=2 { CG:36.473 } atom: 9 2I-HA A 4.35 ambi=1 { CA:61.095 } :: atom: 418 36E-HG3 G 2.186 ambi=2 { CG:36.473 } atom: 9 2I-HA A 4.35 ambi=1 { CA:61.095 } ::sumAvg: 4.94 atom: 10 2I-HB B 1.918 ambi=1 { CB:39.193 } atom: 414 36E-HA A 4.015 ambi=1 { CA:59.271 } ::sumAvg: 4.16 atom: 10 2I-HB B 1.918 ambi=1 { CB:39.193 } atom: 417 36E-HG2 G 2.449 ambi=2 { CG:36.473 } ::sumAvg: 4.545 atom: 417 36E-HG2 G 2.449 ambi=2 { CG:36.473 } atom: 10 2I-HB B 1.918 ambi=1 { CB:39.193 } ::sumAvg: 4.545 atom: 10 2I-HB B 1.918 ambi=1 { CB:39.193 } atom: 424 37Y-H N 8.578 ambi=1 { N:120.782 } ::sumAvg: 4.055 atom: 10 2I-HB B 1.918 ambi=1 { CB:39.193 } atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } :: atom: 10 2I-HB B 1.918 ambi=1 { CB:39.193 } atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } ::sumAvg: 4.435 atom: 10 2I-HB B 1.918 ambi=1 { CB:39.193 } atom: 428 37Y-QD D 7.026 ambi=3 { CD1:132.917 } ::sumAvg: 4.73 atom: 14 2I-HD1 D1 0.866 ambi=1 { CD1:13.882 } atom: 21 3S-H N 8.112 ambi=1 { N:119.28 } ::sumAvg: 3.5 atom: 14 2I-HD1 D1 0.866 ambi=1 { CD1:13.882 } atom: 48 6K-H N 7.844 ambi=1 { N:119.908 } ::sumAvg: 4.635 atom: 49 6K-HA A 4.119 ambi=1 { CA:59.55 } atom: 14 2I-HD1 D1 0.866 ambi=1 { CD1:13.882 } ::sumAvg: 4.57 atom: 14 2I-HD1 D1 0.866 ambi=1 { CD1:13.882 } atom: 66 7I-HA A 3.615 ambi=1 { CA:64.351 } ::sumAvg: 2.805 atom: 14 2I-HD1 D1 0.866 ambi=1 { CD1:13.882 } atom: 65 7I-H N 7.887 ambi=1 { N:120.487 } ::sumAvg: 3.33 atom: 14 2I-HD1 D1 0.866 ambi=1 { CD1:13.882 } atom: 68 7I-HG12 G1 1.655 ambi=2 { CG1:28.999 } ::sumAvg: 2.47 atom: 14 2I-HD1 D1 0.866 ambi=1 { CD1:13.882 } atom: 102 10I-H N 8.462 ambi=1 { N:121.475 } ::sumAvg: 4.865 atom: 14 2I-HD1 D1 0.866 ambi=1 { CD1:13.882 } atom: 104 10I-HB B 2.041 ambi=1 { CB:37.872 } ::sumAvg: 4.645 atom: 104 10I-HB B 2.041 ambi=1 { CB:37.872 } atom: 14 2I-HD1 D1 0.866 ambi=1 { CD1:13.882 } ::sumAvg: 4.645 atom: 105 10I-HG12 G1 1.905 ambi=2 { CG1:31.233 } atom: 14 2I-HD1 D1 0.866 ambi=1 { CD1:13.882 } ::sumAvg: 3.5 atom: 371 33L-HA A 4.153 ambi=1 { CA:57.774 } atom: 14 2I-HD1 D1 0.866 ambi=1 { CD1:13.882 } ::sumAvg: 4.07 atom: 372 33L-HB2 B 1.918 ambi=2 { CB:42.585 } atom: 14 2I-HD1 D1 0.866 ambi=1 { CD1:13.882 } :: atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } atom: 14 2I-HD1 D1 0.866 ambi=1 { CD1:13.882 } ::sumAvg: 3.33 atom: 14 2I-HD1 D1 0.866 ambi=1 { CD1:13.882 } atom: 385 34R-HA A 4.009 ambi=1 { CA:59.839 } ::sumAvg: 4.145 atom: 14 2I-HD1 D1 0.866 ambi=1 { CD1:13.882 } atom: 413 36E-H N 7.939 ambi=1 { N:119.554 } ::sumAvg: 4.605 atom: 14 2I-HD1 D1 0.866 ambi=1 { CD1:13.882 } atom: 414 36E-HA A 4.015 ambi=1 { CA:59.271 } ::sumAvg: 4.815 atom: 14 2I-HD1 D1 0.866 ambi=1 { CD1:13.882 } atom: 424 37Y-H N 8.578 ambi=1 { N:120.782 } ::sumAvg: 2.96 atom: 14 2I-HD1 D1 0.866 ambi=1 { CD1:13.882 } atom: 430 37Y-QE E 6.763 ambi=3 { CE1:118.294 } ::sumAvg: 4.195 atom: 14 2I-HD1 D1 0.866 ambi=1 { CD1:13.882 } atom: 440 38L-H N 8.229 ambi=1 { N:119.275 } ::sumAvg: 4.89 atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } atom: 21 3S-H N 8.112 ambi=1 { N:119.28 } ::sumAvg: 3.81 atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } atom: 22 3S-HA A 4.414 ambi=1 { CA:57.714 } ::sumAvg: 4.02 atom: 22 3S-HA A 4.414 ambi=1 { CA:57.714 } atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } ::sumAvg: 4.02 atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } atom: 50 6K-HB2 B 2 ambi=2 { CB:32.639 } :: atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } atom: 51 6K-HB3 B 1.717 ambi=2 { CB:32.639 } ::sumAvg: 4.555 atom: 68 7I-HG12 G1 1.655 ambi=2 { CG1:28.999 } atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } ::sumAvg: 3.575 atom: 414 36E-HA A 4.015 ambi=1 { CA:59.271 } atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } ::sumAvg: 4.855 atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } atom: 415 36E-HB2 B 2.172 ambi=2 { CB:29.75 } :: atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } atom: 416 36E-HB3 B 2.1 ambi=2 { CB:29.75 } ::sumAvg: 3.82 atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } atom: 424 37Y-H N 8.578 ambi=1 { N:120.782 } ::sumAvg: 4.245 atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } :: atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } ::sumAvg: 3.83 atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } atom: 430 37Y-QE E 6.763 ambi=3 { CE1:118.294 } ::sumAvg: 4.455 atom: 456 39K-QB B 1.886 ambi=2 { CB:32.466 } atom: 13 2I-HG2 G2 0.975 ambi=1 { CG2:17.466 } ::sumAvg: 4.975 atom: 23 3S-HB2 B 4.219 ambi=2 { CB:64.725 } atom: 31 4N-QB B 2.841 ambi=2 { CB:37.972 } :: atom: 24 3S-HB3 B 3.973 ambi=2 { CB:64.725 } atom: 31 4N-QB B 2.841 ambi=2 { CB:37.972 } ::sumAvg: 4.74 atom: 23 3S-HB2 B 4.219 ambi=2 { CB:64.725 } atom: 29 4N-H N 8.832 ambi=1 { N:120.76 } :: atom: 24 3S-HB3 B 3.973 ambi=2 { CB:64.725 } atom: 29 4N-H N 8.832 ambi=1 { N:120.76 } ::sumAvg: 3.145 atom: 23 3S-HB2 B 4.219 ambi=2 { CB:64.725 } atom: 41 5A-H N 8.504 ambi=1 { N:123.401 } :: atom: 24 3S-HB3 B 3.973 ambi=2 { CB:64.725 } atom: 41 5A-H N 8.504 ambi=1 { N:123.401 } ::sumAvg: 3.015 atom: 23 3S-HB2 B 4.219 ambi=2 { CB:64.725 } atom: 48 6K-H N 7.844 ambi=1 { N:119.908 } :: atom: 24 3S-HB3 B 3.973 ambi=2 { CB:64.725 } atom: 48 6K-H N 7.844 ambi=1 { N:119.908 } ::sumAvg: 3.355 atom: 52 6K-HG2 G 1.522 ambi=2 { CG:26.773 } atom: 23 3S-HB2 B 4.219 ambi=2 { CB:64.725 } :: atom: 53 6K-HG3 G 1.388 ambi=2 { CG:26.773 } atom: 23 3S-HB2 B 4.219 ambi=2 { CB:64.725 } :: atom: 52 6K-HG2 G 1.522 ambi=2 { CG:26.773 } atom: 24 3S-HB3 B 3.973 ambi=2 { CB:64.725 } :: atom: 53 6K-HG3 G 1.388 ambi=2 { CG:26.773 } atom: 24 3S-HB3 B 3.973 ambi=2 { CB:64.725 } ::sumAvg: 3.375 atom: 23 3S-HB2 B 4.219 ambi=2 { CB:64.725 } atom: 56 6K-HE2 E 2.983 ambi=2 { CE:42.192 } :: atom: 23 3S-HB2 B 4.219 ambi=2 { CB:64.725 } atom: 57 6K-HE3 E 2.959 ambi=2 { CE:42.192 } :: atom: 24 3S-HB3 B 3.973 ambi=2 { CB:64.725 } atom: 56 6K-HE2 E 2.983 ambi=2 { CE:42.192 } :: atom: 24 3S-HB3 B 3.973 ambi=2 { CB:64.725 } atom: 57 6K-HE3 E 2.959 ambi=2 { CE:42.192 } ::sumAvg: 4.74 atom: 50 6K-HB2 B 2 ambi=2 { CB:32.639 } atom: 21 3S-H N 8.112 ambi=1 { N:119.28 } :: atom: 51 6K-HB3 B 1.717 ambi=2 { CB:32.639 } atom: 21 3S-H N 8.112 ambi=1 { N:119.28 } ::sumAvg: 2.645 atom: 52 6K-HG2 G 1.522 ambi=2 { CG:26.773 } atom: 21 3S-H N 8.112 ambi=1 { N:119.28 } :: atom: 53 6K-HG3 G 1.388 ambi=2 { CG:26.773 } atom: 21 3S-H N 8.112 ambi=1 { N:119.28 } ::sumAvg: 3.325 atom: 54 6K-HD2 D 1.731 ambi=2 { CD:29.35 } atom: 21 3S-H N 8.112 ambi=1 { N:119.28 } :: atom: 55 6K-HD3 D 1.678 ambi=2 { CD:29.35 } atom: 21 3S-H N 8.112 ambi=1 { N:119.28 } ::sumAvg: 2.455 atom: 56 6K-HE2 E 2.983 ambi=2 { CE:42.192 } atom: 21 3S-H N 8.112 ambi=1 { N:119.28 } :: atom: 57 6K-HE3 E 2.959 ambi=2 { CE:42.192 } atom: 21 3S-H N 8.112 ambi=1 { N:119.28 } ::sumAvg: 4.17 atom: 68 7I-HG12 G1 1.655 ambi=2 { CG1:28.999 } atom: 21 3S-H N 8.112 ambi=1 { N:119.28 } :: atom: 69 7I-HG13 G1 1.102 ambi=2 { CG1:28.999 } atom: 21 3S-H N 8.112 ambi=1 { N:119.28 } ::sumAvg: 4.34 atom: 31 4N-QB B 2.841 ambi=2 { CB:37.972 } atom: 22 3S-HA A 4.414 ambi=1 { CA:57.714 } ::sumAvg: 4.515 atom: 22 3S-HA A 4.414 ambi=1 { CA:57.714 } atom: 41 5A-H N 8.504 ambi=1 { N:123.401 } ::sumAvg: 4.36 atom: 22 3S-HA A 4.414 ambi=1 { CA:57.714 } atom: 50 6K-HB2 B 2 ambi=2 { CB:32.639 } :: atom: 22 3S-HA A 4.414 ambi=1 { CA:57.714 } atom: 51 6K-HB3 B 1.717 ambi=2 { CB:32.639 } ::sumAvg: 4.84 atom: 22 3S-HA A 4.414 ambi=1 { CA:57.714 } atom: 48 6K-H N 7.844 ambi=1 { N:119.908 } ::sumAvg: 4.755 atom: 22 3S-HA A 4.414 ambi=1 { CA:57.714 } atom: 68 7I-HG12 G1 1.655 ambi=2 { CG1:28.999 } :: atom: 22 3S-HA A 4.414 ambi=1 { CA:57.714 } atom: 69 7I-HG13 G1 1.102 ambi=2 { CG1:28.999 } ::sumAvg: 4.6 atom: 68 7I-HG12 G1 1.655 ambi=2 { CG1:28.999 } atom: 22 3S-HA A 4.414 ambi=1 { CA:57.714 } :: atom: 69 7I-HG13 G1 1.102 ambi=2 { CG1:28.999 } atom: 22 3S-HA A 4.414 ambi=1 { CA:57.714 } ::sumAvg: 4.6 atom: 22 3S-HA A 4.414 ambi=1 { CA:57.714 } atom: 71 7I-HD1 D1 0.863 ambi=1 { CD1:12.617 } ::sumAvg: 4.31 atom: 71 7I-HD1 D1 0.863 ambi=1 { CD1:12.617 } atom: 22 3S-HA A 4.414 ambi=1 { CA:57.714 } ::sumAvg: 4.31 atom: 30 4N-HA A 4.511 ambi=1 { CA:55.617 } atom: 33 4N-HD21 D2 7.725 ambi=1 { ND2:112.906 } :: atom: 30 4N-HA A 4.511 ambi=1 { CA:55.617 } atom: 34 4N-HD22 D2 7 ambi=1 { ND2:112.906 } ::sumAvg: 3.675 atom: 30 4N-HA A 4.511 ambi=1 { CA:55.617 } atom: 81 8A-HB B 1.478 ambi=1 { CB:17.517 } ::sumAvg: 4.675 atom: 81 8A-HB B 1.478 ambi=1 { CB:17.517 } atom: 30 4N-HA A 4.511 ambi=1 { CA:55.617 } ::sumAvg: 4.675 atom: 68 7I-HG12 G1 1.655 ambi=2 { CG1:28.999 } atom: 30 4N-HA A 4.511 ambi=1 { CA:55.617 } :: atom: 69 7I-HG13 G1 1.102 ambi=2 { CG1:28.999 } atom: 30 4N-HA A 4.511 ambi=1 { CA:55.617 } ::sumAvg: 2.93 atom: 43 5A-HB B 1.437 ambi=1 { CB:18.468 } atom: 31 4N-QB B 2.841 ambi=2 { CB:37.972 } ::sumAvg: 4.175 atom: 31 4N-QB B 2.841 ambi=2 { CB:37.972 } atom: 48 6K-H N 7.844 ambi=1 { N:119.908 } ::sumAvg: 4.925 atom: 31 4N-QB B 2.841 ambi=2 { CB:37.972 } atom: 65 7I-H N 7.887 ambi=1 { N:120.487 } ::sumAvg: 4.845 atom: 81 8A-HB B 1.478 ambi=1 { CB:17.517 } atom: 31 4N-QB B 2.841 ambi=2 { CB:37.972 } ::sumAvg: 4.435 atom: 31 4N-QB B 2.841 ambi=2 { CB:37.972 } atom: 68 7I-HG12 G1 1.655 ambi=2 { CG1:28.999 } :: atom: 31 4N-QB B 2.841 ambi=2 { CB:37.972 } atom: 69 7I-HG13 G1 1.102 ambi=2 { CG1:28.999 } ::sumAvg: 4.9 atom: 68 7I-HG12 G1 1.655 ambi=2 { CG1:28.999 } atom: 31 4N-QB B 2.841 ambi=2 { CB:37.972 } :: atom: 69 7I-HG13 G1 1.102 ambi=2 { CG1:28.999 } atom: 31 4N-QB B 2.841 ambi=2 { CB:37.972 } ::sumAvg: 4.9 atom: 70 7I-HG2 G2 0.896 ambi=1 { CG2:17.205 } atom: 31 4N-QB B 2.841 ambi=2 { CB:37.972 } ::sumAvg: 4.905 atom: 71 7I-HD1 D1 0.863 ambi=1 { CD1:12.617 } atom: 31 4N-QB B 2.841 ambi=2 { CB:37.972 } ::sumAvg: 3.855 atom: 31 4N-QB B 2.841 ambi=2 { CB:37.972 } atom: 79 8A-H N 8.062 ambi=1 { N:121.576 } ::sumAvg: 4.79 atom: 31 4N-QB B 2.841 ambi=2 { CB:37.972 } atom: 29 4N-H N 8.832 ambi=1 { N:120.76 } ::sumAvg: 2.435 atom: 43 5A-HB B 1.437 ambi=1 { CB:18.468 } atom: 29 4N-H N 8.832 ambi=1 { N:120.76 } ::sumAvg: 4.48 atom: 68 7I-HG12 G1 1.655 ambi=2 { CG1:28.999 } atom: 29 4N-H N 8.832 ambi=1 { N:120.76 } :: atom: 69 7I-HG13 G1 1.102 ambi=2 { CG1:28.999 } atom: 29 4N-H N 8.832 ambi=1 { N:120.76 } ::sumAvg: 4.56 atom: 71 7I-HD1 D1 0.863 ambi=1 { CD1:12.617 } atom: 29 4N-H N 8.832 ambi=1 { N:120.76 } ::sumAvg: 4.01 atom: 71 7I-HD1 D1 0.863 ambi=1 { CD1:12.617 } atom: 33 4N-HD21 D2 7.725 ambi=1 { ND2:112.906 } ::sumAvg: 4.655 atom: 50 6K-HB2 B 2 ambi=2 { CB:32.639 } atom: 41 5A-H N 8.504 ambi=1 { N:123.401 } :: atom: 51 6K-HB3 B 1.717 ambi=2 { CB:32.639 } atom: 41 5A-H N 8.504 ambi=1 { N:123.401 } ::sumAvg: 4.865 atom: 52 6K-HG2 G 1.522 ambi=2 { CG:26.773 } atom: 41 5A-H N 8.504 ambi=1 { N:123.401 } :: atom: 53 6K-HG3 G 1.388 ambi=2 { CG:26.773 } atom: 41 5A-H N 8.504 ambi=1 { N:123.401 } ::sumAvg: 4.775 atom: 81 8A-HB B 1.478 ambi=1 { CB:17.517 } atom: 41 5A-H N 8.504 ambi=1 { N:123.401 } ::sumAvg: 4.815 atom: 43 5A-HB B 1.437 ambi=1 { CB:18.468 } atom: 50 6K-HB2 B 2 ambi=2 { CB:32.639 } ::sumAvg: 4.475 atom: 43 5A-HB B 1.437 ambi=1 { CB:18.468 } atom: 49 6K-HA A 4.119 ambi=1 { CA:59.55 } ::sumAvg: 3.885 atom: 43 5A-HB B 1.437 ambi=1 { CB:18.468 } atom: 79 8A-H N 8.062 ambi=1 { N:121.576 } ::sumAvg: 4.815 atom: 43 5A-HB B 1.437 ambi=1 { CB:18.468 } atom: 88 9R-HB2 B 2.243 ambi=2 { CB:29.638 } :: atom: 43 5A-HB B 1.437 ambi=1 { CB:18.468 } atom: 89 9R-HB3 B 1.969 ambi=2 { CB:29.638 } ::sumAvg: 4.68 atom: 43 5A-HB B 1.437 ambi=1 { CB:18.468 } atom: 86 9R-H N 7.769 ambi=1 { N:120.694 } ::sumAvg: 4.725 atom: 50 6K-HB2 B 2 ambi=2 { CB:32.639 } atom: 66 7I-HA A 3.615 ambi=1 { CA:64.351 } :: atom: 51 6K-HB3 B 1.717 ambi=2 { CB:32.639 } atom: 66 7I-HA A 3.615 ambi=1 { CA:64.351 } ::sumAvg: 4.4 atom: 50 6K-HB2 B 2 ambi=2 { CB:32.639 } atom: 69 7I-HG13 G1 1.102 ambi=2 { CG1:28.999 } :: atom: 51 6K-HB3 B 1.717 ambi=2 { CB:32.639 } atom: 69 7I-HG13 G1 1.102 ambi=2 { CG1:28.999 } ::sumAvg: 3.625 atom: 69 7I-HG13 G1 1.102 ambi=2 { CG1:28.999 } atom: 50 6K-HB2 B 2 ambi=2 { CB:32.639 } :: atom: 69 7I-HG13 G1 1.102 ambi=2 { CG1:28.999 } atom: 51 6K-HB3 B 1.717 ambi=2 { CB:32.639 } ::sumAvg: 3.625 atom: 71 7I-HD1 D1 0.863 ambi=1 { CD1:12.617 } atom: 50 6K-HB2 B 2 ambi=2 { CB:32.639 } :: atom: 71 7I-HD1 D1 0.863 ambi=1 { CD1:12.617 } atom: 51 6K-HB3 B 1.717 ambi=2 { CB:32.639 } ::sumAvg: 4.98 atom: 51 6K-HB3 B 1.717 ambi=2 { CB:32.639 } atom: 88 9R-HB2 B 2.243 ambi=2 { CB:29.638 } ::sumAvg: 4.15 atom: 88 9R-HB2 B 2.243 ambi=2 { CB:29.638 } atom: 51 6K-HB3 B 1.717 ambi=2 { CB:32.639 } ::sumAvg: 4.15 atom: 50 6K-HB2 B 2 ambi=2 { CB:32.639 } atom: 102 10I-H N 8.462 ambi=1 { N:121.475 } :: atom: 51 6K-HB3 B 1.717 ambi=2 { CB:32.639 } atom: 102 10I-H N 8.462 ambi=1 { N:121.475 } ::sumAvg: 4.885 atom: 50 6K-HB2 B 2 ambi=2 { CB:32.639 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } :: atom: 51 6K-HB3 B 1.717 ambi=2 { CB:32.639 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } ::sumAvg: 3.74 atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } atom: 50 6K-HB2 B 2 ambi=2 { CB:32.639 } ::sumAvg: 3.2 atom: 51 6K-HB3 B 1.717 ambi=2 { CB:32.639 } atom: 415 36E-HB2 B 2.172 ambi=2 { CB:29.75 } ::sumAvg: 4.74 atom: 415 36E-HB2 B 2.172 ambi=2 { CB:29.75 } atom: 51 6K-HB3 B 1.717 ambi=2 { CB:32.639 } ::sumAvg: 4.74 atom: 49 6K-HA A 4.119 ambi=1 { CA:59.55 } atom: 66 7I-HA A 3.615 ambi=1 { CA:64.351 } ::sumAvg: 4.84 atom: 66 7I-HA A 3.615 ambi=1 { CA:64.351 } atom: 49 6K-HA A 4.119 ambi=1 { CA:59.55 } ::sumAvg: 4.84 atom: 54 6K-HD2 D 1.731 ambi=2 { CD:29.35 } atom: 49 6K-HA A 4.119 ambi=1 { CA:59.55 } :: atom: 55 6K-HD3 D 1.678 ambi=2 { CD:29.35 } atom: 49 6K-HA A 4.119 ambi=1 { CA:59.55 } ::sumAvg: 4.33 atom: 49 6K-HA A 4.119 ambi=1 { CA:59.55 } atom: 79 8A-H N 8.062 ambi=1 { N:121.576 } ::sumAvg: 4.575 atom: 90 9R-HG2 G 1.841 ambi=2 { CG:26.13 } atom: 49 6K-HA A 4.119 ambi=1 { CA:59.55 } :: atom: 91 9R-HG3 G 1.46 ambi=2 { CG:26.13 } atom: 49 6K-HA A 4.119 ambi=1 { CA:59.55 } ::sumAvg: 4.035 atom: 49 6K-HA A 4.119 ambi=1 { CA:59.55 } atom: 102 10I-H N 8.462 ambi=1 { N:121.475 } ::sumAvg: 4.155 atom: 105 10I-HG12 G1 1.905 ambi=2 { CG1:31.233 } atom: 49 6K-HA A 4.119 ambi=1 { CA:59.55 } :: atom: 106 10I-HG13 G1 0.917 ambi=2 { CG1:31.233 } atom: 49 6K-HA A 4.119 ambi=1 { CA:59.55 } ::sumAvg: 4.285 atom: 49 6K-HA A 4.119 ambi=1 { CA:59.55 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } ::sumAvg: 4.96 atom: 66 7I-HA A 3.615 ambi=1 { CA:64.351 } atom: 80 8A-HA A 4.16 ambi=1 { CA:55.102 } ::sumAvg: 4.85 atom: 80 8A-HA A 4.16 ambi=1 { CA:55.102 } atom: 66 7I-HA A 3.615 ambi=1 { CA:64.351 } ::sumAvg: 4.85 atom: 66 7I-HA A 3.615 ambi=1 { CA:64.351 } atom: 86 9R-H N 7.769 ambi=1 { N:120.694 } ::sumAvg: 4.42 atom: 66 7I-HA A 3.615 ambi=1 { CA:64.351 } atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } ::sumAvg: 4.105 atom: 66 7I-HA A 3.615 ambi=1 { CA:64.351 } atom: 121 11N-HD22 D2 6.881 ambi=1 { ND2:112.248 } ::sumAvg: 4.97 atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } atom: 66 7I-HA A 3.615 ambi=1 { CA:64.351 } :: atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } atom: 66 7I-HA A 3.615 ambi=1 { CA:64.351 } ::sumAvg: 4.955 atom: 66 7I-HA A 3.615 ambi=1 { CA:64.351 } atom: 428 37Y-QD D 7.026 ambi=3 { CD1:132.917 } ::sumAvg: 4.605 atom: 