# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 18 3S-H N 9.133 ambi=1 { N:120.759 } atom: 13 2T-HG2 G2 1.327 ambi=1 { CG2:22.009 } ::sumAvg: 3.17 atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } atom: 13 2T-HG2 G2 1.327 ambi=1 { CG2:22.009 } ::sumAvg: 4.205 atom: 67 7R-HE E 7.121 ambi=1 { NE:83.797 } atom: 13 2T-HG2 G2 1.327 ambi=1 { CG2:22.009 } ::sumAvg: 3.18 atom: 35 5F-H N 9.106 ambi=1 { N:121.11 } atom: 20 3S-HB2 B 4.399 ambi=2 { CB:65.053 } :: atom: 35 5F-H N 9.106 ambi=1 { N:121.11 } atom: 21 3S-HB3 B 4.151 ambi=2 { CB:65.053 } ::sumAvg: 3.01 atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } atom: 20 3S-HB2 B 4.399 ambi=2 { CB:65.053 } :: atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } atom: 21 3S-HB3 B 4.151 ambi=2 { CB:65.053 } ::sumAvg: 4.99 atom: 18 3S-H N 9.133 ambi=1 { N:120.759 } atom: 20 3S-HB2 B 4.399 ambi=2 { CB:65.053 } :: atom: 18 3S-H N 9.133 ambi=1 { N:120.759 } atom: 21 3S-HB3 B 4.151 ambi=2 { CB:65.053 } ::sumAvg: 2.895 atom: 18 3S-H N 9.133 ambi=1 { N:120.759 } atom: 19 3S-HA A 4.748 ambi=1 { CA:58.122 } ::sumAvg: 2.865 atom: 18 3S-H N 9.133 ambi=1 { N:120.759 } atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } ::sumAvg: 4.695 atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } atom: 18 3S-H N 9.133 ambi=1 { N:120.759 } ::sumAvg: 4.695 atom: 18 3S-H N 9.133 ambi=1 { N:120.759 } atom: 63 7R-HG2 G 1.917 ambi=2 { CG:27.13 } :: atom: 18 3S-H N 9.133 ambi=1 { N:120.759 } atom: 64 7R-HG3 G 1.613 ambi=2 { CG:27.13 } ::sumAvg: 4.57 atom: 35 5F-H N 9.106 ambi=1 { N:121.11 } atom: 19 3S-HA A 4.748 ambi=1 { CA:58.122 } ::sumAvg: 4.2 atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } ::sumAvg: 3.705 atom: 35 5F-H N 9.106 ambi=1 { N:121.11 } atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } ::sumAvg: 2.92 atom: 966 85D-H N 8.336 ambi=1 { N:120.167 } atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } ::sumAvg: 4.38 atom: 26 4T-H N 8.914 ambi=1 { N:120.456 } atom: 37 5F-HB2 B 3.171 ambi=2 { CB:38.669 } :: atom: 26 4T-H N 8.914 ambi=1 { N:120.456 } atom: 38 5F-HB3 B 2.907 ambi=2 { CB:38.669 } ::sumAvg: 4.895 atom: 26 4T-H N 8.914 ambi=1 { N:120.456 } atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } ::sumAvg: 4.805 atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } ::sumAvg: 4.835 atom: 974 86E-H N 8.06 ambi=1 { N:121.15 } atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } ::sumAvg: 4.71 atom: 999 88V-H N 9.041 ambi=1 { N:122.841 } atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } ::sumAvg: 4.895 atom: 35 5F-H N 9.106 ambi=1 { N:121.11 } atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } ::sumAvg: 4.31 atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } atom: 35 5F-H N 9.106 ambi=1 { N:121.11 } ::sumAvg: 4.31 atom: 35 5F-H N 9.106 ambi=1 { N:121.11 } atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } :: atom: 35 5F-H N 9.106 ambi=1 { N:121.11 } atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } ::sumAvg: 4.54 atom: 35 5F-H N 9.106 ambi=1 { N:121.11 } atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } ::sumAvg: 4.985 atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } atom: 35 5F-H N 9.106 ambi=1 { N:121.11 } ::sumAvg: 4.985 atom: 922 81A-H N 8.579 ambi=1 { N:118.122 } atom: 36 5F-HA A 3.791 ambi=1 { CA:62.704 } ::sumAvg: 4.98 