81 8A-HB B 1.478 ambi=1 { CB:17.517 } atom: 67 7I-HB B 1.928 ambi=1 { CB:37.623 } ::sumAvg: 3.92 atom: 67 7I-HB B 1.928 ambi=1 { CB:37.623 } atom: 86 9R-H N 7.769 ambi=1 { N:120.694 } ::sumAvg: 4.94 atom: 67 7I-HB B 1.928 ambi=1 { CB:37.623 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } ::sumAvg: 4.91 atom: 67 7I-HB B 1.928 ambi=1 { CB:37.623 } atom: 121 11N-HD22 D2 6.881 ambi=1 { ND2:112.248 } ::sumAvg: 4.83 atom: 88 9R-HB2 B 2.243 ambi=2 { CB:29.638 } atom: 52 6K-HG2 G 1.522 ambi=2 { CG:26.773 } :: atom: 89 9R-HB3 B 1.969 ambi=2 { CB:29.638 } atom: 52 6K-HG2 G 1.522 ambi=2 { CG:26.773 } :: atom: 88 9R-HB2 B 2.243 ambi=2 { CB:29.638 } atom: 53 6K-HG3 G 1.388 ambi=2 { CG:26.773 } :: atom: 89 9R-HB3 B 1.969 ambi=2 { CB:29.638 } atom: 53 6K-HG3 G 1.388 ambi=2 { CG:26.773 } ::sumAvg: 4.415 atom: 53 6K-HG3 G 1.388 ambi=2 { CG:26.773 } atom: 90 9R-HG2 G 1.841 ambi=2 { CG:26.13 } ::sumAvg: 4.875 atom: 90 9R-HG2 G 1.841 ambi=2 { CG:26.13 } atom: 53 6K-HG3 G 1.388 ambi=2 { CG:26.773 } ::sumAvg: 4.875 atom: 54 6K-HD2 D 1.731 ambi=2 { CD:29.35 } atom: 371 33L-HA A 4.153 ambi=1 { CA:57.774 } :: atom: 55 6K-HD3 D 1.678 ambi=2 { CD:29.35 } atom: 371 33L-HA A 4.153 ambi=1 { CA:57.774 } ::sumAvg: 3.58 atom: 54 6K-HD2 D 1.731 ambi=2 { CD:29.35 } atom: 415 36E-HB2 B 2.172 ambi=2 { CB:29.75 } :: atom: 55 6K-HD3 D 1.678 ambi=2 { CD:29.35 } atom: 415 36E-HB2 B 2.172 ambi=2 { CB:29.75 } :: atom: 55 6K-HD3 D 1.678 ambi=2 { CD:29.35 } atom: 416 36E-HB3 B 2.1 ambi=2 { CB:29.75 } ::sumAvg: 3.91 atom: 54 6K-HD2 D 1.731 ambi=2 { CD:29.35 } atom: 417 36E-HG2 G 2.449 ambi=2 { CG:36.473 } :: atom: 54 6K-HD2 D 1.731 ambi=2 { CD:29.35 } atom: 418 36E-HG3 G 2.186 ambi=2 { CG:36.473 } :: atom: 55 6K-HD3 D 1.678 ambi=2 { CD:29.35 } atom: 417 36E-HG2 G 2.449 ambi=2 { CG:36.473 } :: atom: 55 6K-HD3 D 1.678 ambi=2 { CD:29.35 } atom: 418 36E-HG3 G 2.186 ambi=2 { CG:36.473 } ::sumAvg: 3.56 atom: 417 36E-HG2 G 2.449 ambi=2 { CG:36.473 } atom: 56 6K-HE2 E 2.983 ambi=2 { CE:42.192 } :: atom: 418 36E-HG3 G 2.186 ambi=2 { CG:36.473 } atom: 56 6K-HE2 E 2.983 ambi=2 { CE:42.192 } :: atom: 417 36E-HG2 G 2.449 ambi=2 { CG:36.473 } atom: 57 6K-HE3 E 2.959 ambi=2 { CE:42.192 } :: atom: 418 36E-HG3 G 2.186 ambi=2 { CG:36.473 } atom: 57 6K-HE3 E 2.959 ambi=2 { CE:42.192 } ::sumAvg: 3.45 atom: 81 8A-HB B 1.478 ambi=1 { CB:17.517 } atom: 65 7I-H N 7.887 ambi=1 { N:120.487 } ::sumAvg: 4.415 atom: 105 10I-HG12 G1 1.905 ambi=2 { CG1:31.233 } atom: 65 7I-H N 7.887 ambi=1 { N:120.487 } :: atom: 106 10I-HG13 G1 0.917 ambi=2 { CG1:31.233 } atom: 65 7I-H N 7.887 ambi=1 { N:120.487 } ::sumAvg: 4.665 atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } atom: 65 7I-H N 7.887 ambi=1 { N:120.487 } ::sumAvg: 4.31 atom: 81 8A-HB B 1.478 ambi=1 { CB:17.517 } atom: 88 9R-HB2 B 2.243 ambi=2 { CB:29.638 } :: atom: 81 8A-HB B 1.478 ambi=1 { CB:17.517 } atom: 89 9R-HB3 B 1.969 ambi=2 { CB:29.638 } ::sumAvg: 4.145 atom: 81 8A-HB B 1.478 ambi=1 { CB:17.517 } atom: 102 10I-H N 8.462 ambi=1 { N:121.475 } ::sumAvg: 4.59 atom: 81 8A-HB B 1.478 ambi=1 { CB:17.517 } atom: 116 11N-H N 8.161 ambi=1 { N:119.357 } ::sumAvg: 4.685 atom: 81 8A-HB B 1.478 ambi=1 { CB:17.517 } atom: 118 11N-HB2 B 2.9 ambi=2 { CB:37.642 } :: atom: 81 8A-HB B 1.478 ambi=1 { CB:17.517 } atom: 119 11N-HB3 B 2.811 ambi=2 { CB:37.642 } ::sumAvg: 4.115 atom: 81 8A-HB B 1.478 ambi=1 { CB:17.517 } atom: 120 11N-HD21 D2 7.558 ambi=1 { ND2:112.248 } ::sumAvg: 3.995 atom: 81 8A-HB B 1.478 ambi=1 { CB:17.517 } atom: 128 12E-H N 8.528 ambi=1 { N:124.689 } ::sumAvg: 4.645 atom: 81 8A-HB B 1.478 ambi=1 { CB:17.517 } atom: 130 12E-HB2 B 2.264 ambi=2 { CB:30.026 } :: atom: 81 8A-HB B 1.478 ambi=1 { CB:17.517 } atom: 131 12E-HB3 B 2.185 ambi=2 { CB:30.026 } ::sumAvg: 4.735 atom: 68 7I-HG12 G1 1.655 ambi=2 { CG1:28.999 } atom: 79 8A-H N 8.062 ambi=1 { N:121.576 } :: atom: 69 7I-HG13 G1 1.102 ambi=2 { CG1:28.999 } atom: 79 8A-H N 8.062 ambi=1 { N:121.576 } ::sumAvg: 4.15 atom: 68 7I-HG12 G1 1.655 ambi=2 { CG1:28.999 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } :: atom: 69 7I-HG13 G1 1.102 ambi=2 { CG1:28.999 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } ::sumAvg: 3.36 atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } atom: 68 7I-HG12 G1 1.655 ambi=2 { CG1:28.999 } :: atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } atom: 68 7I-HG12 G1 1.655 ambi=2 { CG1:28.999 } :: atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } atom: 69 7I-HG13 G1 1.102 ambi=2 { CG1:28.999 } :: atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } atom: 69 7I-HG13 G1 1.102 ambi=2 { CG1:28.999 } ::sumAvg: 4.615 atom: 68 7I-HG12 G1 1.655 ambi=2 { CG1:28.999 } atom: 428 37Y-QD D 7.026 ambi=3 { CD1:132.917 } :: atom: 69 7I-HG13 G1 1.102 ambi=2 { CG1:28.999 } atom: 428 37Y-QD D 7.026 ambi=3 { CD1:132.917 } ::sumAvg: 3.01 atom: 68 7I-HG12 G1 1.655 ambi=2 { CG1:28.999 } atom: 430 37Y-QE E 6.763 ambi=3 { CE1:118.294 } :: atom: 69 7I-HG13 G1 1.102 ambi=2 { CG1:28.999 } atom: 430 37Y-QE E 6.763 ambi=3 { CE1:118.294 } ::sumAvg: 3.99 atom: 70 7I-HG2 G2 0.896 ambi=1 { CG2:17.205 } atom: 81 8A-HB B 1.478 ambi=1 { CB:17.517 } ::sumAvg: 4.055 atom: 70 7I-HG2 G2 0.896 ambi=1 { CG2:17.205 } atom: 102 10I-H N 8.462 ambi=1 { N:121.475 } ::sumAvg: 4.59 atom: 70 7I-HG2 G2 0.896 ambi=1 { CG2:17.205 } atom: 104 10I-HB B 2.041 ambi=1 { CB:37.872 } ::sumAvg: 3.6 atom: 70 7I-HG2 G2 0.896 ambi=1 { CG2:17.205 } atom: 116 11N-H N 8.161 ambi=1 { N:119.357 } ::sumAvg: 4.025 atom: 70 7I-HG2 G2 0.896 ambi=1 { CG2:17.205 } atom: 118 11N-HB2 B 2.9 ambi=2 { CB:37.642 } :: atom: 70 7I-HG2 G2 0.896 ambi=1 { CG2:17.205 } atom: 119 11N-HB3 B 2.811 ambi=2 { CB:37.642 } ::sumAvg: 4.67 atom: 70 7I-HG2 G2 0.896 ambi=1 { CG2:17.205 } atom: 428 37Y-QD D 7.026 ambi=3 { CD1:132.917 } ::sumAvg: 3.95 atom: 70 7I-HG2 G2 0.896 ambi=1 { CG2:17.205 } atom: 430 37Y-QE E 6.763 ambi=3 { CE1:118.294 } ::sumAvg: 3.69 atom: 71 7I-HD1 D1 0.863 ambi=1 { CD1:12.617 } atom: 79 8A-H N 8.062 ambi=1 { N:121.576 } ::sumAvg: 4.445 atom: 71 7I-HD1 D1 0.863 ambi=1 { CD1:12.617 } atom: 428 37Y-QD D 7.026 ambi=3 { CD1:132.917 } ::sumAvg: 3.595 atom: 88 9R-HB2 B 2.243 ambi=2 { CB:29.638 } atom: 79 8A-H N 8.062 ambi=1 { N:121.576 } :: atom: 89 9R-HB3 B 1.969 ambi=2 { CB:29.638 } atom: 79 8A-H N 8.062 ambi=1 { N:121.576 } ::sumAvg: 4.905 atom: 88 9R-HB2 B 2.243 ambi=2 { CB:29.638 } atom: 94 9R-HE E 8.007 ambi=1 { NE:85.585 } :: atom: 89 9R-HB3 B 1.969 ambi=2 { CB:29.638 } atom: 94 9R-HE E 8.007 ambi=1 { NE:85.585 } ::sumAvg: 3.595 atom: 88 9R-HB2 B 2.243 ambi=2 { CB:29.638 } atom: 103 10I-HA A 3.576 ambi=1 { CA:66.414 } :: atom: 89 9R-HB3 B 1.969 ambi=2 { CB:29.638 } atom: 103 10I-HA A 3.576 ambi=1 { CA:66.414 } ::sumAvg: 4.35 atom: 106 10I-HG13 G1 0.917 ambi=2 { CG1:31.233 } atom: 88 9R-HB2 B 2.243 ambi=2 { CB:29.638 } :: atom: 106 10I-HG13 G1 0.917 ambi=2 { CG1:31.233 } atom: 89 9R-HB3 B 1.969 ambi=2 { CB:29.638 } ::sumAvg: 3.58 atom: 88 9R-HB2 B 2.243 ambi=2 { CB:29.638 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } :: atom: 89 9R-HB3 B 1.969 ambi=2 { CB:29.638 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } ::sumAvg: 4.96 atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } atom: 88 9R-HB2 B 2.243 ambi=2 { CB:29.638 } :: atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } atom: 89 9R-HB3 B 1.969 ambi=2 { CB:29.638 } ::sumAvg: 4.96 atom: 88 9R-HB2 B 2.243 ambi=2 { CB:29.638 } atom: 143 13L-HG G 1.772 ambi=1 { CG:26.709 } ::sumAvg: 4.775 atom: 88 9R-HB2 B 2.243 ambi=2 { CB:29.638 } atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } :: atom: 89 9R-HB3 B 1.969 ambi=2 { CB:29.638 } atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } ::sumAvg: 4.73 atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } atom: 88 9R-HB2 B 2.243 ambi=2 { CB:29.638 } :: atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } atom: 89 9R-HB3 B 1.969 ambi=2 { CB:29.638 } ::sumAvg: 4.73 atom: 92 9R-HD2 D 3.458 ambi=2 { CD:43.191 } atom: 86 9R-H N 7.769 ambi=1 { N:120.694 } :: atom: 93 9R-HD3 D 2.994 ambi=2 { CD:43.191 } atom: 86 9R-H N 7.769 ambi=1 { N:120.694 } ::sumAvg: 4.57 atom: 104 10I-HB B 2.041 ambi=1 { CB:37.872 } atom: 86 9R-H N 7.769 ambi=1 { N:120.694 } ::sumAvg: 4.93 atom: 105 10I-HG12 G1 1.905 ambi=2 { CG1:31.233 } atom: 86 9R-H N 7.769 ambi=1 { N:120.694 } :: atom: 106 10I-HG13 G1 0.917 ambi=2 { CG1:31.233 } atom: 86 9R-H N 7.769 ambi=1 { N:120.694 } ::sumAvg: 4.52 atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } atom: 86 9R-H N 7.769 ambi=1 { N:120.694 } :: atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } atom: 86 9R-H N 7.769 ambi=1 { N:120.694 } ::sumAvg: 4.38 atom: 87 9R-HA A 4.226 ambi=1 { CA:57.517 } atom: 94 9R-HE E 8.007 ambi=1 { NE:85.585 } ::sumAvg: 4.46 atom: 87 9R-HA A 4.226 ambi=1 { CA:57.517 } atom: 103 10I-HA A 3.576 ambi=1 { CA:66.414 } ::sumAvg: 4.855 atom: 103 10I-HA A 3.576 ambi=1 { CA:66.414 } atom: 87 9R-HA A 4.226 ambi=1 { CA:57.517 } ::sumAvg: 4.855 atom: 87 9R-HA A 4.226 ambi=1 { CA:57.517 } atom: 116 11N-H N 8.161 ambi=1 { N:119.357 } ::sumAvg: 4.595 atom: 87 9R-HA A 4.226 ambi=1 { CA:57.517 } atom: 139 13L-H N 8.669 ambi=1 { N:119.467 } ::sumAvg: 3.905 atom: 87 9R-HA A 4.226 ambi=1 { CA:57.517 } atom: 143 13L-HG G 1.772 ambi=1 { CG:26.709 } ::sumAvg: 3.955 atom: 143 13L-HG G 1.772 ambi=1 { CG:26.709 } atom: 87 9R-HA A 4.226 ambi=1 { CA:57.517 } ::sumAvg: 3.955 atom: 144 13L-HD1 D1 0.778 ambi=2 { CD1:25.584 } atom: 87 9R-HA A 4.226 ambi=1 { CA:57.517 } :: atom: 145 13L-HD2 D2 0.749 ambi=2 { CD2:21.656 } atom: 87 9R-HA A 4.226 ambi=1 { CA:57.517 } ::sumAvg: 4.685 atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } atom: 87 9R-HA A 4.226 ambi=1 { CA:57.517 } :: atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } atom: 87 9R-HA A 4.226 ambi=1 { CA:57.517 } ::sumAvg: 4.46 atom: 92 9R-HD2 D 3.458 ambi=2 { CD:43.191 } atom: 128 12E-H N 8.528 ambi=1 { N:124.689 } :: atom: 93 9R-HD3 D 2.994 ambi=2 { CD:43.191 } atom: 128 12E-H N 8.528 ambi=1 { N:124.689 } ::sumAvg: 4.75 atom: 132 12E-HG2 G 2.388 ambi=2 { CG:36.091 } atom: 92 9R-HD2 D 3.458 ambi=2 { CD:43.191 } :: atom: 133 12E-HG3 G 2.01 ambi=2 { CG:36.091 } atom: 92 9R-HD2 D 3.458 ambi=2 { CD:43.191 } :: atom: 132 12E-HG2 G 2.388 ambi=2 { CG:36.091 } atom: 93 9R-HD3 D 2.994 ambi=2 { CD:43.191 } :: atom: 133 12E-HG3 G 2.01 ambi=2 { CG:36.091 } atom: 93 9R-HD3 D 2.994 ambi=2 { CD:43.191 } ::sumAvg: 3.515 atom: 92 9R-HD2 D 3.458 ambi=2 { CD:43.191 } atom: 139 13L-H N 8.669 ambi=1 { N:119.467 } :: atom: 93 9R-HD3 D 2.994 ambi=2 { CD:43.191 } atom: 139 13L-H N 8.669 ambi=1 { N:119.467 } ::sumAvg: 4.08 atom: 90 9R-HG2 G 1.841 ambi=2 { CG:26.13 } atom: 102 10I-H N 8.462 ambi=1 { N:121.475 } :: atom: 91 9R-HG3 G 1.46 ambi=2 { CG:26.13 } atom: 102 10I-H N 8.462 ambi=1 { N:121.475 } ::sumAvg: 3.77 atom: 90 9R-HG2 G 1.841 ambi=2 { CG:26.13 } atom: 103 10I-HA A 3.576 ambi=1 { CA:66.414 } :: atom: 91 9R-HG3 G 1.46 ambi=2 { CG:26.13 } atom: 103 10I-HA A 3.576 ambi=1 { CA:66.414 } ::sumAvg: 3.83 atom: 106 10I-HG13 G1 0.917 ambi=2 { CG1:31.233 } atom: 90 9R-HG2 G 1.841 ambi=2 { CG:26.13 } :: atom: 105 10I-HG12 G1 1.905 ambi=2 { CG1:31.233 } atom: 91 9R-HG3 G 1.46 ambi=2 { CG:26.13 } :: atom: 106 10I-HG13 G1 0.917 ambi=2 { CG1:31.233 } atom: 91 9R-HG3 G 1.46 ambi=2 { CG:26.13 } ::sumAvg: 4.655 atom: 90 9R-HG2 G 1.841 ambi=2 { CG:26.13 } atom: 139 13L-H N 8.669 ambi=1 { N:119.467 } :: atom: 91 9R-HG3 G 1.46 ambi=2 { CG:26.13 } atom: 139 13L-H N 8.669 ambi=1 { N:119.467 } ::sumAvg: 4.14 atom: 142 13L-HB3 B 1.199 ambi=2 { CB:41.16 } atom: 90 9R-HG2 G 1.841 ambi=2 { CG:26.13 } :: atom: 141 13L-HB2 B 1.939 ambi=2 { CB:41.16 } atom: 91 9R-HG3 G 1.46 ambi=2 { CG:26.13 } ::sumAvg: 4.28 atom: 90 9R-HG2 G 1.841 ambi=2 { CG:26.13 } atom: 316 29E-HG2 G 2.385 ambi=2 { CG:35.082 } :: atom: 91 9R-HG3 G 1.46 ambi=2 { CG:26.13 } atom: 316 29E-HG2 G 2.385 ambi=2 { CG:35.082 } :: atom: 91 9R-HG3 G 1.46 ambi=2 { CG:26.13 } atom: 317 29E-HG3 G 2.041 ambi=2 { CG:35.082 } ::sumAvg: 3.685 atom: 316 29E-HG2 G 2.385 ambi=2 { CG:35.082 } atom: 90 9R-HG2 G 1.841 ambi=2 { CG:26.13 } :: atom: 316 29E-HG2 G 2.385 ambi=2 { CG:35.082 } atom: 91 9R-HG3 G 1.46 ambi=2 { CG:26.13 } :: atom: 317 29E-HG3 G 2.041 ambi=2 { CG:35.082 } atom: 91 9R-HG3 G 1.46 ambi=2 { CG:26.13 } ::sumAvg: 3.685 atom: 90 9R-HG2 G 1.841 ambi=2 { CG:26.13 } atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } :: atom: 91 9R-HG3 G 1.46 ambi=2 { CG:26.13 } atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } ::sumAvg: 4.755 atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } atom: 90 9R-HG2 G 1.841 ambi=2 { CG:26.13 } :: atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } atom: 91 9R-HG3 G 1.46 ambi=2 { CG:26.13 } ::sumAvg: 4.755 atom: 91 9R-HG3 G 1.46 ambi=2 { CG:26.13 } atom: 374 33L-HG G 1.904 ambi=1 { CG:27.026 } ::sumAvg: 4.68 atom: 374 33L-HG G 1.904 ambi=1 { CG:27.026 } atom: 91 9R-HG3 G 1.46 ambi=2 { CG:26.13 } ::sumAvg: 4.68 atom: 130 12E-HB2 B 2.264 ambi=2 { CB:30.026 } atom: 94 9R-HE E 8.007 ambi=1 { NE:85.585 } :: atom: 131 12E-HB3 B 2.185 ambi=2 { CB:30.026 } atom: 94 9R-HE E 8.007 ambi=1 { NE:85.585 } ::sumAvg: 4.785 atom: 143 13L-HG G 1.772 ambi=1 { CG:26.709 } atom: 94 9R-HE E 8.007 ambi=1 { NE:85.585 } ::sumAvg: 3.97 atom: 144 13L-HD1 D1 0.778 ambi=2 { CD1:25.584 } atom: 94 9R-HE E 8.007 ambi=1 { NE:85.585 } :: atom: 145 13L-HD2 D2 0.749 ambi=2 { CD2:21.656 } atom: 94 9R-HE E 8.007 ambi=1 { NE:85.585 } ::sumAvg: 3.195 atom: 316 29E-HG2 G 2.385 ambi=2 { CG:35.082 } atom: 94 9R-HE E 8.007 ambi=1 { NE:85.585 } :: atom: 317 29E-HG3 G 2.041 ambi=2 { CG:35.082 } atom: 94 9R-HE E 8.007 ambi=1 { NE:85.585 } ::sumAvg: 4.02 atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } atom: 94 9R-HE E 8.007 ambi=1 { NE:85.585 } :: atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } atom: 94 9R-HE E 8.007 ambi=1 { NE:85.585 } ::sumAvg: 4.09 atom: 118 11N-HB2 B 2.9 ambi=2 { CB:37.642 } atom: 102 10I-H N 8.462 ambi=1 { N:121.475 } :: atom: 119 11N-HB3 B 2.811 ambi=2 { CB:37.642 } atom: 102 10I-H N 8.462 ambi=1 { N:121.475 } ::sumAvg: 4.93 atom: 143 13L-HG G 1.772 ambi=1 { CG:26.709 } atom: 102 10I-H N 8.462 ambi=1 { N:121.475 } ::sumAvg: 4.955 atom: 144 13L-HD1 D1 0.778 ambi=2 { CD1:25.584 } atom: 102 10I-H N 8.462 ambi=1 { N:121.475 } :: atom: 145 13L-HD2 D2 0.749 ambi=2 { CD2:21.656 } atom: 102 10I-H N 8.462 ambi=1 { N:121.475 } ::sumAvg: 4.565 atom: 103 10I-HA A 3.576 ambi=1 { CA:66.414 } atom: 117 11N-HA A 4.485 ambi=1 { CA:55.961 } ::sumAvg: 4.815 atom: 117 11N-HA A 4.485 ambi=1 { CA:55.961 } atom: 103 10I-HA A 3.576 ambi=1 { CA:66.414 } ::sumAvg: 4.815 atom: 103 10I-HA A 3.576 ambi=1 { CA:66.414 } atom: 128 12E-H N 8.528 ambi=1 { N:124.689 } ::sumAvg: 4.435 atom: 103 10I-HA A 3.576 ambi=1 { CA:66.414 } atom: 153 14A-H N 8.326 ambi=1 { N:122.29 } ::sumAvg: 3.895 atom: 155 14A-HB B 1.525 ambi=1 { CB:17.838 } atom: 103 10I-HA A 3.576 ambi=1 { CA:66.414 } ::sumAvg: 4.45 atom: 325 30Q-HB2 B 2.398 ambi=2 { CB:29.404 } atom: 103 10I-HA A 3.576 ambi=1 { CA:66.414 } :: atom: 326 30Q-HB3 B 2.092 ambi=2 { CB:29.404 } atom: 103 10I-HA A 3.576 ambi=1 { CA:66.414 } ::sumAvg: 4.55 atom: 327 30Q-HG2 G 2.358 ambi=2 { CG:33.681 } atom: 103 10I-HA A 3.576 ambi=1 { CA:66.414 } :: atom: 328 30Q-HG3 G 2.185 ambi=2 { CG:33.681 } atom: 103 10I-HA A 3.576 ambi=1 { CA:66.414 } ::sumAvg: 3.245 atom: 372 