atom: 86 9A-H N 8.936 ambi=1 { N:122.831 } atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } ::sumAvg: 4.65 atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } ::sumAvg: 4.435 atom: 922 81A-H N 8.579 ambi=1 { N:118.122 } atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } ::sumAvg: 4.47 atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } ::sumAvg: 4.81 atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } ::sumAvg: 4.85 atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } ::sumAvg: 4.18 atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } atom: 43 5F-HZ Z 6.872 ambi=1 { CZ:128.681 } ::sumAvg: 3.99 atom: 67 7R-HE E 7.121 ambi=1 { NE:83.797 } atom: 61 7R-HB2 B 2.154 ambi=2 { CB:31.146 } :: atom: 67 7R-HE E 7.121 ambi=1 { NE:83.797 } atom: 62 7R-HB3 B 2.021 ambi=2 { CB:31.146 } ::sumAvg: 3.505 atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } atom: 61 7R-HB2 B 2.154 ambi=2 { CB:31.146 } :: atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } atom: 62 7R-HB3 B 2.021 ambi=2 { CB:31.146 } ::sumAvg: 2.515 atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } atom: 65 7R-HD2 D 3.16 ambi=2 { CD:43.632 } :: atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } atom: 66 7R-HD3 D 2.99 ambi=2 { CD:43.632 } ::sumAvg: 3.825 atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } atom: 67 7R-HE E 7.121 ambi=1 { NE:83.797 } ::sumAvg: 4.445 atom: 67 7R-HE E 7.121 ambi=1 { NE:83.797 } atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } ::sumAvg: 4.445 atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } :: atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } ::sumAvg: 4.195 atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } ::sumAvg: 4.595 atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } atom: 86 9A-H N 8.936 ambi=1 { N:122.831 } ::sumAvg: 3.985 atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } ::sumAvg: 4.77 atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } ::sumAvg: 4.53 atom: 67 7R-HE E 7.121 ambi=1 { NE:83.797 } atom: 60 7R-HA A 4.051 ambi=1 { CA:59.316 } ::sumAvg: 3.78 atom: 86 9A-H N 8.936 ambi=1 { N:122.831 } atom: 60 7R-HA A 4.051 ambi=1 { CA:59.316 } ::sumAvg: 4.32 atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } atom: 60 7R-HA A 4.051 ambi=1 { CA:59.316 } ::sumAvg: 4.44 atom: 67 7R-HE E 7.121 ambi=1 { NE:83.797 } atom: 63 7R-HG2 G 1.917 ambi=2 { CG:27.13 } :: atom: 67 7R-HE E 7.121 ambi=1 { NE:83.797 } atom: 64 7R-HG3 G 1.613 ambi=2 { CG:27.13 } ::sumAvg: 2.82 atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } atom: 63 7R-HG2 G 1.917 ambi=2 { CG:27.13 } :: atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } atom: 64 7R-HG3 G 1.613 ambi=2 { CG:27.13 } ::sumAvg: 4.285 atom: 67 7R-HE E 7.121 ambi=1 { NE:83.797 } atom: 65 7R-HD2 D 3.16 ambi=2 { CD:43.632 } :: atom: 67 7R-HE E 7.121 ambi=1 { NE:83.797 } atom: 66 7R-HD3 D 2.99 ambi=2 { CD:43.632 } ::sumAvg: 2.505 atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } :: atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } ::sumAvg: 4.655 atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } atom: 93 10T-H N 7.804 ambi=1 { N:114.24 } ::sumAvg: 4.37 atom: 93 10T-H N 7.804 ambi=1 { N:114.24 } atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } ::sumAvg: 4.37 atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } ::sumAvg: 4.87 atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } ::sumAvg: 4.87 atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } ::sumAvg: 3.825 atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } ::sumAvg: 2.685 atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } ::sumAvg: 4.415 atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } ::sumAvg: 4.955 atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } ::sumAvg: 4.9 atom: 93 10T-H N 7.804 ambi=1 { N:114.24 } atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } ::sumAvg: 4.595 atom: 116 12I-H N 8.765 ambi=1 { N:123.056 } atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } ::sumAvg: 4.195 atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } ::sumAvg: 4.42 atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } ::sumAvg: 4.15 atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } ::sumAvg: 4.51 atom: 86 9A-H N 8.936 ambi=1 { N:122.831 } atom: 95 10T-HB B 4.278 ambi=1 { CB:68.902 } ::sumAvg: 4.86 atom: 86 9A-H N 8.936 ambi=1 { N:122.831 } atom: 96 10T-HG2 G2 1.222 ambi=1 { CG2:21.714 } ::sumAvg: 4.9 atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } atom: 86 9A-H N 8.936 ambi=1 { N:122.831 } ::sumAvg: 3.99 atom: 86 9A-H N 8.936 ambi=1 { N:122.831 } atom: 104 11I-HB B 2.016 ambi=1 { CB:38.514 } ::sumAvg: 4.935 atom: 86 9A-H N 8.936 ambi=1 { N:122.831 } atom: 122 12I-HD1 D1 0.757 ambi=1 { CD1:14.757 } ::sumAvg: 4.81 atom: 86 9A-H N 8.936 ambi=1 { N:122.831 } atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } ::sumAvg: 4.53 atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } atom: 94 10T-HA A 3.797 ambi=1 { CA:67.398 } ::sumAvg: 3.545 atom: 116 12I-H N 8.765 ambi=1 { N:123.056 } atom: 94 10T-HA A 3.797 ambi=1 { CA:67.398 } ::sumAvg: 4.685 atom: 137 14E-H N 8.28 ambi=1 { N:114.386 } atom: 94 10T-HA A 3.797 ambi=1 { CA:67.398 } ::sumAvg: 4.15 atom: 207 20R-HE E 7.419 ambi=1 { NE:84.58 } atom: 95 10T-HB B 4.278 ambi=1 { CB:68.902 } ::sumAvg: 4.7 atom: 93 10T-H N 7.804 ambi=1 { N:114.24 } atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } :: atom: 93 10T-H N 7.804 ambi=1 { N:114.24 } atom: 106 11I-HG13 G1 1.087 ambi=2 { CG1:29.844 } ::sumAvg: 4.55 atom: 93 10T-H N 7.804 ambi=1 { N:114.24 } atom: 116 12I-H N 8.765 ambi=1 { N:123.056 } ::sumAvg: 4.43 atom: 116 12I-H N 8.765 ambi=1 { N:123.056 } atom: 93 10T-H N 7.804 ambi=1 { N:114.24 } ::sumAvg: 4.43 atom: 93 10T-H N 7.804 ambi=1 { N:114.24 } atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } ::sumAvg: 4.765 atom: 93 10T-H N 7.804 ambi=1 { N:114.24 } atom: 132 13A-HB B 1.56 ambi=1 { CB:18.461 } ::sumAvg: 4.45 atom: 93 10T-H N 7.804 ambi=1 { N:114.24 } atom: 205 20R-HD2 D 3.203 ambi=2 { CD:42.308 } :: atom: 93 10T-H N 7.804 ambi=1 { N:114.24 } atom: 206 20R-HD3 D 2.952 ambi=2 { CD:42.308 } ::sumAvg: 4.225 atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } atom: 96 10T-HG2 G2 1.222 ambi=1 { CG2:21.714 } ::sumAvg: 4.945 atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } atom: 132 13A-HB B 1.56 ambi=1 { CB:18.461 } ::sumAvg: 4.555 atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } atom: 137 14E-H N 8.28 ambi=1 { N:114.386 } ::sumAvg: 4.94 atom: 137 14E-H N 8.28 ambi=1 { N:114.386 } atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } ::sumAvg: 4.94 atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } atom: 103 11I-HA A 3.878 ambi=1 { CA:65.504 } ::sumAvg: 4.425 atom: 148 15T-H N 8.405 ambi=1 { N:115.39 } atom: 103 11I-HA A 3.878 ambi=1 { CA:65.504 } ::sumAvg: 4.06 atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } atom: 104 11I-HB B 2.016 ambi=1 { CB:38.514 } ::sumAvg: 4.88 atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } ::sumAvg: 4.86 atom: 148 15T-H N 8.405 ambi=1 { N:115.39 } atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } ::sumAvg: 4.095 atom: 495 47I-H N 8.971 ambi=1 { N:122.752 } atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } ::sumAvg: 3.17 atom: 495 47I-H N 8.971 ambi=1 { N:122.752 } atom: 108 11I-HD1 D1 0.764 ambi=1 { CD1:14.4 } ::sumAvg: 4.365 atom: 116 12I-H N 8.765 ambi=1 { N:123.056 } atom: 137 14E-H N 8.28 ambi=1 { N:114.386 } ::sumAvg: 4.44 atom: 137 14E-H N 8.28 ambi=1 { N:114.386 } atom: 116 12I-H N 8.765 ambi=1 { N:123.056 } ::sumAvg: 4.44 atom: 116 12I-H N 8.765 ambi=1 { N:123.056 } atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } ::sumAvg: 3.965 atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } ::sumAvg: 3.52 atom: 137 14E-H N 8.28 ambi=1 { N:114.386 } atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } ::sumAvg: 4.66 atom: 157 16C-H N 8.133 ambi=1 { N:115.989 } atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } ::sumAvg: 3.315 atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } atom: 122 12I-HD1 D1 0.757 ambi=1 { CD1:14.757 } ::sumAvg: 4.785 atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } ::sumAvg: 2.79 atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } atom: 141 14E-HG2 G 2.527 ambi=2 { CG:36.504 } :: atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } atom: 142 14E-HG3 G 2.327 ambi=2 { CG:36.504 } ::sumAvg: 4.42 atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } atom: 175 18I-HB B 1.414 ambi=1 { CB:42.029 } ::sumAvg: 4.76 atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } atom: 205 20R-HD2 D 3.203 ambi=2 { CD:42.308 } :: atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } atom: 206 20R-HD3 D 2.952 ambi=2 { CD:42.308 } ::sumAvg: 4.835 atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } ::sumAvg: 4.69 atom: 137 14E-H N 8.28 ambi=1 { N:114.386 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } ::sumAvg: 3.57 atom: 148 15T-H N 8.405 ambi=1 { N:115.39 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } ::sumAvg: 4.845 atom: 157 16C-H N 8.133 ambi=1 { N:115.989 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } ::sumAvg: 4.62 atom: 165 17D-H N 7.724 ambi=1 { N:119.842 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } ::sumAvg: 4.41 atom: 148 15T-H N 8.405 ambi=1 { N:115.39 } atom: 132 13A-HB B 1.56 ambi=1 { CB:18.461 } ::sumAvg: 4.495 atom: 137 14E-H N 8.28 ambi=1 { N:114.386 } atom: 165 17D-H N 7.724 ambi=1 { N:119.842 } ::sumAvg: 4.785 atom: 165 17D-H N 7.724 ambi=1 { N:119.842 } atom: 137 14E-H N 8.28 ambi=1 { N:114.386 } ::sumAvg: 4.785 atom: 148 15T-H N 8.405 ambi=1 { N:115.39 } atom: 138 14E-HA A 4.196 ambi=1 { CA:58.343 } ::sumAvg: 3.54 atom: 165 17D-H N 7.724 ambi=1 { N:119.842 } atom: 148 15T-H N 8.405 ambi=1 { N:115.39 } ::sumAvg: 3.705 atom: 148 15T-H N 8.405 ambi=1 { N:115.39 } atom: 452 43I-HG12 G1 1.746 ambi=2 { CG1:29.373 } :: atom: 148 15T-H N 8.405 ambi=1 { N:115.39 } atom: 453 43I-HG13 G1 0.777 ambi=2 { CG1:29.373 } ::sumAvg: 4.925 atom: 165 17D-H N 7.724 ambi=1 { N:119.842 } atom: 149 15T-HA A 4.075 ambi=1 { CA:66.412 } ::sumAvg: 4.155 atom: 165 17D-H N 7.724 ambi=1 { N:119.842 } atom: 151 15T-HG2 G2 1.278 ambi=1 { CG2:21.798 } ::sumAvg: 4.97 atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } atom: 151 15T-HG2 G2 1.278 ambi=1 { CG2:21.798 } ::sumAvg: 4.62 atom: 488 46A-H N 7.747 ambi=1 { N:121.475 } atom: 151 15T-HG2 G2 1.278 ambi=1 { CG2:21.798 } ::sumAvg: 4.435 atom: 157 16C-H N 8.133 ambi=1 { N:115.989 } atom: 173 18I-H N 7.419 ambi=1 { N:119.093 } ::sumAvg: 4.16 atom: 173 18I-H N 7.419 ambi=1 { N:119.093 } atom: 157 16C-H N 8.133 ambi=1 { N:115.989 } ::sumAvg: 4.16 atom: 157 16C-H N 8.133 ambi=1 { N:115.989 } atom: 176 18I-HG12 G1 1.387 ambi=2 { CG1:27.363 } :: atom: 157 16C-H N 8.133 ambi=1 { N:115.989 } atom: 177 18I-HG13 G1 1.022 ambi=2 { CG1:27.363 } ::sumAvg: 4.295 atom: 165 17D-H N 7.724 ambi=1 { N:119.842 } atom: 176 18I-HG12 G1 1.387 ambi=2 { CG1:27.363 } :: atom: 165 17D-H N 7.724 ambi=1 { N:119.842 } atom: 177 18I-HG13 G1 1.022 ambi=2 { CG1:27.363 } ::sumAvg: 4.23 atom: 173 18I-H N 7.419 ambi=1 { N:119.093 } atom: 192 19P-HD2 D 3.974 ambi=2 { CD:51.266 } :: atom: 173 18I-H N 7.419 ambi=1 { N:119.093 } atom: 193 19P-HD3 D 3.561 ambi=2 { CD:51.266 } ::sumAvg: 4.61 atom: 221 21E-H N 9.833 ambi=1 { N:117.285 } atom: 187 19P-HA A 4.357 ambi=1 { CA:63.11 } ::sumAvg: 3.855 atom: 221 21E-H N 9.833 ambi=1 { N:117.285 } atom: 188 19P-HB2 B 2.465 ambi=2 { CB:32.102 } :: atom: 221 21E-H N 9.833 ambi=1 { N:117.285 } atom: 189 19P-HB3 B 1.937 ambi=2 { CB:32.102 } ::sumAvg: 3.205 atom: 232 22T-H N 7.784 ambi=1 { N:110.084 } atom: 190 19P-HG2 G 2.165 ambi=2 { CG:27.986 } :: atom: 232 22T-H N 7.784 ambi=1 { N:110.084 } atom: 191 19P-HG3 G 1.999 ambi=2 { CG:27.986 } ::sumAvg: 4 atom: 199 20R-H N 9.176 ambi=1 { N:129.222 } atom: 205 20R-HD2 D 3.203 ambi=2 { CD:42.308 } :: atom: 199 20R-H N 9.176 ambi=1 { N:129.222 } atom: 206 20R-HD3 D 2.952 ambi=2 { CD:42.308 } ::sumAvg: 4.285 atom: 199 20R-H N 9.176 ambi=1 { N:129.222 } atom: 224 21E-QB B 2.098 ambi=2 { CB:28.191 } ::sumAvg: 4.795 atom: 199 20R-H N 9.176 ambi=1 { N:129.222 } atom: 225 21E-HG2 G 2.353 ambi=2 { CG:36.171 } :: atom: 199 20R-H N 9.176 ambi=1 { N:129.222 } atom: 226 21E-HG3 G 2.264 ambi=2 { CG:36.171 } ::sumAvg: 3.93 atom: 199 20R-H N 9.176 ambi=1 { N:129.222 } atom: 232 22T-H N 7.784 ambi=1 { N:110.084 } ::sumAvg: 4.285 atom: 232 22T-H N 7.784 ambi=1 { N:110.084 } atom: 199 20R-H N 9.176 ambi=1 { N:129.222 } ::sumAvg: 4.285 atom: 199 20R-H N 9.176 ambi=1 { N:129.222 } atom: 241 23I-H N 7.598 ambi=1 { N:122.567 } ::sumAvg: 4.995 atom: 241 23I-H N 7.598 ambi=1 { N:122.567 } atom: 199 20R-H N 9.176 ambi=1 { N:129.222 } ::sumAvg: 4.995 atom: 232 22T-H N 7.784 ambi=1 { N:110.084 } atom: 200 20R-HA A 3.853 ambi=1 { CA:58.789 } ::sumAvg: 3.96 atom: 207 20R-HE E 7.419 ambi=1 { NE:84.58 } atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } ::sumAvg: 4.88 atom: 207 20R-HE E 7.419 ambi=1 { NE:84.58 } atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } ::sumAvg: 4.67 atom: 221 21E-H N 9.833 ambi=1 { N:117.285 } atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } ::sumAvg: 4.98 atom: 241 23I-H N 7.598 ambi=1 { N:122.567 } atom: 225 21E-HG2 G 