33L-HB2 B 1.918 ambi=2 { CB:42.585 } atom: 103 10I-HA A 3.576 ambi=1 { CA:66.414 } :: atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } atom: 103 10I-HA A 3.576 ambi=1 { CA:66.414 } ::sumAvg: 4.355 atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } atom: 103 10I-HA A 3.576 ambi=1 { CA:66.414 } :: atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } atom: 103 10I-HA A 3.576 ambi=1 { CA:66.414 } ::sumAvg: 3.305 atom: 104 10I-HB B 2.041 ambi=1 { CB:37.872 } atom: 117 11N-HA A 4.485 ambi=1 { CA:55.961 } ::sumAvg: 4.38 atom: 117 11N-HA A 4.485 ambi=1 { CA:55.961 } atom: 104 10I-HB B 2.041 ambi=1 { CB:37.872 } ::sumAvg: 4.38 atom: 104 10I-HB B 2.041 ambi=1 { CB:37.872 } atom: 118 11N-HB2 B 2.9 ambi=2 { CB:37.642 } :: atom: 104 10I-HB B 2.041 ambi=1 { CB:37.872 } atom: 119 11N-HB3 B 2.811 ambi=2 { CB:37.642 } ::sumAvg: 4.86 atom: 118 11N-HB2 B 2.9 ambi=2 { CB:37.642 } atom: 104 10I-HB B 2.041 ambi=1 { CB:37.872 } :: atom: 119 11N-HB3 B 2.811 ambi=2 { CB:37.642 } atom: 104 10I-HB B 2.041 ambi=1 { CB:37.872 } ::sumAvg: 4.86 atom: 104 10I-HB B 2.041 ambi=1 { CB:37.872 } atom: 120 11N-HD21 D2 7.558 ambi=1 { ND2:112.248 } :: atom: 104 10I-HB B 2.041 ambi=1 { CB:37.872 } atom: 121 11N-HD22 D2 6.881 ambi=1 { ND2:112.248 } ::sumAvg: 4.455 atom: 104 10I-HB B 2.041 ambi=1 { CB:37.872 } atom: 128 12E-H N 8.528 ambi=1 { N:124.689 } ::sumAvg: 4.99 atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } atom: 104 10I-HB B 2.041 ambi=1 { CB:37.872 } ::sumAvg: 4.96 atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } atom: 104 10I-HB B 2.041 ambi=1 { CB:37.872 } :: atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } atom: 104 10I-HB B 2.041 ambi=1 { CB:37.872 } ::sumAvg: 4.575 atom: 105 10I-HG12 G1 1.905 ambi=2 { CG1:31.233 } atom: 116 11N-H N 8.161 ambi=1 { N:119.357 } :: atom: 106 10I-HG13 G1 0.917 ambi=2 { CG1:31.233 } atom: 116 11N-H N 8.161 ambi=1 { N:119.357 } ::sumAvg: 4.305 atom: 105 10I-HG12 G1 1.905 ambi=2 { CG1:31.233 } atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } :: atom: 106 10I-HG13 G1 0.917 ambi=2 { CG1:31.233 } atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } ::sumAvg: 3.675 atom: 105 10I-HG12 G1 1.905 ambi=2 { CG1:31.233 } atom: 327 30Q-HG2 G 2.358 ambi=2 { CG:33.681 } :: atom: 106 10I-HG13 G1 0.917 ambi=2 { CG1:31.233 } atom: 327 30Q-HG2 G 2.358 ambi=2 { CG:33.681 } :: atom: 106 10I-HG13 G1 0.917 ambi=2 { CG1:31.233 } atom: 328 30Q-HG3 G 2.185 ambi=2 { CG:33.681 } ::sumAvg: 3.52 atom: 105 10I-HG12 G1 1.905 ambi=2 { CG1:31.233 } atom: 370 33L-H N 8.617 ambi=1 { N:120.088 } :: atom: 106 10I-HG13 G1 0.917 ambi=2 { CG1:31.233 } atom: 370 33L-H N 8.617 ambi=1 { N:120.088 } ::sumAvg: 4.905 atom: 105 10I-HG12 G1 1.905 ambi=2 { CG1:31.233 } atom: 371 33L-HA A 4.153 ambi=1 { CA:57.774 } :: atom: 106 10I-HG13 G1 0.917 ambi=2 { CG1:31.233 } atom: 371 33L-HA A 4.153 ambi=1 { CA:57.774 } ::sumAvg: 4.915 atom: 105 10I-HG12 G1 1.905 ambi=2 { CG1:31.233 } atom: 385 34R-HA A 4.009 ambi=1 { CA:59.839 } :: atom: 106 10I-HG13 G1 0.917 ambi=2 { CG1:31.233 } atom: 385 34R-HA A 4.009 ambi=1 { CA:59.839 } ::sumAvg: 4.34 atom: 106 10I-HG13 G1 0.917 ambi=2 { CG1:31.233 } atom: 388 34R-HG2 G 1.826 ambi=2 { CG:27.894 } :: atom: 106 10I-HG13 G1 0.917 ambi=2 { CG1:31.233 } atom: 389 34R-HG3 G 1.607 ambi=2 { CG:27.894 } ::sumAvg: 3.515 atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } atom: 118 11N-HB2 B 2.9 ambi=2 { CB:37.642 } :: atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } atom: 119 11N-HB3 B 2.811 ambi=2 { CB:37.642 } ::sumAvg: 4.995 atom: 118 11N-HB2 B 2.9 ambi=2 { CB:37.642 } atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } :: atom: 119 11N-HB3 B 2.811 ambi=2 { CB:37.642 } atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } ::sumAvg: 4.995 atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } atom: 120 11N-HD21 D2 7.558 ambi=1 { ND2:112.248 } :: atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } atom: 121 11N-HD22 D2 6.881 ambi=1 { ND2:112.248 } ::sumAvg: 4.825 atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } atom: 139 13L-H N 8.669 ambi=1 { N:119.467 } ::sumAvg: 4.895 atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } atom: 153 14A-H N 8.326 ambi=1 { N:122.29 } ::sumAvg: 3.885 atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } atom: 154 14A-HA A 4.076 ambi=1 { CA:55.1 } ::sumAvg: 4.86 atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } ::sumAvg: 4.5 atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } atom: 327 30Q-HG2 G 2.358 ambi=2 { CG:33.681 } :: atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } atom: 328 30Q-HG3 G 2.185 ambi=2 { CG:33.681 } ::sumAvg: 2.965 atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } atom: 329 30Q-HE21 E2 7.659 ambi=1 { NE2:108.422 } ::sumAvg: 4.525 atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } atom: 385 34R-HA A 4.009 ambi=1 { CA:59.839 } ::sumAvg: 4.185 atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } atom: 388 34R-HG2 G 1.826 ambi=2 { CG:27.894 } :: atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } atom: 389 34R-HG3 G 1.607 ambi=2 { CG:27.894 } ::sumAvg: 3 atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } atom: 390 34R-HD2 D 3.202 ambi=2 { CD:43.454 } :: atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } atom: 391 34R-HD3 D 3.147 ambi=2 { CD:43.454 } ::sumAvg: 3.595 atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } :: atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } ::sumAvg: 4.68 atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } :: atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } ::sumAvg: 4.68 atom: 107 10I-HG2 G2 0.794 ambi=1 { CG2:16.531 } atom: 428 37Y-QD D 7.026 ambi=3 { CD1:132.917 } ::sumAvg: 4.715 atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } atom: 116 11N-H N 8.161 ambi=1 { N:119.357 } ::sumAvg: 4.545 atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } ::sumAvg: 4.87 atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } ::sumAvg: 4.87 atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } atom: 327 30Q-HG2 G 2.358 ambi=2 { CG:33.681 } :: atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } atom: 328 30Q-HG3 G 2.185 ambi=2 { CG:33.681 } ::sumAvg: 4.67 atom: 327 30Q-HG2 G 2.358 ambi=2 { CG:33.681 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } :: atom: 328 30Q-HG3 G 2.185 ambi=2 { CG:33.681 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } ::sumAvg: 4.67 atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } atom: 370 33L-H N 8.617 ambi=1 { N:120.088 } ::sumAvg: 4.95 atom: 374 33L-HG G 1.904 ambi=1 { CG:27.026 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } ::sumAvg: 4.885 atom: 386 34R-HB2 B 1.961 ambi=2 { CB:29.772 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } :: atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } ::sumAvg: 4.45 atom: 390 34R-HD2 D 3.202 ambi=2 { CD:43.454 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } :: atom: 391 34R-HD3 D 3.147 ambi=2 { CD:43.454 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } ::sumAvg: 4.72 atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } atom: 415 36E-HB2 B 2.172 ambi=2 { CB:29.75 } :: atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } atom: 416 36E-HB3 B 2.1 ambi=2 { CB:29.75 } ::sumAvg: 4.375 atom: 415 36E-HB2 B 2.172 ambi=2 { CB:29.75 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } :: atom: 416 36E-HB3 B 2.1 ambi=2 { CB:29.75 } atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } ::sumAvg: 4.375 atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } atom: 424 37Y-H N 8.578 ambi=1 { N:120.782 } ::sumAvg: 3.87 atom: 108 10I-HD1 D1 0.682 ambi=1 { CD1:13.401 } atom: 430 37Y-QE E 6.763 ambi=3 { CE1:118.294 } ::sumAvg: 4.46 atom: 130 12E-HB2 B 2.264 ambi=2 { CB:30.026 } atom: 116 11N-H N 8.161 ambi=1 { N:119.357 } :: atom: 131 12E-HB3 B 2.185 ambi=2 { CB:30.026 } atom: 116 11N-H N 8.161 ambi=1 { N:119.357 } ::sumAvg: 4.895 atom: 117 11N-HA A 4.485 ambi=1 { CA:55.961 } atom: 120 11N-HD21 D2 7.558 ambi=1 { ND2:112.248 } :: atom: 117 11N-HA A 4.485 ambi=1 { CA:55.961 } atom: 121 11N-HD22 D2 6.881 ambi=1 { ND2:112.248 } ::sumAvg: 4.1 atom: 117 11N-HA A 4.485 ambi=1 { CA:55.961 } atom: 139 13L-H N 8.669 ambi=1 { N:119.467 } ::sumAvg: 4.755 atom: 118 11N-HB2 B 2.9 ambi=2 { CB:37.642 } atom: 129 12E-HA A 4.111 ambi=1 { CA:59.252 } :: atom: 119 11N-HB3 B 2.811 ambi=2 { CB:37.642 } atom: 129 12E-HA A 4.111 ambi=1 { CA:59.252 } ::sumAvg: 4.415 atom: 129 12E-HA A 4.111 ambi=1 { CA:59.252 } atom: 118 11N-HB2 B 2.9 ambi=2 { CB:37.642 } :: atom: 129 12E-HA A 4.111 ambi=1 { CA:59.252 } atom: 119 11N-HB3 B 2.811 ambi=2 { CB:37.642 } ::sumAvg: 4.415 atom: 118 11N-HB2 B 2.9 ambi=2 { CB:37.642 } atom: 130 12E-HB2 B 2.264 ambi=2 { CB:30.026 } :: atom: 118 11N-HB2 B 2.9 ambi=2 { CB:37.642 } atom: 131 12E-HB3 B 2.185 ambi=2 { CB:30.026 } :: atom: 119 11N-HB3 B 2.811 ambi=2 { CB:37.642 } atom: 130 12E-HB2 B 2.264 ambi=2 { CB:30.026 } :: atom: 119 11N-HB3 B 2.811 ambi=2 { CB:37.642 } atom: 131 12E-HB3 B 2.185 ambi=2 { CB:30.026 } ::sumAvg: 4.455 atom: 130 12E-HB2 B 2.264 ambi=2 { CB:30.026 } atom: 118 11N-HB2 B 2.9 ambi=2 { CB:37.642 } :: atom: 131 12E-HB3 B 2.185 ambi=2 { CB:30.026 } atom: 118 11N-HB2 B 2.9 ambi=2 { CB:37.642 } :: atom: 130 12E-HB2 B 2.264 ambi=2 { CB:30.026 } atom: 119 11N-HB3 B 2.811 ambi=2 { CB:37.642 } :: atom: 131 12E-HB3 B 2.185 ambi=2 { CB:30.026 } atom: 119 11N-HB3 B 2.811 ambi=2 { CB:37.642 } ::sumAvg: 4.455 atom: 141 13L-HB2 B 1.939 ambi=2 { CB:41.16 } atom: 128 12E-H N 8.528 ambi=1 { N:124.689 } :: atom: 142 13L-HB3 B 1.199 ambi=2 { CB:41.16 } atom: 128 12E-H N 8.528 ambi=1 { N:124.689 } ::sumAvg: 4.92 atom: 143 13L-HG G 1.772 ambi=1 { CG:26.709 } atom: 128 12E-H N 8.528 ambi=1 { N:124.689 } ::sumAvg: 4.55 atom: 129 12E-HA A 4.111 ambi=1 { CA:59.252 } atom: 153 14A-H N 8.326 ambi=1 { N:122.29 } ::sumAvg: 4.495 atom: 171 16K-HG2 G 1.775 ambi=2 { CG:26.123 } atom: 129 12E-HA A 4.111 ambi=1 { CA:59.252 } :: atom: 172 16K-HG3 G 1.32 ambi=2 { CG:26.123 } atom: 129 12E-HA A 4.111 ambi=1 { CA:59.252 } ::sumAvg: 4.26 atom: 130 12E-HB2 B 2.264 ambi=2 { CB:30.026 } atom: 140 13L-HA A 3.948 ambi=1 { CA:57.835 } :: atom: 131 12E-HB3 B 2.185 ambi=2 { CB:30.026 } atom: 140 13L-HA A 3.948 ambi=1 { CA:57.835 } ::sumAvg: 4.29 atom: 140 13L-HA A 3.948 ambi=1 { CA:57.835 } atom: 130 12E-HB2 B 2.264 ambi=2 { CB:30.026 } :: atom: 140 13L-HA A 3.948 ambi=1 { CA:57.835 } atom: 131 12E-HB3 B 2.185 ambi=2 { CB:30.026 } ::sumAvg: 4.29 atom: 130 12E-HB2 B 2.264 ambi=2 { CB:30.026 } atom: 142 13L-HB3 B 1.199 ambi=2 { CB:41.16 } :: atom: 131 12E-HB3 B 2.185 ambi=2 { CB:30.026 } atom: 142 13L-HB3 B 1.199 ambi=2 { CB:41.16 } ::sumAvg: 4.675 atom: 142 13L-HB3 B 1.199 ambi=2 { CB:41.16 } atom: 130 12E-HB2 B 2.264 ambi=2 { CB:30.026 } :: atom: 142 13L-HB3 B 1.199 ambi=2 { CB:41.16 } atom: 131 12E-HB3 B 2.185 ambi=2 { CB:30.026 } ::sumAvg: 4.675 atom: 130 12E-HB2 B 2.264 ambi=2 { CB:30.026 } atom: 143 13L-HG G 1.772 ambi=1 { CG:26.709 } :: atom: 131 12E-HB3 B 2.185 ambi=2 { CB:30.026 } atom: 143 13L-HG G 1.772 ambi=1 { CG:26.709 } ::sumAvg: 3.2 atom: 130 12E-HB2 B 2.264 ambi=2 { CB:30.026 } atom: 153 14A-H N 8.326 ambi=1 { N:122.29 } :: atom: 131 12E-HB3 B 2.185 ambi=2 { CB:30.026 } atom: 153 14A-H N 8.326 ambi=1 { N:122.29 } ::sumAvg: 4.785 atom: 140 13L-HA A 3.948 ambi=1 { CA:57.835 } atom: 132 12E-HG2 G 2.388 ambi=2 { CG:36.091 } :: atom: 140 13L-HA A 3.948 ambi=1 { CA:57.835 } atom: 133 12E-HG3 G 2.01 ambi=2 { CG:36.091 } ::sumAvg: 3.52 atom: 132 12E-HG2 G 2.388 ambi=2 { CG:36.091 } atom: 144 13L-HD1 D1 0.778 ambi=2 { CD1:25.584 } :: atom: 132 12E-HG2 G 2.388 ambi=2 { CG:36.091 } atom: 145 13L-HD2 D2 0.749 ambi=2 { CD2:21.656 } :: atom: 133 12E-HG3 G 2.01 ambi=2 { CG:36.091 } atom: 144 13L-HD1 D1 0.778 ambi=2 { CD1:25.584 } :: atom: 133 12E-HG3 G 2.01 ambi=2 { CG:36.091 } atom: 145 13L-HD2 D2 0.749 ambi=2 { CD2:21.656 } ::sumAvg: 3.08 atom: 162 15A-HB B 1.545 ambi=1 { CB:17.568 } atom: 132 12E-HG2 G 2.388 ambi=2 { CG:36.091 } :: atom: 162 15A-HB B 1.545 ambi=1 { CB:17.568 } atom: 133 12E-HG3 G 2.01 ambi=2 { CG:36.091 } ::sumAvg: 4.255 atom: 132 12E-HG2 G 2.388 ambi=2 { CG:36.091 } atom: 167 16K-H N 7.977 ambi=1 { N:120.084 } :: atom: 133 12E-HG3 G 2.01 ambi=2 { CG:36.091 } atom: 167 16K-H N 7.977 ambi=1 { N:120.084 } ::sumAvg: 4.62 atom: 173 16K-HD2 D 1.663 ambi=2 { CD:29.898 } atom: 132 12E-HG2 G 2.388 ambi=2 { CG:36.091 } :: atom: 174 16K-HD3 D 1.548 ambi=2 { CD:29.898 } atom: 132 12E-HG2 G 2.388 ambi=2 { CG:36.091 } :: atom: 174 16K-HD3 D 1.548 ambi=2 { CD:29.898 } atom: 133 12E-HG3 G 2.01 ambi=2 { CG:36.091 } ::sumAvg: 2.93 atom: 155 14A-HB B 1.525 ambi=1 { CB:17.838 } atom: 139 13L-H N 8.669 ambi=1 { N:119.467 } ::sumAvg: 4.35 atom: 162 15A-HB B 1.545 ambi=1 { CB:17.568 } atom: 139 13L-H N 8.669 ambi=1 { N:119.467 } ::sumAvg: 4.93 atom: 171 16K-HG2 G 1.775 ambi=2 { CG:26.123 } atom: 139 13L-H N 8.669 ambi=1 { N:119.467 } :: atom: 172 16K-HG3 G 1.32 ambi=2 { CG:26.123 } atom: 139 13L-H N 8.669 ambi=1 { N:119.467 } ::sumAvg: 4.83 atom: 140 13L-HA A 3.948 ambi=1 { CA:57.835 } atom: 160 15A-H N 7.794 ambi=1 { N:121.829 } ::sumAvg: 4.39 atom: 162 15A-HB B 1.545 ambi=1 { CB:17.568 } atom: 140 13L-HA A 3.948 ambi=1 { CA:57.835 } ::sumAvg: 4.71 atom: 171 16K-HG2 G 1.775 ambi=2 { CG:26.123 } atom: 140 13L-HA A 3.948 ambi=1 { CA:57.835 } :: atom: 172 16K-HG3 G 1.32 ambi=2 { CG:26.123 } atom: 140 13L-HA A 3.948 ambi=1 { CA:57.835 } ::sumAvg: 2.92 atom: 140 13L-HA A 3.948 ambi=1 { CA:57.835 } atom: 175 16K-HE2 E 2.936 ambi=2 { CE:42.03 } :: atom: 140 13L-HA A 3.948 ambi=1 { CA:57.835 } atom: 176 16K-HE3 E 2.859 ambi=2 { CE:42.03 } ::sumAvg: 3.965 atom: 186 17A-HB B 1.573 ambi=1 { CB:17.858 } atom: 140 13L-HA A 3.948 ambi=1 { CA:57.835 } ::sumAvg: 4.785 atom: 234 22I-HB B 1.287 ambi=1 { CB:40.142 } atom: 140 13L-HA A 3.948 ambi=1 { CA:57.835 } ::sumAvg: 4.295 atom: 235 22I-HG12 G1 1.799 ambi=2 { CG1:30.502 } atom: 140 13L-HA A 3.948 ambi=1 { CA:57.835 } :: atom: 236 22I-HG13 G1 1.628 ambi=2 { CG1:30.502 } atom: 140 13L-HA A 3.948 ambi=1 { CA:57.835 } ::sumAvg: 4.085 atom: 279 26E-HB2 B 2.46 ambi=2 { CB:30.606 } atom: 140 13L-HA A 3.948 ambi=1 { CA:57.835 } :: atom: 280 26E-HB3 B 1.745 ambi=2 { CB:30.606 } atom: 140 13L-HA A 3.948 ambi=1 { CA:57.835 } ::sumAvg: 4.365 atom: 141 13L-HB2 B 1.939 ambi=2 { CB:41.16 } atom: 154 14A-HA A 4.076 ambi=1 { CA:55.1 } :: atom: 142 13L-HB3 B 1.199 ambi=2 { CB:41.16 } atom: 154 14A-HA A 4.076 ambi=1 { CA:55.1 } ::sumAvg: 4.37 atom: 154 14A-HA A 4.076 ambi=1 { CA:55.1 } atom: 141 13L-HB2 B 1.939 ambi=2 { CB:41.16 } :: atom: 154 14A-HA A 4.076 ambi=1 { CA:55.1 } atom: 142 13L-HB3 B 1.199 ambi=2 { CB:41.16 } ::sumAvg: 4.37 atom: 155 14A-HB B 1.525 ambi=1 { CB:17.838 } atom: 141 13L-HB2 B 1.939 ambi=2 { CB:41.16 } ::sumAvg: 4.17 atom: 142 13L-HB3 B 1.199 ambi=2 { CB:41.16 } atom: 173 16K-HD2 D 1.663 ambi=2 { CD:29.898 } ::sumAvg: 4.215 atom: 173 16K-HD2 D 1.663 ambi=2 { CD:29.898 } atom: 142 13L-HB3 B 1.199 ambi=2 { CB:41.16 } ::sumAvg: 4.215 atom: 141 13L-HB2 B 1.939 ambi=2 { CB:41.16 } atom: 184 17A-H N 8.527 ambi=1 { N:123.164 } :: atom: 142 13L-HB3 B 1.199 ambi=2 { CB:41.16 } atom: 184 17A-H N 8.527 ambi=1 { N:123.164 } ::sumAvg: 4.825 atom: 141 13L-HB2 B 1.939 ambi=2 { CB:41.16 } atom: 234 22I-HB B 1.287 ambi=1 { CB:40.142 } ::sumAvg: 4.865 atom: 235 22I-HG12 G1 1.799 ambi=2 { CG1:30.502 } atom: 142 13L-HB3 B 1.199 ambi=2 { CB:41.16 } :: atom: 236 22I-HG13 G1 1.628 ambi=2 { CG1:30.502 } atom: 142 13L-HB3 B 1.199 ambi=2 { CB:41.16 } ::sumAvg: 4.035 atom: 279 26E-HB2 B 2.46 ambi=2 { CB:30.606 } atom: 141 13L-HB2 B 1.939 ambi=2 { CB:41.16 } :: atom: 279 26E-HB2 B 2.46 ambi=2 { CB:30.606 } atom: 142 13L-HB3 B 1.199 ambi=2 { CB:41.16 } :: atom: 280 26E-HB3 B 1.745 ambi=2 { CB:30.606 } atom: 142 13L-HB3 B 1.199 ambi=2 { CB:41.16 } ::sumAvg: 3.83 atom: 141 13L-HB2 B 1.939 ambi=2 { CB:41.16 } atom: 323 30Q-H N 8.891 ambi=1 { N:119.325 } :: atom: 142 13L-HB3 B 1.199 ambi=2 { CB:41.16 } atom: 323 30Q-H N 8.891 ambi=1 { N:119.325 } ::sumAvg: 4.795 atom: 141 13L-HB2 B 1.939 ambi=2 { CB:41.16 } atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } :: atom: 142 13L-HB3 B 1.199 ambi=2 { CB:41.16 } atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } ::sumAvg: 4.16 atom: 141 13L-HB2 B 1.939 ambi=2 { CB:41.16 } atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } :: atom: 141 13L-HB2 B 1.939 ambi=2 { CB:41.16 } atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } ::sumAvg: 4.345 atom: 143 13L-HG G 1.772 ambi=1 { CG:26.709 } atom: 153 14A-H N 8.326 ambi=1 { N:122.29 } ::sumAvg: 4.36 atom: 143 13L-HG G 1.772 ambi=1 { CG:26.709 } atom: 279 26E-HB2 B 2.46 ambi=2 { CB:30.606 } ::sumAvg: 4.71 atom: 325 30Q-HB2 B 2.398 ambi=2 { CB:29.404 } atom: 143 13L-HG G 1.772 ambi=1 { CG:26.709 } ::sumAvg: 4.415 atom: 143 13L-HG G 1.772 ambi=1 { CG:26.709 } atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } :: atom: 143 13L-HG G 1.772 ambi=1 { CG:26.709 } atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } ::sumAvg: 4.04 atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } atom: 143 13L-HG G 1.772 ambi=1 { CG:26.709 } :: atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } atom: 143 13L-HG G 1.772 ambi=1 { CG:26.709 } ::sumAvg: 4.04 atom: 144 13L-HD1 D1 0.778 ambi=2 { CD1:25.584 } atom: 153 14A-H N 8.326 ambi=1 { N:122.29 } :: atom: 145 13L-HD2 D2 0.749 ambi=2 { CD2:21.656 } atom: 153 14A-H N 8.326 ambi=1 { N:122.29 } ::sumAvg: 4.59 atom: 144 13L-HD1 D1 0.778 ambi=2 { CD1:25.584 } atom: 167 16K-H N 7.977 ambi=1 { N:120.084 } :: atom: 145 13L-HD2 D2 0.749 ambi=2 { CD2:21.656 } atom: 167 16K-H N 7.977 ambi=1 { N:120.084 } ::sumAvg: 4.67 atom: 171 16K-HG2 G 1.775 ambi=2 { CG:26.123 } atom: 144 13L-HD1 D1 0.778 ambi=2 { CD1:25.584 } :: atom: 172 16K-HG3 G 1.32 ambi=2 { CG:26.123 } atom: 144 13L-HD1 D1 0.778 ambi=2 { CD1:25.584 } :: atom: 171 16K-HG2 G 1.775 ambi=2 { CG:26.123 } atom: 145 13L-HD2 D2 0.749 ambi=2 { CD2:21.656 } :: atom: 172 16K-HG3 G 1.32 ambi=2 { CG:26.123 } atom: 145 13L-HD2 D2 0.749 ambi=2 { CD2:21.656 } ::sumAvg: 3.635 atom: 144 13L-HD1 D1 0.778 ambi=2 { CD1:25.584 } atom: 233 22I-HA A 4.347 ambi=1 { CA:61.285 } :: atom: 145 13L-HD2 D2 0.749 ambi=2 { CD2:21.656 } atom: 233 22I-HA A 4.347 ambi=1 { CA:61.285 } ::sumAvg: 4.555 atom: 144 13L-HD1 D1 0.778 ambi=2 { CD1:25.584 } atom: 234 22I-HB B 1.287 ambi=1 { CB:40.142 } :: atom: 145 13L-HD2 D2 0.749 ambi=2 { CD2:21.656 } atom: 234 22I-HB B 1.287 ambi=1 { CB:40.142 } ::sumAvg: 4.285 atom: 144 13L-HD1 D1 0.778 ambi=2 { CD1:25.584 } atom: 246 23T-H N 9.104 ambi=1 { N:120.184 } :: atom: 145 13L-HD2 D2 0.749 ambi=2 { CD2:21.656 } atom: 246 23T-H N 9.104 ambi=1 { N:120.184 } ::sumAvg: 4.835 atom: 144 13L-HD1 D1 0.778 ambi=2 { CD1:25.584 } atom: 312 29E-H N 7.915 ambi=1 { N:122.691 } :: atom: 145 13L-HD2 D2 0.749 ambi=2 { CD2:21.656 } atom: 312 29E-H N 7.915 ambi=1 { N:122.691 } ::sumAvg: 4.39 atom: 313 29E-HA A 3.971 ambi=1 { CA:59.269 } atom: 144 13L-HD1 D1 0.778 ambi=2 { CD1:25.584 } :: atom: 313 29E-HA A 3.971 ambi=1 { CA:59.269 } atom: 145 13L-HD2 D2 0.749 ambi=2 { CD2:21.656 } ::sumAvg: 4.635 atom: 144 13L-HD1 D1 0.778 ambi=2 { CD1:25.584 } atom: 329 30Q-HE21 E2 7.659 ambi=1 { NE2:108.422 } :: atom: 145 13L-HD2 D2 0.749 ambi=2 { CD2:21.656 } atom: 329 30Q-HE21 E2 7.659 ambi=1 { NE2:108.422 } ::sumAvg: 4.36 atom: 144 13L-HD1 D1 0.778 ambi=2 { CD1:25.584 } atom: 338 31Q-H N 7.874 ambi=1 { N:118.01 } :: atom: 145 13L-HD2 D2 0.749 ambi=2 { CD2:21.656 } atom: 338 31Q-H N 7.874 ambi=1 { N:118.01 } ::sumAvg: 4.67 atom: 374 33L-HG G 1.904 ambi=1 { CG:27.026 } atom: 144 13L-HD1 D1 0.778 ambi=2 { CD1:25.584 } :: atom: 374 33L-HG G 1.904 ambi=1 { CG:27.026 } atom: 145 13L-HD2 D2 0.749 ambi=2 { CD2:21.656 } ::sumAvg: 4.03 atom: 169 16K-HB2 B 1.896 ambi=2 { CB:32.727 } atom: 153 14A-H N 8.326 ambi=1 { N:122.29 } :: atom: 170 16K-HB3 B 1.514 ambi=2 { CB:32.727 } atom: 153 14A-H N 8.326 ambi=1 { N:122.29 } ::sumAvg: 4.96 atom: 238 22I-HD1 D1 0.809 ambi=1 { CD1:13.758 } atom: 153 14A-H N 8.326 ambi=1 { N:122.29 } ::sumAvg: 4.74 atom: 327 30Q-HG2 G 2.358 ambi=2 { CG:33.681 } atom: 153 14A-H N 8.326 ambi=1 { N:122.29 } :: atom: 328 30Q-HG3 G 2.185 ambi=2 { CG:33.681 } atom: 153 14A-H N 8.326 ambi=1 { N:122.29 } ::sumAvg: 4.55 atom: 154 14A-HA A 4.076 ambi=1 { CA:55.1 } atom: 167 16K-H N 7.977 ambi=1 { N:120.084 } ::sumAvg: 4.475 atom: 238 22I-HD1 D1 0.809 ambi=1 { CD1:13.758 } atom: 154 14A-HA A 4.076 ambi=1 { CA:55.1 } ::sumAvg: 4.21 atom: 155 14A-HB B 1.525 ambi=1 { CB:17.838 } atom: 193 18K-HB2 B 1.943 ambi=2 { CB:32.4 } :: atom: 155 14A-HB B 1.525 ambi=1 { CB:17.838 } atom: 194 18K-HB3 B 1.93 ambi=2 { CB:32.4 } ::sumAvg: 4.875 atom: 155 14A-HB B 1.525 ambi=1 { CB:17.838 } atom: 327 30Q-HG2 G 2.358 ambi=2 { CG:33.681 } :: atom: 155 14A-HB B 1.525 ambi=1 { CB:17.838 } atom: 328 30Q-HG3 G 2.185 ambi=2 { CG:33.681 } ::sumAvg: 4.605 atom: 327 30Q-HG2 G 2.358 ambi=2 { CG:33.681 } atom: 155 14A-HB B 1.525 ambi=1 { CB:17.838 } :: atom: 328 30Q-HG3 G 2.185 ambi=2 { CG:33.681 } atom: 155 14A-HB B 1.525 ambi=1 { CB:17.838 } ::sumAvg: 4.605 atom: 171 16K-HG2 G 1.775 ambi=2 { CG:26.123 } atom: 160 15A-H N 7.794 ambi=1 { N:121.829 } :: atom: 172 16K-HG3 G 1.32 ambi=2 { CG:26.123 } atom: 160 15A-H N 7.794 ambi=1 { N:121.829 } ::sumAvg: 4.485 atom: 199 18K-QE E 2.979 ambi=2 { CE:42.185 } atom: 160 15A-H N 7.794 ambi=1 { N:121.829 } ::sumAvg: 4.95 atom: 197 18K-QD D 1.701 ambi=2 { CD:29.364 } atom: 161 15A-HA A 4.176 ambi=1 { CA:55.196 } ::sumAvg: 3.425 atom: 161 15A-HA A 4.176 ambi=1 { CA:55.196 } atom: 199 18K-QE E 2.979 ambi=2 { CE:42.185 } ::sumAvg: 2.985 atom: 210 19A-HB B 1.544 ambi=1 { CB:19.483 } atom: 161 15A-HA A 4.176 ambi=1 { CA:55.196 } ::sumAvg: 4.57 atom: 173 16K-HD2 D 1.663 ambi=2 { CD:29.898 } atom: 167 16K-H N 7.977 ambi=1 { N:120.084 } :: atom: 174 16K-HD3 D 1.548 ambi=2 { CD:29.898 } atom: 167 16K-H N 7.977 ambi=1 { N:120.084 } ::sumAvg: 3.995 atom: 175 16K-HE2 E 2.936 ambi=2 { CE:42.03 } atom: 167 16K-H N 7.977 ambi=1 { N:120.084 } :: atom: 176 16K-HE3 E 2.859 ambi=2 { CE:42.03 } atom: 167 16K-H N 7.977 ambi=1 { N:120.084 } ::sumAvg: 4.95 atom: 210 19A-HB B 1.544 ambi=1 { CB:19.483 } atom: 167 16K-H N 7.977 ambi=1 { N:120.084 } ::sumAvg: 4.55 atom: 224 21V-HG1 G1 0.858 ambi=2 { CG1:20.969 } atom: 167 16K-H N 7.977 ambi=1 { N:120.084 } :: atom: 225 21V-HG2 G2 0.859 ambi=2 { CG2:18.785 } atom: 167 16K-H N 7.977 ambi=1 { N:120.084 } ::sumAvg: 4.36 atom: 234 22I-HB B 1.287 ambi=1 { CB:40.142 } atom: 167 16K-H N 7.977 ambi=1 { N:120.084 } ::sumAvg: 4.685 atom: 238 22I-HD1 D1 0.809 ambi=1 { CD1:13.758 } atom: 167 16K-H N 7.977 ambi=1 { N:120.084 } ::sumAvg: 4.615 atom: 173 16K-HD2 D 1.663 ambi=2 { CD:29.898 } atom: 168 16K-HA A 4.026 ambi=1 { CA:59.878 } :: atom: 174 16K-HD3 D 1.548 ambi=2 { CD:29.898 } atom: 168 16K-HA A 4.026 ambi=1 { CA:59.878 } ::sumAvg: 4.415 atom: 168 16K-HA A 4.026 ambi=1 { CA:59.878 } atom: 191 18K-H N 8.125 ambi=1 { N:120.927 } ::sumAvg: 4.62 atom: 168 16K-HA A 4.026 ambi=1 { CA:59.878 } atom: 232 22I-H N 6.842 ambi=1 { N:124.02 } ::sumAvg: 4.465 atom: 185 17A-HA A 4.026 ambi=1 { CA:54.993 } atom: 169 16K-HB2 B 1.896 ambi=2 { CB:32.727 } :: atom: 185 17A-HA A 4.026 ambi=1 { CA:54.993 } atom: 170 16K-HB3 B 1.514 ambi=2 { CB:32.727 } ::sumAvg: 4.365 atom: 169 16K-HB2 B 1.896 ambi=2 { CB:32.727 } atom: 246 23T-H N 9.104 ambi=1 { N:120.184 } :: atom: 170 16K-HB3 B 1.514 ambi=2 { CB:32.727 } atom: 246 23T-H N 9.104 ambi=1 { N:120.184 } ::sumAvg: 4.865 atom: 171 16K-HG2 G 1.775 ambi=2 { CG:26.123 } atom: 184 17A-H N 8.527 ambi=1 { N:123.164 } :: atom: 172 16K-HG3 G 1.32 ambi=2 { CG:26.123 } atom: 184 17A-H N 8.527 ambi=1 { N:123.164 } ::sumAvg: 4.345 atom: 223 21V-HB B 2.424 ambi=1 { CB:32.525 } atom: 171 16K-HG2 G 1.775 ambi=2 { CG:26.123 } :: atom: 223 21V-HB B 2.424 ambi=1 { CB:32.525 } atom: 172 16K-HG3 G 1.32 ambi=2 { CG:26.123 } ::sumAvg: 4.83 atom: 171 16K-HG2 G 1.775 ambi=2 { CG:26.123 } atom: 233 22I-HA A 4.347 ambi=1 { CA:61.285 } :: atom: 172 16K-HG3 G 1.32 ambi=2 { CG:26.123 } atom: 233 22I-HA A 4.347 ambi=1 { CA:61.285 } ::sumAvg: 4.705 atom: 171 16K-HG2 G 1.775 ambi=2 { CG:26.123 } atom: 238 22I-HD1 D1 0.809 ambi=1 { CD1:13.758 } :: atom: 172 16K-HG3 G 1.32 ambi=2 { CG:26.123 } atom: 238 22I-HD1 D1 0.809 ambi=1 { CD1:13.758 } ::sumAvg: 4.925 atom: 238 22I-HD1 D1 0.809 ambi=1 { CD1:13.758 } atom: 173 16K-HD2 D 1.663 ambi=2 { CD:29.898 } :: atom: 238 22I-HD1 D1 0.809 ambi=1 { CD1:13.758 } atom: 174 16K-HD3 D 1.548 ambi=2 { CD:29.898 } ::sumAvg: 3.905 atom: 173 16K-HD2 D 1.663 ambi=2 { CD:29.898 } atom: 246 23T-H N 9.104 ambi=1 { N:120.184 } :: atom: 174 16K-HD3 D 1.548 ambi=2 { CD:29.898 } atom: 246 23T-H N 9.104 ambi=1 { N:120.184 } ::sumAvg: 4.705 atom: 173 16K-HD2 D 1.663 ambi=2 { CD:29.898 } atom: 279 26E-HB2 B 2.46 ambi=2 { CB:30.606 } :: atom: 174 16K-HD3 D 1.548 ambi=2 { CD:29.898 } atom: 279 26E-HB2 B 2.46 ambi=2 { CB:30.606 } ::sumAvg: 3.915 atom: 173 16K-HD2 D 1.663 ambi=2 { CD:29.898 } atom: 281 26E-HG2 G 2.354 ambi=2 { CG:37.538 } :: atom: 173 16K-HD2 D 1.663 ambi=2 { CD:29.898 } atom: 282 26E-HG3 G 2.073 ambi=2 { CG:37.538 } :: atom: 174 16K-HD3 D 1.548 ambi=2 { CD:29.898 } atom: 281 26E-HG2 G 2.354 ambi=2 { CG:37.538 } :: atom: 174 16K-HD3 D 1.548 ambi=2 { CD:29.898 } atom: 282 26E-HG3 G 2.073 ambi=2 { CG:37.538 } ::sumAvg: 4.265 atom: 281 26E-HG2 G 2.354 ambi=2 { CG:37.538 } atom: 173 16K-HD2 D 1.663 ambi=2 { CD:29.898 } :: atom: 282 26E-HG3 G 2.073 ambi=2 { CG:37.538 } atom: 173 16K-HD2 D 1.663 ambi=2 { CD:29.898 } :: atom: 281 26E-HG2 G 2.354 ambi=2 { CG:37.538 } atom: 174 16K-HD3 D 1.548 ambi=2 { CD:29.898 } :: atom: 282 26E-HG3 G 2.073 ambi=2 { CG:37.538 } atom: 174 16K-HD3 D 1.548 ambi=2 { CD:29.898 } ::sumAvg: 4.265 atom: 210 19A-HB B 1.544 ambi=1 { CB:19.483 } atom: 184 17A-H N 8.527 ambi=1 { N:123.164 } ::sumAvg: 4.74 atom: 224 21V-HG1 G1 0.858 ambi=2 { CG1:20.969 } atom: 184 17A-H N 8.527 ambi=1 { N:123.164 } :: atom: 225 21V-HG2 G2 0.859 ambi=2 { CG2:18.785 } atom: 184 17A-H N 8.527 ambi=1 { N:123.164 } ::sumAvg: 4.765 atom: 237 22I-HG2 G2 0.87 ambi=1 { CG2:15.723 } atom: 184 17A-H N 8.527 ambi=1 { N:123.164 } ::sumAvg: 3.64 atom: 185 17A-HA A 4.026 ambi=1 { CA:54.993 } atom: 238 22I-HD1 D1 0.809 ambi=1 { CD1:13.758 } ::sumAvg: 3.5 atom: 238 22I-HD1 D1 0.809 ambi=1 { CD1:13.758 } atom: 185 17A-HA A 4.026 ambi=1 { CA:54.993 } ::sumAvg: 3.5 atom: 197 18K-QD D 1.701 ambi=2 { CD:29.364 } atom: 191 18K-H N 8.125 ambi=1 { N:120.927 } ::sumAvg: 3.43 atom: 199 18K-QE E 2.979 ambi=2 { CE:42.185 } atom: 191 18K-H N 8.125 ambi=1 { N:120.927 } ::sumAvg: 3.995 atom: 210 19A-HB B 1.544 ambi=1 { CB:19.483 } atom: 191 18K-H N 8.125 ambi=1 { N:120.927 } ::sumAvg: 4.335 atom: 192 18K-HA A 4.053 ambi=1 { CA:58.961 } atom: 199 18K-QE E 2.979 ambi=2 { CE:42.185 } ::sumAvg: 4.45 atom: 195 18K-HG2 G 1.557 ambi=2 { CG:25.038 } atom: 208 19A-H N 7.659 ambi=1 { N:118.3 } :: atom: 196 18K-HG3 G 1.476 ambi=2 { CG:25.038 } atom: 208 19A-H N 7.659 ambi=1 { N:118.3 } ::sumAvg: 4.45 atom: 209 19A-HA A 4.355 ambi=1 { CA:52.453 } atom: 217 20G-HA3 A 3.947 ambi=2 { CA:45.907 } ::sumAvg: 4.555 atom: 217 20G-HA3 A 3.947 ambi=2 { CA:45.907 } atom: 209 19A-HA A 4.355 ambi=1 { CA:52.453 } ::sumAvg: 4.555 atom: 210 19A-HB B 1.544 ambi=1 { CB:19.483 } atom: 216 20G-HA2 A 4.18 ambi=2 { CA:45.907 } :: atom: 210 19A-HB B 1.544 ambi=1 { CB:19.483 } atom: 217 20G-HA3 A 3.947 ambi=2 { CA:45.907 } ::sumAvg: 4.3 atom: 210 19A-HB B 1.544 ambi=1 { CB:19.483 } atom: 222 21V-HA A 4.608 ambi=1 { CA:60.158 } ::sumAvg: 4.795 atom: 222 21V-HA A 4.608 ambi=1 { CA:60.158 } atom: 210 19A-HB B 1.544 ambi=1 { CB:19.483 } ::sumAvg: 4.795 atom: 210 19A-HB B 1.544 ambi=1 { CB:19.483 } atom: 224 21V-HG1 G1 0.858 ambi=2 { CG1:20.969 } :: atom: 210 19A-HB B 1.544 ambi=1 { CB:19.483 } atom: 225 21V-HG2 G2 0.859 ambi=2 { CG2:18.785 } ::sumAvg: 2.225 atom: 210 19A-HB B 1.544 ambi=1 { CB:19.483 } atom: 232 22I-H N 6.842 ambi=1 { N:124.02 } ::sumAvg: 4.715 atom: 224 21V-HG1 G1 0.858 ambi=2 { CG1:20.969 } atom: 215 20G-H N 7.758 ambi=1 { N:105.949 } :: atom: 225 21V-HG2 G2 0.859 ambi=2 { CG2:18.785 } atom: 215 20G-H N 7.758 ambi=1 { N:105.949 } ::sumAvg: 3.66 atom: 234 22I-HB B 1.287 ambi=1 { CB:40.142 } atom: 215 20G-H N 7.758 ambi=1 { N:105.949 } ::sumAvg: 4.885 atom: 237 22I-HG2 G2 0.87 ambi=1 { CG2:15.723 } atom: 215 20G-H N 7.758 ambi=1 { N:105.949 } ::sumAvg: 3.85 atom: 222 21V-HA A 4.608 ambi=1 { CA:60.158 } atom: 216 20G-HA2 A 4.18 ambi=2 { CA:45.907 } :: atom: 222 21V-HA A 4.608 ambi=1 { CA:60.158 } atom: 217 20G-HA3 A 3.947 ambi=2 { CA:45.907 } ::sumAvg: 4.465 atom: 224 21V-HG1 G1 0.858 ambi=2 { CG1:20.969 } atom: 216 20G-HA2 A 4.18 ambi=2 { CA:45.907 } :: atom: 225 21V-HG2 G2 0.859 ambi=2 { CG2:18.785 } atom: 216 20G-HA2 A 4.18 ambi=2 { CA:45.907 } :: atom: 224 21V-HG1 G1 0.858 ambi=2 { CG1:20.969 } atom: 217 20G-HA3 A 3.947 ambi=2 { CA:45.907 } :: atom: 225 21V-HG2 G2 0.859 ambi=2 { CG2:18.785 } atom: 217 20G-HA3 A 3.947 ambi=2 { CA:45.907 } ::sumAvg: 4.03 atom: 216 20G-HA2 A 4.18 ambi=2 { CA:45.907 } atom: 232 22I-H N 6.842 ambi=1 { N:124.02 } :: atom: 217 20G-HA3 A 3.947 ambi=2 { CA:45.907 } atom: 232 22I-H N 6.842 ambi=1 { N:124.02 } ::sumAvg: 3.445 atom: 237 22I-HG2 G2 0.87 ambi=1 { CG2:15.723 } atom: 216 20G-HA2 A 4.18 ambi=2 { CA:45.907 } :: atom: 237 22I-HG2 G2 0.87 ambi=1 { CG2:15.723 } atom: 217 20G-HA3 A 3.947 ambi=2 { CA:45.907 } ::sumAvg: 3.295 atom: 233 22I-HA A 4.347 ambi=1 { CA:61.285 } atom: 221 21V-H N 7.678 ambi=1 { N:109.739 } ::sumAvg: 4.795 atom: 237 22I-HG2 G2 0.87 ambi=1 { CG2:15.723 } atom: 221 21V-H N 7.678 ambi=1 { N:109.739 } ::sumAvg: 3.755 atom: 223 21V-HB B 2.424 ambi=1 { CB:32.525 } atom: 233 22I-HA A 4.347 ambi=1 { CA:61.285 } ::sumAvg: 4.74 atom: 235 22I-HG12 G1 1.799 ambi=2 { CG1:30.502 } atom: 232 22I-H N 6.842 ambi=1 { N:124.02 } :: atom: 236 22I-HG13 G1 1.628 ambi=2 { CG1:30.502 } atom: 232 22I-H N 6.842 ambi=1 { N:124.02 } ::sumAvg: 4.485 atom: 233 22I-HA A 4.347 ambi=1 { CA:61.285 } atom: 281 26E-HG2 G 2.354 ambi=2 { CG:37.538 } :: atom: 233 22I-HA A 4.347 ambi=1 { CA:61.285 } atom: 282 26E-HG3 G 2.073 ambi=2 { CG:37.538 } ::sumAvg: 4.455 atom: 281 26E-HG2 G 2.354 ambi=2 { CG:37.538 } atom: 233 22I-HA A 4.347 ambi=1 { CA:61.285 } :: atom: 282 26E-HG3 G 2.073 ambi=2 { CG:37.538 } atom: 233 22I-HA A 4.347 ambi=1 { CA:61.285 } ::sumAvg: 4.455 atom: 234 22I-HB B 1.287 ambi=1 { CB:40.142 } atom: 279 26E-HB2 B 2.46 ambi=2 { CB:30.606 } :: atom: 234 22I-HB B 1.287 ambi=1 { CB:40.142 } atom: 280 26E-HB3 B 1.745 ambi=2 { CB:30.606 } ::sumAvg: 4.565 atom: 235 22I-HG12 G1 1.799 ambi=2 { CG1:30.502 } atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } :: atom: 236 22I-HG13 G1 1.628 ambi=2 { CG1:30.502 } atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } ::sumAvg: 4.29 atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } atom: 235 22I-HG12 G1 1.799 ambi=2 { CG1:30.502 } :: atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } atom: 236 22I-HG13 G1 1.628 ambi=2 { CG1:30.502 } ::sumAvg: 4.29 atom: 249 23T-HG2 G2 1.323 ambi=1 { CG2:21.65 } atom: 235 22I-HG12 G1 1.799 ambi=2 { CG1:30.502 } ::sumAvg: 4.845 atom: 235 22I-HG12 G1 1.799 ambi=2 { CG1:30.502 } atom: 256 24E-HA A 3.965 ambi=1 { CA:60.049 } :: atom: 236 22I-HG13 G1 1.628 ambi=2 { CG1:30.502 } atom: 256 24E-HA A 3.965 ambi=1 { CA:60.049 } ::sumAvg: 4.82 atom: 235 22I-HG12 G1 1.799 ambi=2 { CG1:30.502 } atom: 277 26E-H N 7.837 ambi=1 { N:121.997 } :: atom: 236 22I-HG13 G1 1.628 ambi=2 { CG1:30.502 } atom: 277 26E-H N 7.837 ambi=1 { N:121.997 } ::sumAvg: 4.18 atom: 235 22I-HG12 G1 1.799 ambi=2 { CG1:30.502 } atom: 278 26E-HA A 4.074 ambi=1 { CA:58.684 } :: atom: 236 22I-HG13 G1 1.628 ambi=2 { CG1:30.502 } atom: 278 26E-HA A 4.074 ambi=1 { CA:58.684 } ::sumAvg: 4.72 atom: 278 26E-HA A 4.074 ambi=1 { CA:58.684 } atom: 235 22I-HG12 G1 1.799 ambi=2 { CG1:30.502 } :: atom: 278 26E-HA A 4.074 ambi=1 { CA:58.684 } atom: 236 22I-HG13 G1 1.628 ambi=2 { CG1:30.502 } ::sumAvg: 4.72 atom: 235 22I-HG12 G1 1.799 ambi=2 { CG1:30.502 } atom: 281 26E-HG2 G 2.354 ambi=2 { CG:37.538 } :: atom: 236 22I-HG13 G1 1.628 ambi=2 { CG1:30.502 } atom: 281 26E-HG2 G 2.354 ambi=2 { CG:37.538 } :: atom: 236 22I-HG13 G1 1.628 ambi=2 { CG1:30.502 } atom: 282 26E-HG3 G 2.073 ambi=2 { CG:37.538 } ::sumAvg: 3.785 atom: 235 22I-HG12 G1 1.799 ambi=2 { CG1:30.502 } atom: 289 27K-HA A 3.964 ambi=1 { CA:60.129 } :: atom: 236 22I-HG13 G1 1.628 ambi=2 { CG1:30.502 } atom: 289 27K-HA A 3.964 ambi=1 { CA:60.129 } ::sumAvg: 3.805 atom: 293 27K-HG3 G 1.397 ambi=2 { CG:26.074 } atom: 235 22I-HG12 G1 1.799 ambi=2 { CG1:30.502 } ::sumAvg: 2.225 atom: 235 22I-HG12 G1 1.799 ambi=2 { CG1:30.502 } atom: 296 27K-HE2 E 2.876 ambi=2 { CE:42.002 } :: atom: 235 22I-HG12 G1 1.799 ambi=2 { CG1:30.502 } atom: 297 27K-HE3 E 2.8 ambi=2 { CE:42.002 } :: atom: 236 22I-HG13 G1 1.628 ambi=2 { CG1:30.502 } atom: 296 27K-HE2 E 2.876 ambi=2 { CE:42.002 } :: atom: 236 22I-HG13 G1 1.628 ambi=2 { CG1:30.502 } atom: 297 27K-HE3 E 2.8 ambi=2 { CE:42.002 } ::sumAvg: 4.545 atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } atom: 237 22I-HG2 G2 0.87 ambi=1 { CG2:15.723 } ::sumAvg: 4.15 atom: 249 23T-HG2 G2 1.323 ambi=1 { CG2:21.65 } atom: 237 22I-HG2 G2 0.87 ambi=1 { CG2:15.723 } ::sumAvg: 4.91 atom: 237 22I-HG2 G2 0.87 ambi=1 { CG2:15.723 } atom: 256 24E-HA A 3.965 ambi=1 { CA:60.049 } ::sumAvg: 4.835 atom: 256 24E-HA A 3.965 ambi=1 { CA:60.049 } atom: 237 22I-HG2 G2 0.87 ambi=1 { CG2:15.723 } ::sumAvg: 4.835 atom: 237 22I-HG2 G2 0.87 ambi=1 { CG2:15.723 } atom: 279 26E-HB2 B 2.46 ambi=2 { CB:30.606 } :: atom: 237 22I-HG2 G2 0.87 ambi=1 { CG2:15.723 } atom: 280 26E-HB3 B 1.745 ambi=2 { CB:30.606 } ::sumAvg: 4.345 atom: 279 26E-HB2 B 2.46 ambi=2 { CB:30.606 } atom: 237 22I-HG2 G2 0.87 ambi=1 { CG2:15.723 } :: atom: 280 26E-HB3 B 1.745 ambi=2 { CB:30.606 } atom: 237 22I-HG2 G2 0.87 ambi=1 { CG2:15.723 } ::sumAvg: 4.345 atom: 237 22I-HG2 G2 0.87 ambi=1 { CG2:15.723 } atom: 288 27K-H N 8.659 ambi=1 { N:121.367 } ::sumAvg: 4.525 atom: 237 22I-HG2 G2 0.87 ambi=1 { CG2:15.723 } atom: 289 27K-HA A 3.964 ambi=1 { CA:60.129 } ::sumAvg: 4.3 atom: 289 27K-HA A 3.964 ambi=1 { CA:60.129 } atom: 237 22I-HG2 G2 0.87 ambi=1 { CG2:15.723 } ::sumAvg: 4.3 atom: 237 22I-HG2 G2 0.87 ambi=1 { CG2:15.723 } atom: 330 30Q-HE22 E2 6.157 ambi=1 { NE2:108.422 } ::sumAvg: 4.77 atom: 238 22I-HD1 D1 0.809 ambi=1 { CD1:13.758 } atom: 277 26E-H N 7.837 ambi=1 { N:121.997 } ::sumAvg: 4.7 atom: 238 22I-HD1 D1 0.809 ambi=1 { CD1:13.758 } atom: 278 26E-HA A 4.074 ambi=1 { CA:58.684 } ::sumAvg: 4.3 atom: 238 22I-HD1 D1 0.809 ambi=1 { CD1:13.758 } atom: 294 27K-QD D 1.664 ambi=2 { CD:29.901 } ::sumAvg: 3.825 atom: 294 27K-QD D 1.664 ambi=2 { CD:29.901 } atom: 238 22I-HD1 D1 0.809 ambi=1 { CD1:13.758 } ::sumAvg: 3.825 atom: 238 22I-HD1 D1 0.809 ambi=1 { CD1:13.758 } atom: 296 27K-HE2 E 2.876 ambi=2 { CE:42.002 } :: atom: 238 22I-HD1 D1 0.809 ambi=1 { CD1:13.758 } atom: 297 27K-HE3 E 2.8 ambi=2 { CE:42.002 } ::sumAvg: 4.075 atom: 238 22I-HD1 D1 0.809 ambi=1 { CD1:13.758 } atom: 323 30Q-H N 8.891 ambi=1 { N:119.325 } ::sumAvg: 4.165 atom: 238 22I-HD1 D1 0.809 ambi=1 { CD1:13.758 } atom: 327 30Q-HG2 G 2.358 ambi=2 { CG:33.681 } :: atom: 238 22I-HD1 D1 0.809 ambi=1 { CD1:13.758 } atom: 328 30Q-HG3 G 2.185 ambi=2 { CG:33.681 } ::sumAvg: 4.63 atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } atom: 246 23T-H N 9.104 ambi=1 { N:120.184 } ::sumAvg: 3.68 atom: 292 27K-HG2 G 1.664 ambi=2 { CG:26.074 } atom: 246 23T-H N 9.104 ambi=1 { N:120.184 } :: atom: 293 27K-HG3 G 1.397 ambi=2 { CG:26.074 } atom: 246 23T-H N 9.104 ambi=1 { N:120.184 } ::sumAvg: 4.395 atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } atom: 256 24E-HA A 3.965 ambi=1 { CA:60.049 } ::sumAvg: 4.3 atom: 256 24E-HA A 3.965 ambi=1 { CA:60.049 } atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } ::sumAvg: 4.3 atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } atom: 257 24E-HB2 B 2.1 ambi=2 { CB:29.095 } :: atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } atom: 258 24E-HB3 B 2.069 ambi=2 { CB:29.095 } ::sumAvg: 4.99 atom: 257 24E-HB2 B 2.1 ambi=2 { CB:29.095 } atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } :: atom: 258 24E-HB3 B 2.069 ambi=2 { CB:29.095 } atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } ::sumAvg: 4.99 atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } atom: 259 24E-HG2 G 2.421 ambi=2 { CG:36.489 } :: atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } atom: 260 24E-HG3 G 2.402 ambi=2 { CG:36.489 } ::sumAvg: 4.01 atom: 259 24E-HG2 G 2.421 ambi=2 { CG:36.489 } atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } :: atom: 260 24E-HG3 G 2.402 ambi=2 { CG:36.489 } atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } ::sumAvg: 4.01 atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } atom: 266 25E-H N 8.917 ambi=1 { N:120.676 } ::sumAvg: 4.535 atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } atom: 277 26E-H N 7.837 ambi=1 { N:121.997 } ::sumAvg: 4.71 atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } atom: 279 26E-HB2 B 2.46 ambi=2 { CB:30.606 } :: atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } atom: 280 26E-HB3 B 1.745 ambi=2 { CB:30.606 } ::sumAvg: 4.71 atom: 279 26E-HB2 B 2.46 ambi=2 { CB:30.606 } atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } :: atom: 280 26E-HB3 B 1.745 ambi=2 { CB:30.606 } atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } ::sumAvg: 4.71 atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } atom: 292 27K-HG2 G 1.664 ambi=2 { CG:26.074 } :: atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } atom: 293 27K-HG3 G 1.397 ambi=2 { CG:26.074 } ::sumAvg: 4.44 atom: 292 27K-HG2 G 1.664 ambi=2 { CG:26.074 } atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } :: atom: 293 27K-HG3 G 1.397 ambi=2 { CG:26.074 } atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } ::sumAvg: 4.44 atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } atom: 294 27K-QD D 1.664 ambi=2 { CD:29.901 } ::sumAvg: 4.445 atom: 294 27K-QD D 1.664 ambi=2 { CD:29.901 } atom: 247 23T-HA A 4.597 ambi=1 { CA:61.139 } ::sumAvg: 4.445 atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } atom: 249 23T-HG2 G2 1.323 ambi=1 { CG2:21.65 } ::sumAvg: 2.125 atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } atom: 255 24E-H N 9.011 ambi=1 { N:120.289 } ::sumAvg: 2.4 atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } atom: 256 24E-HA A 3.965 ambi=1 { CA:60.049 } ::sumAvg: 4.77 atom: 256 24E-HA A 3.965 ambi=1 { CA:60.049 } atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } ::sumAvg: 4.77 atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } atom: 257 24E-HB2 B 2.1 ambi=2 { CB:29.095 } :: atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } atom: 258 24E-HB3 B 2.069 ambi=2 { CB:29.095 } ::sumAvg: 4.295 atom: 257 24E-HB2 B 2.1 ambi=2 { CB:29.095 } atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } :: atom: 258 24E-HB3 B 2.069 ambi=2 { CB:29.095 } atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } ::sumAvg: 4.295 atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } atom: 259 24E-HG2 G 2.421 ambi=2 { CG:36.489 } :: atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } atom: 260 24E-HG3 G 2.402 ambi=2 { CG:36.489 } ::sumAvg: 4.415 atom: 259 24E-HG2 G 2.421 ambi=2 { CG:36.489 } atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } :: atom: 260 24E-HG3 G 2.402 ambi=2 { CG:36.489 } atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } ::sumAvg: 4.415 atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } atom: 266 25E-H N 8.917 ambi=1 { N:120.676 } ::sumAvg: 3.145 atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } atom: 268 25E-HB2 B 2.04 ambi=2 { CB:29.131 } :: atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } atom: 269 25E-HB3 B 1.973 ambi=2 { CB:29.131 } ::sumAvg: 4.005 atom: 268 25E-HB2 B 2.04 ambi=2 { CB:29.131 } atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } :: atom: 269 25E-HB3 B 1.973 ambi=2 { CB:29.131 } atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } ::sumAvg: 4.005 atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } atom: 277 26E-H N 7.837 ambi=1 { N:121.997 } ::sumAvg: 3.89 atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } atom: 279 26E-HB2 B 2.46 ambi=2 { CB:30.606 } :: atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } atom: 280 26E-HB3 B 1.745 ambi=2 { CB:30.606 } ::sumAvg: 4.885 atom: 279 26E-HB2 B 2.46 ambi=2 { CB:30.606 } atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } :: atom: 280 26E-HB3 B 1.745 ambi=2 { CB:30.606 } atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } ::sumAvg: 4.885 atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } atom: 281 26E-HG2 G 2.354 ambi=2 { CG:37.538 } :: atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } atom: 282 26E-HG3 G 2.073 ambi=2 { CG:37.538 } ::sumAvg: 4.44 atom: 281 26E-HG2 G 2.354 ambi=2 { CG:37.538 } atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } :: atom: 282 26E-HG3 G 2.073 ambi=2 { CG:37.538 } atom: 248 23T-HB B 4.798 ambi=1 { CB:71.396 } ::sumAvg: 4.44 atom: 249 23T-HG2 G2 1.323 ambi=1 { CG2:21.65 } atom: 266 25E-H N 8.917 ambi=1 { N:120.676 } ::sumAvg: 4.575 atom: 249 23T-HG2 G2 1.323 ambi=1 { CG2:21.65 } atom: 268 25E-HB2 B 2.04 ambi=2 { CB:29.131 } :: atom: 249 23T-HG2 G2 1.323 ambi=1 { CG2:21.65 } atom: 269 25E-HB3 B 1.973 ambi=2 { CB:29.131 } ::sumAvg: 4.615 atom: 249 23T-HG2 G2 1.323 ambi=1 { CG2:21.65 } atom: 277 26E-H N 7.837 ambi=1 { N:121.997 } ::sumAvg: 4.29 atom: 249 23T-HG2 G2 1.323 ambi=1 { CG2:21.65 } atom: 279 26E-HB2 B 2.46 ambi=2 { CB:30.606 } :: atom: 249 23T-HG2 G2 1.323 ambi=1 { CG2:21.65 } atom: 280 26E-HB3 B 1.745 ambi=2 { CB:30.606 } ::sumAvg: 4.27 atom: 249 23T-HG2 G2 1.323 ambi=1 { CG2:21.65 } atom: 281 26E-HG2 G 2.354 ambi=2 { CG:37.538 } :: atom: 249 23T-HG2 G2 1.323 ambi=1 { CG2:21.65 } atom: 282 26E-HG3 G 2.073 ambi=2 { CG:37.538 } ::sumAvg: 3.65 atom: 292 27K-HG2 G 1.664 ambi=2 { CG:26.074 } atom: 255 24E-H N 9.011 ambi=1 { N:120.289 } :: atom: 293 27K-HG3 G 1.397 ambi=2 { CG:26.074 } atom: 255 24E-H N 9.011 ambi=1 { N:120.289 } ::sumAvg: 4.595 atom: 294 27K-QD D 1.664 ambi=2 { CD:29.901 } atom: 255 24E-H N 9.011 ambi=1 { N:120.289 } ::sumAvg: 4.215 atom: 256 24E-HA A 3.965 ambi=1 { CA:60.049 } atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } ::sumAvg: 4.835 atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } atom: 256 24E-HA A 3.965 ambi=1 { CA:60.049 } ::sumAvg: 4.835 atom: 294 27K-QD D 1.664 ambi=2 { CD:29.901 } atom: 257 24E-HB2 B 2.1 ambi=2 { CB:29.095 } :: atom: 294 27K-QD D 1.664 ambi=2 { CD:29.901 } atom: 258 24E-HB3 B 2.069 ambi=2 { CB:29.095 } ::sumAvg: 4.095 atom: 257 24E-HB2 B 2.1 ambi=2 { CB:29.095 } atom: 305 28A-H N 7.648 ambi=1 { N:122.685 } :: atom: 258 24E-HB3 B 2.069 ambi=2 { CB:29.095 } atom: 305 28A-H N 7.648 ambi=1 { N:122.685 } ::sumAvg: 4.915 atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } atom: 257 24E-HB2 B 2.1 ambi=2 { CB:29.095 } :: atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } atom: 258 24E-HB3 B 2.069 ambi=2 { CB:29.095 } ::sumAvg: 4.69 atom: 294 27K-QD D 1.664 ambi=2 { CD:29.901 } atom: 259 24E-HG2 G 2.421 ambi=2 { CG:36.489 } :: atom: 294 27K-QD D 1.664 ambi=2 { CD:29.901 } atom: 260 24E-HG3 G 2.402 ambi=2 { CG:36.489 } ::sumAvg: 3.28 atom: 279 26E-HB2 B 2.46 ambi=2 { CB:30.606 } atom: 266 25E-H N 8.917 ambi=1 { N:120.676 } :: atom: 280 26E-HB3 B 1.745 ambi=2 { CB:30.606 } atom: 266 25E-H N 8.917 ambi=1 { N:120.676 } ::sumAvg: 4.88 atom: 281 26E-HG2 G 2.354 ambi=2 { CG:37.538 } atom: 266 25E-H N 8.917 ambi=1 { N:120.676 } :: atom: 282 26E-HG3 G 2.073 ambi=2 { CG:37.538 } atom: 266 25E-H N 8.917 ambi=1 { N:120.676 } ::sumAvg: 4.605 atom: 290 27K-HB2 B 1.951 ambi=2 { CB:32.537 } atom: 266 25E-H N 8.917 ambi=1 { N:120.676 } :: atom: 291 27K-HB3 B 1.903 ambi=2 { CB:32.537 } atom: 266 25E-H N 8.917 ambi=1 { N:120.676 } ::sumAvg: 4.965 atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } atom: 266 25E-H N 8.917 ambi=1 { N:120.676 } ::sumAvg: 4.775 atom: 268 25E-HB2 B 2.04 ambi=2 { CB:29.131 } atom: 288 27K-H N 8.659 ambi=1 { N:121.367 } :: atom: 269 25E-HB3 B 1.973 ambi=2 { CB:29.131 } atom: 288 27K-H N 8.659 ambi=1 { N:121.367 } ::sumAvg: 4.955 atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } atom: 268 25E-HB2 B 2.04 ambi=2 { CB:29.131 } :: atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } atom: 269 25E-HB3 B 1.973 ambi=2 { CB:29.131 } ::sumAvg: 4.715 atom: 270 25E-HG2 G 2.414 ambi=2 { CG:36.837 } atom: 277 26E-H N 7.837 ambi=1 { N:121.997 } :: atom: 271 25E-HG3 G 2.318 ambi=2 { CG:36.837 } atom: 277 26E-H N 7.837 ambi=1 { N:121.997 } ::sumAvg: 4.11 atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } atom: 270 25E-HG2 G 2.414 ambi=2 { CG:36.837 } :: atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } atom: 271 25E-HG3 G 2.318 ambi=2 { CG:36.837 } ::sumAvg: 4.06 atom: 292 27K-HG2 G 1.664 ambi=2 { CG:26.074 } atom: 277 26E-H N 7.837 ambi=1 { N:121.997 } :: atom: 293 27K-HG3 G 1.397 ambi=2 { CG:26.074 } atom: 277 26E-H N 7.837 ambi=1 { N:121.997 } ::sumAvg: 4.405 atom: 316 29E-HG2 G 2.385 ambi=2 { CG:35.082 } atom: 278 26E-HA A 4.074 ambi=1 { CA:58.684 } :: atom: 317 29E-HG3 G 2.041 ambi=2 { CG:35.082 } atom: 278 26E-HA A 4.074 ambi=1 { CA:58.684 } ::sumAvg: 4.56 atom: 279 26E-HB2 B 2.46 ambi=2 { CB:30.606 } atom: 289 27K-HA A 3.964 ambi=1 { CA:60.129 } :: atom: 280 26E-HB3 B 1.745 ambi=2 { CB:30.606 } atom: 289 27K-HA A 3.964 ambi=1 { CA:60.129 } ::sumAvg: 4.44 atom: 292 27K-HG2 G 1.664 ambi=2 { CG:26.074 } atom: 279 26E-HB2 B 2.46 ambi=2 { CB:30.606 } :: atom: 293 27K-HG3 G 1.397 ambi=2 { CG:26.074 } atom: 279 26E-HB2 B 2.46 ambi=2 { CB:30.606 } ::sumAvg: 3.615 atom: 279 26E-HB2 B 2.46 ambi=2 { CB:30.606 } atom: 323 30Q-H N 8.891 ambi=1 { N:119.325 } :: atom: 280 26E-HB3 B 1.745 ambi=2 { CB:30.606 } atom: 323 30Q-H N 8.891 ambi=1 { N:119.325 } ::sumAvg: 4.655 atom: 325 30Q-HB2 B 2.398 ambi=2 { CB:29.404 } atom: 280 26E-HB3 B 1.745 ambi=2 { CB:30.606 } ::sumAvg: 4.655 atom: 281 26E-HG2 G 2.354 ambi=2 { CG:37.538 } atom: 288 27K-H N 8.659 ambi=1 { N:121.367 } :: atom: 282 26E-HG3 G 2.073 ambi=2 { CG:37.538 } atom: 288 27K-H N 8.659 ambi=1 { N:121.367 } ::sumAvg: 4.365 atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } atom: 288 27K-H N 8.659 ambi=1 { N:121.367 } ::sumAvg: 4.385 atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } atom: 290 27K-HB2 B 1.951 ambi=2 { CB:32.537 } ::sumAvg: 4.05 atom: 325 30Q-HB2 B 2.398 ambi=2 { CB:29.404 } atom: 290 27K-HB2 B 1.951 ambi=2 { CB:32.537 } :: atom: 325 30Q-HB2 B 2.398 ambi=2 { CB:29.404 } atom: 291 27K-HB3 B 1.903 ambi=2 { CB:32.537 } ::sumAvg: 4.51 atom: 292 27K-HG2 G 1.664 ambi=2 { CG:26.074 } atom: 305 28A-H N 7.648 ambi=1 { N:122.685 } :: atom: 293 27K-HG3 G 1.397 ambi=2 { CG:26.074 } atom: 305 28A-H N 7.648 ambi=1 { N:122.685 } ::sumAvg: 4.32 atom: 292 27K-HG2 G 1.664 ambi=2 { CG:26.074 } atom: 325 30Q-HB2 B 2.398 ambi=2 { CB:29.404 } :: atom: 292 27K-HG2 G 1.664 ambi=2 { CG:26.074 } atom: 326 30Q-HB3 B 2.092 ambi=2 { CB:29.404 } :: atom: 293 27K-HG3 G 1.397 ambi=2 { CG:26.074 } atom: 325 30Q-HB2 B 2.398 ambi=2 { CB:29.404 } :: atom: 293 27K-HG3 G 1.397 ambi=2 { CG:26.074 } atom: 326 30Q-HB3 B 2.092 ambi=2 { CB:29.404 } ::sumAvg: 4.735 atom: 294 27K-QD D 1.664 ambi=2 { CD:29.901 } atom: 305 28A-H N 7.648 ambi=1 { N:122.685 } ::sumAvg: 4.76 atom: 314 29E-HB2 B 2.258 ambi=2 { CB:29.467 } atom: 305 28A-H N 7.648 ambi=1 { N:122.685 } :: atom: 315 29E-HB3 B 2.047 ambi=2 { CB:29.467 } atom: 305 28A-H N 7.648 ambi=1 { N:122.685 } ::sumAvg: 4.875 atom: 306 28A-HA A 4.216 ambi=1 { CA:55.014 } atom: 323 30Q-H N 8.891 ambi=1 { N:119.325 } ::sumAvg: 4.61 atom: 342 31Q-HG2 G 2.511 ambi=2 { CG:33.406 } atom: 306 28A-HA A 4.216 ambi=1 { CA:55.014 } :: atom: 343 31Q-HG3 G 2.484 ambi=2 { CG:33.406 } atom: 306 28A-HA A 4.216 ambi=1 { CA:55.014 } ::sumAvg: 4.12 atom: 306 28A-HA A 4.216 ambi=1 { CA:55.014 } atom: 344 31Q-HE21 E2 7.489 ambi=1 { NE2:111.9 } ::sumAvg: 4.485 atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } atom: 313 29E-HA A 3.971 ambi=1 { CA:59.269 } ::sumAvg: 3.88 atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } atom: 314 29E-HB2 B 2.258 ambi=2 { CB:29.467 } :: atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } atom: 315 29E-HB3 B 2.047 ambi=2 { CB:29.467 } ::sumAvg: 4.045 atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } atom: 323 30Q-H N 8.891 ambi=1 { N:119.325 } ::sumAvg: 4.615 atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } atom: 340 31Q-HB2 B 2.216 ambi=2 { CB:28.283 } :: atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } atom: 341 31Q-HB3 B 2.192 ambi=2 { CB:28.283 } ::sumAvg: 4.18 atom: 340 31Q-HB2 B 2.216 ambi=2 { CB:28.283 } atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } :: atom: 341 31Q-HB3 B 2.192 ambi=2 { CB:28.283 } atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } ::sumAvg: 4.18 atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } atom: 353 32K-H N 7.739 ambi=1 { N:120.842 } ::sumAvg: 4.645 atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } atom: 355 32K-HB2 B 2.028 ambi=2 { CB:32.403 } :: atom: 307 28A-HB B 1.534 ambi=1 { CB:17.61 } atom: 356 32K-HB3 B 1.997 ambi=2 { CB:32.403 } ::sumAvg: 4.835 atom: 313 29E-HA A 3.971 ambi=1 { CA:59.269 } atom: 359 32K-QD D 1.694 ambi=2 { CD:29.333 } ::sumAvg: 3.255 atom: 313 29E-HA A 3.971 ambi=1 { CA:59.269 } atom: 374 33L-HG G 1.904 ambi=1 { CG:27.026 } ::sumAvg: 4 atom: 374 33L-HG G 1.904 ambi=1 { CG:27.026 } atom: 313 29E-HA A 3.971 ambi=1 { CA:59.269 } ::sumAvg: 4 atom: 313 29E-HA A 3.971 ambi=1 { CA:59.269 } atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } :: atom: 313 29E-HA A 3.971 ambi=1 { CA:59.269 } atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } ::sumAvg: 4.665 atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } atom: 313 29E-HA A 3.971 ambi=1 { CA:59.269 } :: atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } atom: 313 29E-HA A 3.971 ambi=1 { CA:59.269 } ::sumAvg: 4.665 atom: 316 29E-HG2 G 2.385 ambi=2 { CG:35.082 } atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } :: atom: 317 29E-HG3 G 2.041 ambi=2 { CG:35.082 } atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } ::sumAvg: 3.82 atom: 316 29E-HG2 G 2.385 ambi=2 { CG:35.082 } atom: 359 32K-QD D 1.694 ambi=2 { CD:29.333 } ::sumAvg: 4.565 atom: 359 32K-QD D 1.694 ambi=2 { CD:29.333 } atom: 316 29E-HG2 G 2.385 ambi=2 { CG:35.082 } ::sumAvg: 4.565 atom: 316 29E-HG2 G 2.385 ambi=2 { CG:35.082 } atom: 361 32K-QE E 2.979 ambi=2 { CE:42.185 } :: atom: 317 29E-HG3 G 2.041 ambi=2 { CG:35.082 } atom: 361 32K-QE E 2.979 ambi=2 { CE:42.185 } ::sumAvg: 4.565 atom: 316 29E-HG2 G 2.385 ambi=2 { CG:35.082 } atom: 370 33L-H N 8.617 ambi=1 { N:120.088 } :: atom: 317 29E-HG3 G 2.041 ambi=2 { CG:35.082 } atom: 370 33L-H N 8.617 ambi=1 { N:120.088 } ::sumAvg: 4.35 atom: 372 33L-HB2 B 1.918 ambi=2 { CB:42.585 } atom: 316 29E-HG2 G 2.385 ambi=2 { CG:35.082 } :: atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } atom: 316 29E-HG2 G 2.385 ambi=2 { CG:35.082 } :: atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } atom: 317 29E-HG3 G 2.041 ambi=2 { CG:35.082 } ::sumAvg: 4.52 atom: 340 31Q-HB2 B 2.216 ambi=2 { CB:28.283 } atom: 323 30Q-H N 8.891 ambi=1 { N:119.325 } :: atom: 341 31Q-HB3 B 2.192 ambi=2 { CB:28.283 } atom: 323 30Q-H N 8.891 ambi=1 { N:119.325 } ::sumAvg: 4.86 atom: 374 33L-HG G 1.904 ambi=1 { CG:27.026 } atom: 323 30Q-H N 8.891 ambi=1 { N:119.325 } ::sumAvg: 4.88 atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } atom: 323 30Q-H N 8.891 ambi=1 { N:119.325 } :: atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } atom: 323 30Q-H N 8.891 ambi=1 { N:119.325 } ::sumAvg: 4.45 atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } atom: 329 30Q-HE21 E2 7.659 ambi=1 { NE2:108.422 } ::sumAvg: 4.81 atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } atom: 353 32K-H N 7.739 ambi=1 { N:120.842 } ::sumAvg: 4.615 atom: 374 33L-HG G 1.904 ambi=1 { CG:27.026 } atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } ::sumAvg: 3.53 atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } atom: 388 34R-HG2 G 1.826 ambi=2 { CG:27.894 } :: atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } atom: 389 34R-HG3 G 1.607 ambi=2 { CG:27.894 } ::sumAvg: 3.925 atom: 388 34R-HG2 G 1.826 ambi=2 { CG:27.894 } atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } :: atom: 389 34R-HG3 G 1.607 ambi=2 { CG:27.894 } atom: 324 30Q-HA A 3.805 ambi=1 { CA:59.703 } ::sumAvg: 3.925 atom: 326 30Q-HB3 B 2.092 ambi=2 { CB:29.404 } atom: 342 31Q-HG2 G 2.511 ambi=2 { CG:33.406 } ::sumAvg: 4.965 atom: 342 31Q-HG2 G 2.511 ambi=2 { CG:33.406 } atom: 326 30Q-HB3 B 2.092 ambi=2 { CB:29.404 } ::sumAvg: 4.965 atom: 388 34R-HG2 G 1.826 ambi=2 { CG:27.894 } atom: 325 30Q-HB2 B 2.398 ambi=2 { CB:29.404 } :: atom: 389 34R-HG3 G 1.607 ambi=2 { CG:27.894 } atom: 325 30Q-HB2 B 2.398 ambi=2 { CB:29.404 } :: atom: 389 34R-HG3 G 1.607 ambi=2 { CG:27.894 } atom: 326 30Q-HB3 B 2.092 ambi=2 { CB:29.404 } ::sumAvg: 4.895 atom: 325 30Q-HB2 B 2.398 ambi=2 { CB:29.404 } atom: 390 34R-HD2 D 3.202 ambi=2 { CD:43.454 } :: atom: 325 30Q-HB2 B 2.398 ambi=2 { CB:29.404 } atom: 391 34R-HD3 D 3.147 ambi=2 { CD:43.454 } :: atom: 326 30Q-HB3 B 2.092 ambi=2 { CB:29.404 } atom: 390 34R-HD2 D 3.202 ambi=2 { CD:43.454 } :: atom: 326 30Q-HB3 B 2.092 ambi=2 { CB:29.404 } atom: 391 34R-HD3 D 3.147 ambi=2 { CD:43.454 } ::sumAvg: 4.81 atom: 372 33L-HB2 B 1.918 ambi=2 { CB:42.585 } atom: 327 30Q-HG2 G 2.358 ambi=2 { CG:33.681 } :: atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } atom: 327 30Q-HG2 G 2.358 ambi=2 { CG:33.681 } :: atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } atom: 328 30Q-HG3 G 2.185 ambi=2 { CG:33.681 } ::sumAvg: 4.34 atom: 327 30Q-HG2 G 2.358 ambi=2 { CG:33.681 } atom: 384 34R-H N 8.413 ambi=1 { N:119.206 } :: atom: 328 30Q-HG3 G 2.185 ambi=2 { CG:33.681 } atom: 384 34R-H N 8.413 ambi=1 { N:119.206 } ::sumAvg: 4.46 atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } atom: 327 30Q-HG2 G 2.358 ambi=2 { CG:33.681 } ::sumAvg: 4.45 atom: 388 34R-HG2 G 1.826 ambi=2 { CG:27.894 } atom: 327 30Q-HG2 G 2.358 ambi=2 { CG:33.681 } :: atom: 389 34R-HG3 G 1.607 ambi=2 { CG:27.894 } atom: 327 30Q-HG2 G 2.358 ambi=2 { CG:33.681 } :: atom: 389 34R-HG3 G 1.607 ambi=2 { CG:27.894 } atom: 328 30Q-HG3 G 2.185 ambi=2 { CG:33.681 } ::sumAvg: 2.88 atom: 390 34R-HD2 D 3.202 ambi=2 { CD:43.454 } atom: 329 30Q-HE21 E2 7.659 ambi=1 { NE2:108.422 } :: atom: 391 34R-HD3 D 3.147 ambi=2 { CD:43.454 } atom: 329 30Q-HE21 E2 7.659 ambi=1 { NE2:108.422 } :: atom: 390 34R-HD2 D 3.202 ambi=2 { CD:43.454 } atom: 330 30Q-HE22 E2 6.157 ambi=1 { NE2:108.422 } :: atom: 391 34R-HD3 D 3.147 ambi=2 { CD:43.454 } atom: 330 30Q-HE22 E2 6.157 ambi=1 { NE2:108.422 } ::sumAvg: 3.995 atom: 388 34R-HG2 G 1.826 ambi=2 { CG:27.894 } atom: 338 31Q-H N 7.874 ambi=1 { N:118.01 } :: atom: 389 34R-HG3 G 1.607 ambi=2 { CG:27.894 } atom: 338 31Q-H N 7.874 ambi=1 { N:118.01 } ::sumAvg: 4.845 atom: 339 31Q-HA A 4.085 ambi=1 { CA:58.842 } atom: 344 31Q-HE21 E2 7.489 ambi=1 { NE2:111.9 } ::sumAvg: 4.665 atom: 340 31Q-HB2 B 2.216 ambi=2 { CB:28.283 } atom: 344 31Q-HE21 E2 7.489 ambi=1 { NE2:111.9 } :: atom: 340 31Q-HB2 B 2.216 ambi=2 { CB:28.283 } atom: 345 31Q-HE22 E2 6.891 ambi=1 { NE2:111.9 } :: atom: 341 31Q-HB3 B 2.192 ambi=2 { CB:28.283 } atom: 344 31Q-HE21 E2 7.489 ambi=1 { NE2:111.9 } :: atom: 341 31Q-HB3 B 2.192 ambi=2 { CB:28.283 } atom: 345 31Q-HE22 E2 6.891 ambi=1 { NE2:111.9 } ::sumAvg: 3.44 atom: 340 31Q-HB2 B 2.216 ambi=2 { CB:28.283 } atom: 357 32K-HG2 G 1.608 ambi=2 { CG:25.051 } :: atom: 340 31Q-HB2 B 2.216 ambi=2 { CB:28.283 } atom: 358 32K-HG3 G 1.44 ambi=2 { CG:25.051 } :: atom: 341 31Q-HB3 B 2.192 ambi=2 { CB:28.283 } atom: 357 32K-HG2 G 1.608 ambi=2 { CG:25.051 } :: atom: 341 31Q-HB3 B 2.192 ambi=2 { CB:28.283 } atom: 358 32K-HG3 G 1.44 ambi=2 { CG:25.051 } ::sumAvg: 4.845 atom: 357 32K-HG2 G 1.608 ambi=2 { CG:25.051 } atom: 340 31Q-HB2 B 2.216 ambi=2 { CB:28.283 } :: atom: 358 32K-HG3 G 1.44 ambi=2 { CG:25.051 } atom: 340 31Q-HB2 B 2.216 ambi=2 { CB:28.283 } :: atom: 357 32K-HG2 G 1.608 ambi=2 { CG:25.051 } atom: 341 31Q-HB3 B 2.192 ambi=2 { CB:28.283 } :: atom: 358 32K-HG3 G 1.44 ambi=2 { CG:25.051 } atom: 341 31Q-HB3 B 2.192 ambi=2 { CB:28.283 } ::sumAvg: 4.845 atom: 342 31Q-HG2 G 2.511 ambi=2 { CG:33.406 } atom: 344 31Q-HE21 E2 7.489 ambi=1 { NE2:111.9 } :: atom: 342 31Q-HG2 G 2.511 ambi=2 { CG:33.406 } atom: 345 31Q-HE22 E2 6.891 ambi=1 { NE2:111.9 } :: atom: 343 31Q-HG3 G 2.484 ambi=2 { CG:33.406 } atom: 344 31Q-HE21 E2 7.489 ambi=1 { NE2:111.9 } :: atom: 343 31Q-HG3 G 2.484 ambi=2 { CG:33.406 } atom: 345 31Q-HE22 E2 6.891 ambi=1 { NE2:111.9 } ::sumAvg: 2.245 atom: 342 31Q-HG2 G 2.511 ambi=2 { CG:33.406 } atom: 353 32K-H N 7.739 ambi=1 { N:120.842 } :: atom: 343 31Q-HG3 G 2.484 ambi=2 { CG:33.406 } atom: 353 32K-H N 7.739 ambi=1 { N:120.842 } ::sumAvg: 3.635 atom: 354 32K-HA A 4.096 ambi=1 { CA:59.708 } atom: 342 31Q-HG2 G 2.511 ambi=2 { CG:33.406 } :: atom: 354 32K-HA A 4.096 ambi=1 { CA:59.708 } atom: 343 31Q-HG3 G 2.484 ambi=2 { CG:33.406 } ::sumAvg: 4.845 atom: 342 31Q-HG2 G 2.511 ambi=2 { CG:33.406 } atom: 386 34R-HB2 B 1.961 ambi=2 { CB:29.772 } :: atom: 342 31Q-HG2 G 2.511 ambi=2 { CG:33.406 } atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } :: atom: 343 31Q-HG3 G 2.484 ambi=2 { CG:33.406 } atom: 386 34R-HB2 B 1.961 ambi=2 { CB:29.772 } :: atom: 343 31Q-HG3 G 2.484 ambi=2 { CG:33.406 } atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } ::sumAvg: 4.84 atom: 386 34R-HB2 B 1.961 ambi=2 { CB:29.772 } atom: 342 31Q-HG2 G 2.511 ambi=2 { CG:33.406 } :: atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } atom: 342 31Q-HG2 G 2.511 ambi=2 { CG:33.406 } :: atom: 386 34R-HB2 B 1.961 ambi=2 { CB:29.772 } atom: 343 31Q-HG3 G 2.484 ambi=2 { CG:33.406 } :: atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } atom: 343 31Q-HG3 G 2.484 ambi=2 { CG:33.406 } ::sumAvg: 4.84 atom: 342 31Q-HG2 G 2.511 ambi=2 { CG:33.406 } atom: 390 34R-HD2 D 3.202 ambi=2 { CD:43.454 } :: atom: 342 31Q-HG2 G 2.511 ambi=2 { CG:33.406 } atom: 391 34R-HD3 D 3.147 ambi=2 { CD:43.454 } :: atom: 343 31Q-HG3 G 2.484 ambi=2 { CG:33.406 } atom: 390 34R-HD2 D 3.202 ambi=2 { CD:43.454 } :: atom: 343 31Q-HG3 G 2.484 ambi=2 { CG:33.406 } atom: 391 34R-HD3 D 3.147 ambi=2 { CD:43.454 } ::sumAvg: 4.94 atom: 390 34R-HD2 D 3.202 ambi=2 { CD:43.454 } atom: 342 31Q-HG2 G 2.511 ambi=2 { CG:33.406 } :: atom: 391 34R-HD3 D 3.147 ambi=2 { CD:43.454 } atom: 342 31Q-HG2 G 2.511 ambi=2 { CG:33.406 } :: atom: 390 34R-HD2 D 3.202 ambi=2 { CD:43.454 } atom: 343 31Q-HG3 G 2.484 ambi=2 { CG:33.406 } :: atom: 391 34R-HD3 D 3.147 ambi=2 { CD:43.454 } atom: 343 31Q-HG3 G 2.484 ambi=2 { CG:33.406 } ::sumAvg: 4.94 atom: 359 32K-QD D 1.694 ambi=2 { CD:29.333 } atom: 353 32K-H N 7.739 ambi=1 { N:120.842 } ::sumAvg: 4.16 atom: 374 33L-HG G 1.904 ambi=1 { CG:27.026 } atom: 353 32K-H N 7.739 ambi=1 { N:120.842 } ::sumAvg: 4.585 atom: 361 32K-QE E 2.979 ambi=2 { CE:42.185 } atom: 354 32K-HA A 4.096 ambi=1 { CA:59.708 } ::sumAvg: 4.56 atom: 354 32K-HA A 4.096 ambi=1 { CA:59.708 } atom: 384 34R-H N 8.413 ambi=1 { N:119.206 } ::sumAvg: 4.45 atom: 354 32K-HA A 4.096 ambi=1 { CA:59.708 } atom: 402 35Q-HG2 G 2.574 ambi=2 { CG:34.09 } :: atom: 354 32K-HA A 4.096 ambi=1 { CA:59.708 } atom: 403 35Q-HG3 G 2.488 ambi=2 { CG:34.09 } ::sumAvg: 3.61 atom: 354 32K-HA A 4.096 ambi=1 { CA:59.708 } atom: 404 35Q-HE21 E2 7.492 ambi=1 { NE2:111.993 } ::sumAvg: 4.115 atom: 354 32K-HA A 4.096 ambi=1 { CA:59.708 } atom: 413 36E-H N 7.939 ambi=1 { N:119.554 } ::sumAvg: 4.435 atom: 371 33L-HA A 4.153 ambi=1 { CA:57.774 } atom: 355 32K-HB2 B 2.028 ambi=2 { CB:32.403 } :: atom: 371 33L-HA A 4.153 ambi=1 { CA:57.774 } atom: 356 32K-HB3 B 1.997 ambi=2 { CB:32.403 } ::sumAvg: 4.4 atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } atom: 355 32K-HB2 B 2.028 ambi=2 { CB:32.403 } :: atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } atom: 356 32K-HB3 B 1.997 ambi=2 { CB:32.403 } ::sumAvg: 4.79 atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } atom: 355 32K-HB2 B 2.028 ambi=2 { CB:32.403 } :: atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } atom: 355 32K-HB2 B 2.028 ambi=2 { CB:32.403 } :: atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } atom: 356 32K-HB3 B 1.997 ambi=2 { CB:32.403 } :: atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } atom: 356 32K-HB3 B 1.997 ambi=2 { CB:32.403 } ::sumAvg: 4 atom: 355 32K-HB2 B 2.028 ambi=2 { CB:32.403 } atom: 384 34R-H N 8.413 ambi=1 { N:119.206 } :: atom: 356 32K-HB3 B 1.997 ambi=2 { CB:32.403 } atom: 384 34R-H N 8.413 ambi=1 { N:119.206 } ::sumAvg: 4.93 atom: 357 32K-HG2 G 1.608 ambi=2 { CG:25.051 } atom: 370 33L-H N 8.617 ambi=1 { N:120.088 } :: atom: 358 32K-HG3 G 1.44 ambi=2 { CG:25.051 } atom: 370 33L-H N 8.617 ambi=1 { N:120.088 } ::sumAvg: 3.635 atom: 374 33L-HG G 1.904 ambi=1 { CG:27.026 } atom: 358 32K-HG3 G 1.44 ambi=2 { CG:25.051 } ::sumAvg: 4.555 atom: 357 32K-HG2 G 1.608 ambi=2 { CG:25.051 } atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } :: atom: 357 32K-HG2 G 1.608 ambi=2 { CG:25.051 } atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } :: atom: 358 32K-HG3 G 1.44 ambi=2 { CG:25.051 } atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } :: atom: 358 32K-HG3 G 1.44 ambi=2 { CG:25.051 } atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } ::sumAvg: 4.33 atom: 357 32K-HG2 G 1.608 ambi=2 { CG:25.051 } atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } :: atom: 357 32K-HG2 G 1.608 ambi=2 { CG:25.051 } atom: 401 35Q-HB3 B 2.19 ambi=2 { CB:28.331 } :: atom: 358 32K-HG3 G 1.44 ambi=2 { CG:25.051 } atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } :: atom: 358 32K-HG3 G 1.44 ambi=2 { CG:25.051 } atom: 401 35Q-HB3 B 2.19 ambi=2 { CB:28.331 } ::sumAvg: 4.4 atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } atom: 357 32K-HG2 G 1.608 ambi=2 { CG:25.051 } :: atom: 401 35Q-HB3 B 2.19 ambi=2 { CB:28.331 } atom: 357 32K-HG2 G 1.608 ambi=2 { CG:25.051 } :: atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } atom: 358 32K-HG3 G 1.44 ambi=2 { CG:25.051 } :: atom: 401 35Q-HB3 B 2.19 ambi=2 { CB:28.331 } atom: 358 32K-HG3 G 1.44 ambi=2 { CG:25.051 } ::sumAvg: 4.4 atom: 357 32K-HG2 G 1.608 ambi=2 { CG:25.051 } atom: 417 36E-HG2 G 2.449 ambi=2 { CG:36.473 } :: atom: 357 32K-HG2 G 1.608 ambi=2 { CG:25.051 } atom: 418 36E-HG3 G 2.186 ambi=2 { CG:36.473 } :: atom: 358 32K-HG3 G 1.44 ambi=2 { CG:25.051 } atom: 417 36E-HG2 G 2.449 ambi=2 { CG:36.473 } :: atom: 358 32K-HG3 G 1.44 ambi=2 { CG:25.051 } atom: 418 36E-HG3 G 2.186 ambi=2 { CG:36.473 } ::sumAvg: 4.63 atom: 359 32K-QD D 1.694 ambi=2 { CD:29.333 } atom: 370 33L-H N 8.617 ambi=1 { N:120.088 } ::sumAvg: 3.87 atom: 359 32K-QD D 1.694 ambi=2 { CD:29.333 } atom: 371 33L-HA A 4.153 ambi=1 { CA:57.774 } ::sumAvg: 4.285 atom: 359 32K-QD D 1.694 ambi=2 { CD:29.333 } atom: 417 36E-HG2 G 2.449 ambi=2 { CG:36.473 } :: atom: 359 32K-QD D 1.694 ambi=2 { CD:29.333 } atom: 418 36E-HG3 G 2.186 ambi=2 { CG:36.473 } ::sumAvg: 4.425 atom: 386 34R-HB2 B 1.961 ambi=2 { CB:29.772 } atom: 370 33L-H N 8.617 ambi=1 { N:120.088 } :: atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } atom: 370 33L-H N 8.617 ambi=1 { N:120.088 } ::sumAvg: 4.835 atom: 388 34R-HG2 G 1.826 ambi=2 { CG:27.894 } atom: 370 33L-H N 8.617 ambi=1 { N:120.088 } :: atom: 389 34R-HG3 G 1.607 ambi=2 { CG:27.894 } atom: 370 33L-H N 8.617 ambi=1 { N:120.088 } ::sumAvg: 4.715 atom: 372 33L-HB2 B 1.918 ambi=2 { CB:42.585 } atom: 385 34R-HA A 4.009 ambi=1 { CA:59.839 } :: atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } atom: 385 34R-HA A 4.009 ambi=1 { CA:59.839 } ::sumAvg: 4.33 atom: 386 34R-HB2 B 1.961 ambi=2 { CB:29.772 } atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } :: atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } ::sumAvg: 4.99 atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } atom: 388 34R-HG2 G 1.826 ambi=2 { CG:27.894 } ::sumAvg: 3.655 atom: 388 34R-HG2 G 1.826 ambi=2 { CG:27.894 } atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } ::sumAvg: 3.655 atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } atom: 415 36E-HB2 B 2.172 ambi=2 { CB:29.75 } :: atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } atom: 416 36E-HB3 B 2.1 ambi=2 { CB:29.75 } ::sumAvg: 4.16 atom: 372 33L-HB2 B 1.918 ambi=2 { CB:42.585 } atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } :: atom: 372 33L-HB2 B 1.918 ambi=2 { CB:42.585 } atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } :: atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } :: atom: 373 33L-HB3 B 1.353 ambi=2 { CB:42.585 } atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } ::sumAvg: 4.69 atom: 374 33L-HG G 1.904 ambi=1 { CG:27.026 } atom: 384 34R-H N 8.413 ambi=1 { N:119.206 } ::sumAvg: 4.335 atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } atom: 413 36E-H N 7.939 ambi=1 { N:119.554 } :: atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } atom: 413 36E-H N 7.939 ambi=1 { N:119.554 } ::sumAvg: 4.73 atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } atom: 415 36E-HB2 B 2.172 ambi=2 { CB:29.75 } :: atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } atom: 416 36E-HB3 B 2.1 ambi=2 { CB:29.75 } :: atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } atom: 415 36E-HB2 B 2.172 ambi=2 { CB:29.75 } :: atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } atom: 416 36E-HB3 B 2.1 ambi=2 { CB:29.75 } ::sumAvg: 3.7 atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } atom: 417 36E-HG2 G 2.449 ambi=2 { CG:36.473 } :: atom: 375 33L-HD1 D1 0.922 ambi=2 { CD1:26.394 } atom: 418 36E-HG3 G 2.186 ambi=2 { CG:36.473 } :: atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } atom: 417 36E-HG2 G 2.449 ambi=2 { CG:36.473 } :: atom: 376 33L-HD2 D2 0.964 ambi=2 { CD2:22.69 } atom: 418 36E-HG3 G 2.186 ambi=2 { CG:36.473 } ::sumAvg: 3.27 atom: 390 34R-HD2 D 3.202 ambi=2 { CD:43.454 } atom: 384 34R-H N 8.413 ambi=1 { N:119.206 } :: atom: 391 34R-HD3 D 3.147 ambi=2 { CD:43.454 } atom: 384 34R-H N 8.413 ambi=1 { N:119.206 } ::sumAvg: 4.34 atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } atom: 384 34R-H N 8.413 ambi=1 { N:119.206 } :: atom: 401 35Q-HB3 B 2.19 ambi=2 { CB:28.331 } atom: 384 34R-H N 8.413 ambi=1 { N:119.206 } ::sumAvg: 4.755 atom: 415 36E-HB2 B 2.172 ambi=2 { CB:29.75 } atom: 384 34R-H N 8.413 ambi=1 { N:119.206 } :: atom: 416 36E-HB3 B 2.1 ambi=2 { CB:29.75 } atom: 384 34R-H N 8.413 ambi=1 { N:119.206 } ::sumAvg: 4.965 atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } atom: 384 34R-H N 8.413 ambi=1 { N:119.206 } :: atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } atom: 384 34R-H N 8.413 ambi=1 { N:119.206 } ::sumAvg: 4.99 atom: 444 38L-HG G 1.868 ambi=1 { CG:27.095 } atom: 385 34R-HA A 4.009 ambi=1 { CA:59.839 } ::sumAvg: 4.125 atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 385 34R-HA A 4.009 ambi=1 { CA:59.839 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 385 34R-HA A 4.009 ambi=1 { CA:59.839 } ::sumAvg: 4.735 atom: 386 34R-HB2 B 1.961 ambi=2 { CB:29.772 } atom: 402 35Q-HG2 G 2.574 ambi=2 { CG:34.09 } :: atom: 386 34R-HB2 B 1.961 ambi=2 { CB:29.772 } atom: 403 35Q-HG3 G 2.488 ambi=2 { CG:34.09 } :: atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } atom: 402 35Q-HG2 G 2.574 ambi=2 { CG:34.09 } :: atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } atom: 403 35Q-HG3 G 2.488 ambi=2 { CG:34.09 } ::sumAvg: 4.69 atom: 402 35Q-HG2 G 2.574 ambi=2 { CG:34.09 } atom: 386 34R-HB2 B 1.961 ambi=2 { CB:29.772 } :: atom: 403 35Q-HG3 G 2.488 ambi=2 { CG:34.09 } atom: 386 34R-HB2 B 1.961 ambi=2 { CB:29.772 } :: atom: 402 35Q-HG2 G 2.574 ambi=2 { CG:34.09 } atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } :: atom: 403 35Q-HG3 G 2.488 ambi=2 { CG:34.09 } atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } ::sumAvg: 4.69 atom: 386 34R-HB2 B 1.961 ambi=2 { CB:29.772 } atom: 404 35Q-HE21 E2 7.492 ambi=1 { NE2:111.993 } :: atom: 386 34R-HB2 B 1.961 ambi=2 { CB:29.772 } atom: 405 35Q-HE22 E2 6.897 ambi=1 { NE2:111.993 } :: atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } atom: 404 35Q-HE21 E2 7.492 ambi=1 { NE2:111.993 } :: atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } atom: 405 35Q-HE22 E2 6.897 ambi=1 { NE2:111.993 } ::sumAvg: 4.49 atom: 386 34R-HB2 B 1.961 ambi=2 { CB:29.772 } atom: 424 37Y-H N 8.578 ambi=1 { N:120.782 } :: atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } atom: 424 37Y-H N 8.578 ambi=1 { N:120.782 } ::sumAvg: 4.975 atom: 386 34R-HB2 B 1.961 ambi=2 { CB:29.772 } atom: 428 37Y-QD D 7.026 ambi=3 { CD1:132.917 } :: atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } atom: 428 37Y-QD D 7.026 ambi=3 { CD1:132.917 } ::sumAvg: 4.79 atom: 386 34R-HB2 B 1.961 ambi=2 { CB:29.772 } atom: 440 38L-H N 8.229 ambi=1 { N:119.275 } :: atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } atom: 440 38L-H N 8.229 ambi=1 { N:119.275 } ::sumAvg: 4.865 atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 386 34R-HB2 B 1.961 ambi=2 { CB:29.772 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 386 34R-HB2 B 1.961 ambi=2 { CB:29.772 } :: atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 387 34R-HB3 B 1.939 ambi=2 { CB:29.772 } ::sumAvg: 3.515 atom: 388 34R-HG2 G 1.826 ambi=2 { CG:27.894 } atom: 398 35Q-H N 7.85 ambi=1 { N:117.434 } :: atom: 389 34R-HG3 G 1.607 ambi=2 { CG:27.894 } atom: 398 35Q-H N 7.85 ambi=1 { N:117.434 } ::sumAvg: 4.55 atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } atom: 398 35Q-H N 7.85 ambi=1 { N:117.434 } :: atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } atom: 398 35Q-H N 7.85 ambi=1 { N:117.434 } ::sumAvg: 4.955 atom: 444 38L-HG G 1.868 ambi=1 { CG:27.095 } atom: 398 35Q-H N 7.85 ambi=1 { N:117.434 } ::sumAvg: 4.9 atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 398 35Q-H N 7.85 ambi=1 { N:117.434 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 398 35Q-H N 7.85 ambi=1 { N:117.434 } ::sumAvg: 4.54 atom: 399 35Q-HA A 4.085 ambi=1 { CA:58.771 } atom: 404 35Q-HE21 E2 7.492 ambi=1 { NE2:111.993 } :: atom: 399 35Q-HA A 4.085 ambi=1 { CA:58.771 } atom: 405 35Q-HE22 E2 6.897 ambi=1 { NE2:111.993 } ::sumAvg: 3.59 atom: 399 35Q-HA A 4.085 ambi=1 { CA:58.771 } atom: 424 37Y-H N 8.578 ambi=1 { N:120.782 } ::sumAvg: 4.21 atom: 399 35Q-HA A 4.085 ambi=1 { CA:58.771 } atom: 444 38L-HG G 1.868 ambi=1 { CG:27.095 } ::sumAvg: 3.61 atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } atom: 404 35Q-HE21 E2 7.492 ambi=1 { NE2:111.993 } :: atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } atom: 405 35Q-HE22 E2 6.897 ambi=1 { NE2:111.993 } :: atom: 401 35Q-HB3 B 2.19 ambi=2 { CB:28.331 } atom: 404 35Q-HE21 E2 7.492 ambi=1 { NE2:111.993 } :: atom: 401 35Q-HB3 B 2.19 ambi=2 { CB:28.331 } atom: 405 35Q-HE22 E2 6.897 ambi=1 { NE2:111.993 } ::sumAvg: 3.175 atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } atom: 414 36E-HA A 4.015 ambi=1 { CA:59.271 } :: atom: 401 35Q-HB3 B 2.19 ambi=2 { CB:28.331 } atom: 414 36E-HA A 4.015 ambi=1 { CA:59.271 } ::sumAvg: 4.38 atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } atom: 424 37Y-H N 8.578 ambi=1 { N:120.782 } :: atom: 401 35Q-HB3 B 2.19 ambi=2 { CB:28.331 } atom: 424 37Y-H N 8.578 ambi=1 { N:120.782 } ::sumAvg: 4.98 atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } atom: 442 38L-HB2 B 1.868 ambi=2 { CB:42.02 } :: atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } atom: 443 38L-HB3 B 1.585 ambi=2 { CB:42.02 } :: atom: 401 35Q-HB3 B 2.19 ambi=2 { CB:28.331 } atom: 443 38L-HB3 B 1.585 ambi=2 { CB:42.02 } ::sumAvg: 4.66 atom: 442 38L-HB2 B 1.868 ambi=2 { CB:42.02 } atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } :: atom: 443 38L-HB3 B 1.585 ambi=2 { CB:42.02 } atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } :: atom: 443 38L-HB3 B 1.585 ambi=2 { CB:42.02 } atom: 401 35Q-HB3 B 2.19 ambi=2 { CB:28.331 } ::sumAvg: 4.66 atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } :: atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } :: atom: 401 35Q-HB3 B 2.19 ambi=2 { CB:28.331 } atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } :: atom: 401 35Q-HB3 B 2.19 ambi=2 { CB:28.331 } atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } ::sumAvg: 4.895 atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } :: atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 401 35Q-HB3 B 2.19 ambi=2 { CB:28.331 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 401 35Q-HB3 B 2.19 ambi=2 { CB:28.331 } ::sumAvg: 4.895 atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } atom: 460 39K-QD D 1.689 ambi=2 { CD:29.213 } :: atom: 401 35Q-HB3 B 2.19 ambi=2 { CB:28.331 } atom: 460 39K-QD D 1.689 ambi=2 { CD:29.213 } ::sumAvg: 4.63 atom: 460 39K-QD D 1.689 ambi=2 { CD:29.213 } atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } :: atom: 460 39K-QD D 1.689 ambi=2 { CD:29.213 } atom: 401 35Q-HB3 B 2.19 ambi=2 { CB:28.331 } ::sumAvg: 4.63 atom: 400 35Q-HB2 B 2.279 ambi=2 { CB:28.331 } atom: 462 39K-QE E 2.9795 ambi=2 { CE:42.174 } :: atom: 401 35Q-HB3 B 2.19 ambi=2 { CB:28.331 } atom: 462 39K-QE E 2.9795 ambi=2 { CE:42.174 } ::sumAvg: 4.26 atom: 402 35Q-HG2 G 2.574 ambi=2 { CG:34.09 } atom: 413 36E-H N 7.939 ambi=1 { N:119.554 } :: atom: 403 35Q-HG3 G 2.488 ambi=2 { CG:34.09 } atom: 413 36E-H N 7.939 ambi=1 { N:119.554 } ::sumAvg: 4.675 atom: 442 38L-HB2 B 1.868 ambi=2 { CB:42.02 } atom: 402 35Q-HG2 G 2.574 ambi=2 { CG:34.09 } :: atom: 443 38L-HB3 B 1.585 ambi=2 { CB:42.02 } atom: 402 35Q-HG2 G 2.574 ambi=2 { CG:34.09 } :: atom: 442 38L-HB2 B 1.868 ambi=2 { CB:42.02 } atom: 403 35Q-HG3 G 2.488 ambi=2 { CG:34.09 } :: atom: 443 38L-HB3 B 1.585 ambi=2 { CB:42.02 } atom: 403 35Q-HG3 G 2.488 ambi=2 { CG:34.09 } ::sumAvg: 4.95 atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 402 35Q-HG2 G 2.574 ambi=2 { CG:34.09 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 402 35Q-HG2 G 2.574 ambi=2 { CG:34.09 } :: atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 403 35Q-HG3 G 2.488 ambi=2 { CG:34.09 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 403 35Q-HG3 G 2.488 ambi=2 { CG:34.09 } ::sumAvg: 3.995 atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 404 35Q-HE21 E2 7.492 ambi=1 { NE2:111.993 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 404 35Q-HE21 E2 7.492 ambi=1 { NE2:111.993 } :: atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 405 35Q-HE22 E2 6.897 ambi=1 { NE2:111.993 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 405 35Q-HE22 E2 6.897 ambi=1 { NE2:111.993 } ::sumAvg: 4.6 atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } atom: 413 36E-H N 7.939 ambi=1 { N:119.554 } :: atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } atom: 413 36E-H N 7.939 ambi=1 { N:119.554 } ::sumAvg: 4.885 atom: 458 39K-HG2 G 1.574 ambi=2 { CG:25.057 } atom: 413 36E-H N 7.939 ambi=1 { N:119.554 } :: atom: 459 39K-HG3 G 1.454 ambi=2 { CG:25.057 } atom: 413 36E-H N 7.939 ambi=1 { N:119.554 } ::sumAvg: 4.87 atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } atom: 415 36E-HB2 B 2.172 ambi=2 { CB:29.75 } :: atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } atom: 415 36E-HB2 B 2.172 ambi=2 { CB:29.75 } :: atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } atom: 416 36E-HB3 B 2.1 ambi=2 { CB:29.75 } :: atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } atom: 416 36E-HB3 B 2.1 ambi=2 { CB:29.75 } ::sumAvg: 4.28 atom: 460 39K-QD D 1.689 ambi=2 { CD:29.213 } atom: 415 36E-HB2 B 2.172 ambi=2 { CB:29.75 } :: atom: 460 39K-QD D 1.689 ambi=2 { CD:29.213 } atom: 416 36E-HB3 B 2.1 ambi=2 { CB:29.75 } ::sumAvg: 4.945 atom: 460 39K-QD D 1.689 ambi=2 { CD:29.213 } atom: 417 36E-HG2 G 2.449 ambi=2 { CG:36.473 } :: atom: 460 39K-QD D 1.689 ambi=2 { CD:29.213 } atom: 418 36E-HG3 G 2.186 ambi=2 { CG:36.473 } ::sumAvg: 4.915 atom: 417 36E-HG2 G 2.449 ambi=2 { CG:36.473 } atom: 462 39K-QE E 2.9795 ambi=2 { CE:42.174 } :: atom: 418 36E-HG3 G 2.186 ambi=2 { CG:36.473 } atom: 462 39K-QE E 2.9795 ambi=2 { CE:42.174 } ::sumAvg: 4.415 atom: 442 38L-HB2 B 1.868 ambi=2 { CB:42.02 } atom: 424 37Y-H N 8.578 ambi=1 { N:120.782 } :: atom: 443 38L-HB3 B 1.585 ambi=2 { CB:42.02 } atom: 424 37Y-H N 8.578 ambi=1 { N:120.782 } ::sumAvg: 4.785 atom: 425 37Y-HA A 4.164 ambi=1 { CA:60.59 } atom: 430 37Y-QE E 6.763 ambi=3 { CE1:118.294 } ::sumAvg: 4.64 atom: 425 37Y-HA A 4.164 ambi=1 { CA:60.59 } atom: 454 39K-H N 7.79 ambi=1 { N:118.917 } ::sumAvg: 4.835 atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } atom: 430 37Y-QE E 6.763 ambi=3 { CE1:118.294 } :: atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } atom: 430 37Y-QE E 6.763 ambi=3 { CE1:118.294 } ::sumAvg: 4.405 atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } atom: 441 38L-HA A 4.072 ambi=1 { CA:57.053 } :: atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } atom: 441 38L-HA A 4.072 ambi=1 { CA:57.053 } ::sumAvg: 4.38 atom: 442 38L-HB2 B 1.868 ambi=2 { CB:42.02 } atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } :: atom: 443 38L-HB3 B 1.585 ambi=2 { CB:42.02 } atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } :: atom: 442 38L-HB2 B 1.868 ambi=2 { CB:42.02 } atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } :: atom: 443 38L-HB3 B 1.585 ambi=2 { CB:42.02 } atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } ::sumAvg: 4.805 atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 426 37Y-HB2 B 3.252 ambi=2 { CB:38.709 } :: atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 427 37Y-HB3 B 3.027 ambi=2 { CB:38.709 } ::sumAvg: 3.875 atom: 479 41F-HB2 B 3.047 ambi=2 { CB:39.408 } atom: 428 37Y-QD D 7.026 ambi=3 { CD1:132.917 } :: atom: 480 41F-HB3 B 2.891 ambi=2 { CB:39.408 } atom: 428 37Y-QD D 7.026 ambi=3 { CD1:132.917 } ::sumAvg: 4.955 atom: 441 38L-HA A 4.072 ambi=1 { CA:57.053 } atom: 430 37Y-QE E 6.763 ambi=3 { CE1:118.294 } ::sumAvg: 4.915 atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 430 37Y-QE E 6.763 ambi=3 { CE1:118.294 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 430 37Y-QE E 6.763 ambi=3 { CE1:118.294 } ::sumAvg: 3.705 atom: 456 39K-QB B 1.886 ambi=2 { CB:32.466 } atom: 440 38L-H N 8.229 ambi=1 { N:119.275 } ::sumAvg: 4.72 atom: 460 39K-QD D 1.689 ambi=2 { CD:29.213 } atom: 440 38L-H N 8.229 ambi=1 { N:119.275 } ::sumAvg: 4.965 atom: 479 41F-HB2 B 3.047 ambi=2 { CB:39.408 } atom: 440 38L-H N 8.229 ambi=1 { N:119.275 } :: atom: 480 41F-HB3 B 2.891 ambi=2 { CB:39.408 } atom: 440 38L-H N 8.229 ambi=1 { N:119.275 } ::sumAvg: 4.91 atom: 441 38L-HA A 4.072 ambi=1 { CA:57.053 } atom: 477 41F-H N 7.859 ambi=1 { N:120.317 } ::sumAvg: 3.69 atom: 442 38L-HB2 B 1.868 ambi=2 { CB:42.02 } atom: 455 39K-HA A 4.152 ambi=1 { CA:58.197 } :: atom: 443 38L-HB3 B 1.585 ambi=2 { CB:42.02 } atom: 455 39K-HA A 4.152 ambi=1 { CA:58.197 } ::sumAvg: 4.415 atom: 442 38L-HB2 B 1.868 ambi=2 { CB:42.02 } atom: 459 39K-HG3 G 1.454 ambi=2 { CG:25.057 } ::sumAvg: 4.64 atom: 442 38L-HB2 B 1.868 ambi=2 { CB:42.02 } atom: 471 40G-H N 7.885 ambi=1 { N:106.796 } :: atom: 443 38L-HB3 B 1.585 ambi=2 { CB:42.02 } atom: 471 40G-H N 7.885 ambi=1 { N:106.796 } ::sumAvg: 4.055 atom: 442 38L-HB2 B 1.868 ambi=2 { CB:42.02 } atom: 477 41F-H N 7.859 ambi=1 { N:120.317 } :: atom: 443 38L-HB3 B 1.585 ambi=2 { CB:42.02 } atom: 477 41F-H N 7.859 ambi=1 { N:120.317 } ::sumAvg: 3.78 atom: 442 38L-HB2 B 1.868 ambi=2 { CB:42.02 } atom: 479 41F-HB2 B 3.047 ambi=2 { CB:39.408 } :: atom: 442 38L-HB2 B 1.868 ambi=2 { CB:42.02 } atom: 480 41F-HB3 B 2.891 ambi=2 { CB:39.408 } :: atom: 443 38L-HB3 B 1.585 ambi=2 { CB:42.02 } atom: 479 41F-HB2 B 3.047 ambi=2 { CB:39.408 } :: atom: 443 38L-HB3 B 1.585 ambi=2 { CB:42.02 } atom: 480 41F-HB3 B 2.891 ambi=2 { CB:39.408 } ::sumAvg: 3.45 atom: 442 38L-HB2 B 1.868 ambi=2 { CB:42.02 } atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } :: atom: 443 38L-HB3 B 1.585 ambi=2 { CB:42.02 } atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } ::sumAvg: 4.69 atom: 444 38L-HG G 1.868 ambi=1 { CG:27.095 } atom: 454 39K-H N 7.79 ambi=1 { N:118.917 } ::sumAvg: 4.54 atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 454 39K-H N 7.79 ambi=1 { N:118.917 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 454 39K-H N 7.79 ambi=1 { N:118.917 } ::sumAvg: 4.395 atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 477 41F-H N 7.859 ambi=1 { N:120.317 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 477 41F-H N 7.859 ambi=1 { N:120.317 } ::sumAvg: 4.335 atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 479 41F-HB2 B 3.047 ambi=2 { CB:39.408 } :: atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 480 41F-HB3 B 2.891 ambi=2 { CB:39.408 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 479 41F-HB2 B 3.047 ambi=2 { CB:39.408 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 480 41F-HB3 B 2.891 ambi=2 { CB:39.408 } ::sumAvg: 2.76 atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } ::sumAvg: 3.525 atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 483 41F-QE E 7.186 ambi=3 { CE1:131.422 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 483 41F-QE E 7.186 ambi=3 { CE1:131.422 } ::sumAvg: 4.955 atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 495 42R-H N 8.044 ambi=1 { N:121.581 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 495 42R-H N 8.044 ambi=1 { N:121.581 } ::sumAvg: 4.27 atom: 445 38L-HD1 D1 0.922 ambi=2 { CD1:25.277 } atom: 501 42R-QD D 3.171 ambi=2 { CD:43.437 } :: atom: 446 38L-HD2 D2 0.888 ambi=2 { CD2:22.928 } atom: 501 42R-QD D 3.171 ambi=2 { CD:43.437 } ::sumAvg: 4.915 atom: 460 39K-QD D 1.689 ambi=2 { CD:29.213 } atom: 454 39K-H N 7.79 ambi=1 { N:118.917 } ::sumAvg: 3.39 atom: 462 39K-QE E 2.9795 ambi=2 { CE:42.174 } atom: 454 39K-H N 7.79 ambi=1 { N:118.917 } ::sumAvg: 4.46 atom: 479 41F-HB2 B 3.047 ambi=2 { CB:39.408 } atom: 454 39K-H N 7.79 ambi=1 { N:118.917 } :: atom: 480 41F-HB3 B 2.891 ambi=2 { CB:39.408 } atom: 454 39K-H N 7.79 ambi=1 { N:118.917 } ::sumAvg: 4.63 atom: 460 39K-QD D 1.689 ambi=2 { CD:29.213 } atom: 455 39K-HA A 4.152 ambi=1 { CA:58.197 } ::sumAvg: 2.925 atom: 458 39K-HG2 G 1.574 ambi=2 { CG:25.057 } atom: 471 40G-H N 7.885 ambi=1 { N:106.796 } :: atom: 459 39K-HG3 G 1.454 ambi=2 { CG:25.057 } atom: 471 40G-H N 7.885 ambi=1 { N:106.796 } ::sumAvg: 4.8 atom: 472 40G-HA2 A 3.97 ambi=2 { CA:45.758 } atom: 478 41F-HA A 4.455 ambi=1 { CA:58.735 } :: atom: 473 40G-HA3 A 3.768 ambi=2 { CA:45.758 } atom: 478 41F-HA A 4.455 ambi=1 { CA:58.735 } ::sumAvg: 4.485 atom: 499 42R-HG2 G 1.618 ambi=2 { CG:27.282 } atom: 478 41F-HA A 4.455 ambi=1 { CA:58.735 } :: atom: 500 42R-HG3 G 1.589 ambi=2 { CG:27.282 } atom: 478 41F-HA A 4.455 ambi=1 { CA:58.735 } ::sumAvg: 4.425 atom: 479 41F-HB2 B 3.047 ambi=2 { CB:39.408 } atom: 495 42R-H N 8.044 ambi=1 { N:121.581 } :: atom: 480 41F-HB3 B 2.891 ambi=2 { CB:39.408 } atom: 495 42R-H N 8.044 ambi=1 { N:121.581 } ::sumAvg: 3.36 atom: 499 42R-HG2 G 1.618 ambi=2 { CG:27.282 } atom: 479 41F-HB2 B 3.047 ambi=2 { CB:39.408 } :: atom: 500 42R-HG3 G 1.589 ambi=2 { CG:27.282 } atom: 479 41F-HB2 B 3.047 ambi=2 { CB:39.408 } :: atom: 499 42R-HG2 G 1.618 ambi=2 { CG:27.282 } atom: 480 41F-HB3 B 2.891 ambi=2 { CB:39.408 } :: atom: 500 42R-HG3 G 1.589 ambi=2 { CG:27.282 } atom: 480 41F-HB3 B 2.891 ambi=2 { CB:39.408 } ::sumAvg: 4.25 atom: 496 42R-HA A 4.269 ambi=1 { CA:56.505 } atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } ::sumAvg: 4.69 atom: 497 42R-HB2 B 1.85 ambi=2 { CB:30.801 } atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } :: atom: 498 42R-HB3 B 1.763 ambi=2 { CB:30.801 } atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } ::sumAvg: 4.815 atom: 499 42R-HG2 G 1.618 ambi=2 { CG:27.282 } atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } :: atom: 500 42R-HG3 G 1.589 ambi=2 { CG:27.282 } atom: 481 41F-QD D 7.169 ambi=3 { CD1:131.872 } ::sumAvg: 3.96 atom: 497 42R-HB2 B 1.85 ambi=2 { CB:30.801 } atom: 495 42R-H N 8.044 ambi=1 { N:121.581 } :: atom: 498 42R-HB3 B 1.763 ambi=2 { CB:30.801 } atom: 495 42R-H N 8.044 ambi=1 { N:121.581 } ::sumAvg: 3.05 atom: 499 42R-HG2 G 1.618 ambi=2 { CG:27.282 } atom: 495 42R-H N 8.044 ambi=1 { N:121.581 } :: atom: 500 42R-HG3 G 1.589 ambi=2 { CG:27.282 } atom: 495 42R-H N 8.044 ambi=1 { N:121.581 } ::sumAvg: 2.555 atom: 501 42R-QD D 3.171 ambi=2 { CD:43.437 } atom: 495 42R-H N 8.044 ambi=1 { N:121.581 } ::sumAvg: 3.82 atom: 497 42R-HB2 B 1.85 ambi=2 { CB:30.801 } atom: 509 43S-H N 8.218 ambi=1 { N:116.338 } :: atom: 498 42R-HB3 B 1.763 ambi=2 { CB:30.801 } atom: 509 43S-H N 8.218 ambi=1 { N:116.338 } ::sumAvg: 3.155 atom: 510 43S-HA A 4.389 ambi=1 { CA:58.809 } atom: 497 42R-HB2 B 1.85 ambi=2 { CB:30.801 } :: atom: 510 43S-HA A 4.389 ambi=1 { CA:58.809 } atom: 498 42R-HB3 B 1.763 ambi=2 { CB:30.801 } ::sumAvg: 4.94 atom: 499 42R-HG2 G 1.618 ambi=2 { CG:27.282 } atom: 509 43S-H N 8.218 ambi=1 { N:116.338 } :: atom: 500 42R-HG3 G 1.589 ambi=2 { CG:27.282 } atom: 509 43S-H N 8.218 ambi=1 { N:116.338 } ::sumAvg: 3.825 atom: 501 42R-QD D 3.171 ambi=2 { CD:43.437 } atom: 509 43S-H N 8.218 ambi=1 { N:116.338 } ::sumAvg: 4.945 atom: 511 43S-HB2 B 3.926 ambi=2 { CB:63.615 } atom: 509 43S-H N 8.218 ambi=1 { N:116.338 } :: atom: 512 43S-HB3 B 3.87 ambi=2 { CB:63.615 } atom: 509 43S-H N 8.218 ambi=1 { N:116.338 } ::sumAvg: 2.855 atom: 511 43S-HB2 B 3.926 ambi=2 { CB:63.615 } atom: 517 44S-H N 8.247 ambi=1 { N:117.375 } :: atom: 512 43S-HB3 B 3.87 ambi=2 { CB:63.615 } atom: 517 44S-H N 8.247 ambi=1 { N:117.375 } ::sumAvg: 3.8 atom: 519 44S-HB2 B 3.922 ambi=2 { CB:63.743 } atom: 517 44S-H N 8.247 ambi=1 { N:117.375 } :: atom: 520 44S-HB3 B 3.868 ambi=2 { CB:63.743 } atom: 517 44S-H N 8.247 ambi=1 { N:117.375 } ::sumAvg: 2.955 atom: 519 44S-HB2 B 3.922 ambi=2 { CB:63.743 } atom: 525 45M-H N 8.194 ambi=1 { N:122.021 } :: atom: 520 44S-HB3 B 3.868 ambi=2 { CB:63.743 } atom: 525 45M-H N 8.194 ambi=1 { N:122.021 } ::sumAvg: 3.45 atom: 526 45M-HA A 4.417 ambi=1 { CA:55.795 } atom: 519 44S-HB2 B 3.922 ambi=2 { CB:63.743 } :: atom: 526 45M-HA A 4.417 ambi=1 { CA:55.795 } atom: 520 44S-HB3 B 3.868 ambi=2 { CB:63.743 } ::sumAvg: 4.71 atom: 519 44S-HB2 B 3.922 ambi=2 { CB:63.743 } atom: 536 46K-H N 8.22 ambi=1 { N:122.277 } :: atom: 520 44S-HB3 B 3.868 ambi=2 { CB:63.743 } atom: 536 46K-H N 8.22 ambi=1 { N:122.277 } ::sumAvg: 4.83 atom: 527 45M-HB2 B 2.055 ambi=2 { CB:32.84 } atom: 525 45M-H N 8.194 ambi=1 { N:122.021 } :: atom: 528 45M-HB3 B 1.975 ambi=2 { CB:32.84 } atom: 525 45M-H N 8.194 ambi=1 { N:122.021 } ::sumAvg: 2.955 atom: 529 45M-HG2 G 2.542 ambi=2 { CG:32.014 } atom: 525 45M-H N 8.194 ambi=1 { N:122.021 } :: atom: 530 45M-HG3 G 2.473 ambi=2 { CG:32.014 } atom: 525 45M-H N 8.194 ambi=1 { N:122.021 } ::sumAvg: 3.195 atom: 526 45M-HA A 4.417 ambi=1 { CA:55.795 } atom: 538 46K-HB2 B 1.801 ambi=2 { CB:32.834 } :: atom: 526 45M-HA A 4.417 ambi=1 { CA:55.795 } atom: 539 46K-HB3 B 1.73 ambi=2 { CB:32.834 } ::sumAvg: 4.96 atom: 538 46K-HB2 B 1.801 ambi=2 { CB:32.834 } atom: 526 45M-HA A 4.417 ambi=1 { CA:55.795 } :: atom: 539 46K-HB3 B 1.73 ambi=2 { CB:32.834 } atom: 526 45M-HA A 4.417 ambi=1 { CA:55.795 } ::sumAvg: 4.96 atom: 527 45M-HB2 B 2.055 ambi=2 { CB:32.84 } atom: 536 46K-H N 8.22 ambi=1 { N:122.277 } :: atom: 528 45M-HB3 B 1.975 ambi=2 { CB:32.84 } atom: 536 46K-H N 8.22 ambi=1 { N:122.277 } ::sumAvg: 3.51 atom: 527 45M-HB2 B 2.055 ambi=2 { CB:32.84 } atom: 553 47L-H N 8.21 ambi=1 { N:123.549 } :: atom: 528 45M-HB3 B 1.975 ambi=2 { CB:32.84 } atom: 553 47L-H N 8.21 ambi=1 { N:123.549 } ::sumAvg: 4.805 atom: 529 45M-HG2 G 2.542 ambi=2 { CG:32.014 } atom: 536 46K-H N 8.22 ambi=1 { N:122.277 } :: atom: 530 45M-HG3 G 2.473 ambi=2 { CG:32.014 } atom: 536 46K-H N 8.22 ambi=1 { N:122.277 } ::sumAvg: 3.785 atom: 529 45M-HG2 G 2.542 ambi=2 { CG:32.014 } atom: 553 47L-H N 8.21 ambi=1 { N:123.549 } :: atom: 530 45M-HG3 G 2.473 ambi=2 { CG:32.014 } atom: 553 47L-H N 8.21 ambi=1 { N:123.549 } ::sumAvg: 4.95 atom: 540 46K-HG2 G 1.428 ambi=2 { CG:24.8 } atom: 536 46K-H N 8.22 ambi=1 { N:122.277 } :: atom: 541 46K-HG3 G 1.358 ambi=2 { CG:24.8 } atom: 536 46K-H N 8.22 ambi=1 { N:122.277 } ::sumAvg: 3.44 atom: 542 46K-QD D 1.659 ambi=2 { CD:29.089 } atom: 536 46K-H N 8.22 ambi=1 { N:122.277 } ::sumAvg: 3.84 atom: 542 46K-QD D 1.659 ambi=2 { CD:29.089 } atom: 537 46K-HA A 4.276 ambi=1 { CA:56.399 } ::sumAvg: 3.24 atom: 537 46K-HA A 4.276 ambi=1 { CA:56.399 } atom: 544 46K-QE E 2.975 ambi=2 { CE:42.169 } ::sumAvg: 3.765 atom: 544 46K-QE E 2.975 ambi=2 { CE:42.169 } atom: 537 46K-HA A 4.276 ambi=1 { CA:56.399 } ::sumAvg: 3.765 atom: 537 46K-HA A 4.276 ambi=1 { CA:56.399 } atom: 558 47L-HD1 D1 0.881 ambi=2 { CD1:24.964 } :: atom: 537 46K-HA A 4.276 ambi=1 { CA:56.399 } atom: 559 47L-HD2 D2 0.821 ambi=2 { CD2:23.522 } ::sumAvg: 4.405 atom: 558 47L-HD1 D1 0.881 ambi=2 { CD1:24.964 } atom: 538 46K-HB2 B 1.801 ambi=2 { CB:32.834 } :: atom: 559 47L-HD2 D2 0.821 ambi=2 { CD2:23.522 } atom: 538 46K-HB2 B 1.801 ambi=2 { CB:32.834 } :: atom: 558 47L-HD1 D1 0.881 ambi=2 { CD1:24.964 } atom: 539 46K-HB3 B 1.73 ambi=2 { CB:32.834 } :: atom: 559 47L-HD2 D2 0.821 ambi=2 { CD2:23.522 } atom: 539 46K-HB3 B 1.73 ambi=2 { CB:32.834 } ::sumAvg: 4.855 atom: 538 46K-HB2 B 1.801 ambi=2 { CB:32.834 } atom: 567 48E-H N 8.366 ambi=1 { N:121.59 } :: atom: 539 46K-HB3 B 1.73 ambi=2 { CB:32.834 } atom: 567 48E-H N 8.366 ambi=1 { N:121.59 } ::sumAvg: 4.99 atom: 540 46K-HG2 G 1.428 ambi=2 { CG:24.8 } atom: 553 47L-H N 8.21 ambi=1 { N:123.549 } :: atom: 541 46K-HG3 G 1.358 ambi=2 { CG:24.8 } atom: 553 47L-H N 8.21 ambi=1 { N:123.549 } ::sumAvg: 3.675 atom: 542 46K-QD D 1.659 ambi=2 { CD:29.089 } atom: 553 47L-H N 8.21 ambi=1 { N:123.549 } ::sumAvg: 4.365 atom: 542 46K-QD D 1.659 ambi=2 { CD:29.089 } atom: 554 47L-HA A 4.299 ambi=1 { CA:55.134 } ::sumAvg: 4.88 atom: 554 47L-HA A 4.299 ambi=1 { CA:55.134 } atom: 542 46K-QD D 1.659 ambi=2 { CD:29.089 } ::sumAvg: 4.88 atom: 544 46K-QE E 2.975 ambi=2 { CE:42.169 } atom: 553 47L-H N 8.21 ambi=1 { N:123.549 } ::sumAvg: 4.595 atom: 557 47L-HG G 1.561 ambi=1 { CG:27.118 } atom: 553 47L-H N 8.21 ambi=1 { N:123.549 } ::sumAvg: 3.43 atom: 568 48E-HA A 4.211 ambi=1 { CA:56.461 } atom: 553 47L-H N 8.21 ambi=1 { N:123.549 } ::sumAvg: 4.935 atom: 555 47L-HB2 B 1.573 ambi=2 { CB:42.301 } atom: 567 48E-H N 8.366 ambi=1 { N:121.59 } :: atom: 556 47L-HB3 B 1.483 ambi=2 { CB:42.301 } atom: 567 48E-H N 8.366 ambi=1 { N:121.59 } ::sumAvg: 3.3 atom: 555 47L-HB2 B 1.573 ambi=2 { CB:42.301 } atom: 568 48E-HA A 4.211 ambi=1 { CA:56.461 } :: atom: 556 47L-HB3 B 1.483 ambi=2 { CB:42.301 } atom: 568 48E-HA A 4.211 ambi=1 { CA:56.461 } ::sumAvg: 4.715 atom: 568 48E-HA A 4.211 ambi=1 { CA:56.461 } atom: 555 47L-HB2 B 1.573 ambi=2 { CB:42.301 } :: atom: 568 48E-HA A 4.211 ambi=1 { CA:56.461 } atom: 556 47L-HB3 B 1.483 ambi=2 { CB:42.301 } ::sumAvg: 4.715 atom: 557 47L-HG G 1.561 ambi=1 { CG:27.118 } atom: 567 48E-H N 8.366 ambi=1 { N:121.59 } ::sumAvg: 3.985 atom: 558 47L-HD1 D1 0.881 ambi=2 { CD1:24.964 } atom: 567 48E-H N 8.366 ambi=1 { N:121.59 } :: atom: 559 47L-HD2 D2 0.821 ambi=2 { CD2:23.522 } atom: 567 48E-H N 8.366 ambi=1 { N:121.59 } ::sumAvg: 3.315 atom: 558 47L-HD1 D1 0.881 ambi=2 { CD1:24.964 } atom: 568 48E-HA A 4.211 ambi=1 { CA:56.461 } :: atom: 559 47L-HD2 D2 0.821 ambi=2 { CD2:23.522 } atom: 568 48E-HA A 4.211 ambi=1 { CA:56.461 } ::sumAvg: 4.56 atom: 568 48E-HA A 4.211 ambi=1 { CA:56.461 } atom: 558 47L-HD1 D1 0.881 ambi=2 { CD1:24.964 } :: atom: 568 48E-HA A 4.211 ambi=1 { CA:56.461 } atom: 559 47L-HD2 D2 0.821 ambi=2 { CD2:23.522 } ::sumAvg: 4.56 atom: 571 48E-HG2 G 2.186 ambi=2 { CG:36.149 } atom: 567 48E-H N 8.366 ambi=1 { N:121.59 } :: atom: 572 48E-HG3 G 2.125 ambi=2 { CG:36.149 } atom: 567 48E-H N 8.366 ambi=1 { N:121.59 } ::sumAvg: 3.295