2.353 ambi=2 { CG:36.171 } :: atom: 241 23I-H N 7.598 ambi=1 { N:122.567 } atom: 226 21E-HG3 G 2.264 ambi=2 { CG:36.171 } ::sumAvg: 4.78 atom: 232 22T-H N 7.784 ambi=1 { N:110.084 } atom: 242 23I-HA A 4.003 ambi=1 { CA:62.568 } ::sumAvg: 4.935 atom: 232 22T-H N 7.784 ambi=1 { N:110.084 } atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } ::sumAvg: 4.455 atom: 241 23I-H N 7.598 ambi=1 { N:122.567 } atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } ::sumAvg: 4.34 atom: 241 23I-H N 7.598 ambi=1 { N:122.567 } atom: 258 24T-HG2 G2 1.146 ambi=1 { CG2:20.873 } ::sumAvg: 4.235 atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } ::sumAvg: 4.37 atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } atom: 257 24T-HB B 4.603 ambi=1 { CB:69.779 } ::sumAvg: 3.81 atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } atom: 269 25P-HD2 D 3.612 ambi=2 { CD:50.475 } :: atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } atom: 270 25P-HD3 D 3.478 ambi=2 { CD:50.475 } ::sumAvg: 4.83 atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } atom: 276 26E-H N 7.365 ambi=1 { N:110.769 } ::sumAvg: 4.94 atom: 276 26E-H N 7.365 ambi=1 { N:110.769 } atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } ::sumAvg: 4.94 atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } ::sumAvg: 4.86 atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } atom: 257 24T-HB B 4.603 ambi=1 { CB:69.779 } ::sumAvg: 3.735 atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } atom: 258 24T-HG2 G2 1.146 ambi=1 { CG2:20.873 } ::sumAvg: 4.625 atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } atom: 264 25P-HA A 3.756 ambi=1 { CA:64.888 } ::sumAvg: 4.42 atom: 276 26E-H N 7.365 ambi=1 { N:110.769 } atom: 267 25P-HG2 G 1.678 ambi=2 { CG:27.144 } :: atom: 276 26E-H N 7.365 ambi=1 { N:110.769 } atom: 268 25P-HG3 G 0.24 ambi=2 { CG:27.144 } ::sumAvg: 3.42 atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } atom: 269 25P-HD2 D 3.612 ambi=2 { CD:50.475 } :: atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } atom: 270 25P-HD3 D 3.478 ambi=2 { CD:50.475 } ::sumAvg: 4.815 atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } :: atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } atom: 281 26E-HG3 G 2.165 ambi=2 { CG:36.498 } ::sumAvg: 3.735 atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } ::sumAvg: 4.42 atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } ::sumAvg: 4.42 atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } ::sumAvg: 4.265 atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } ::sumAvg: 4.265 atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } ::sumAvg: 4.985 atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } ::sumAvg: 4.985 atom: 337 32D-H N 8.464 ambi=1 { N:114.188 } atom: 288 27S-HA A 4.304 ambi=1 { CA:60.898 } ::sumAvg: 4.88 atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } :: atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } ::sumAvg: 4.73 atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } :: atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } ::sumAvg: 4.71 atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } ::sumAvg: 4.495 atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } ::sumAvg: 4.495 atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } atom: 332 31D-HB2 B 2.528 ambi=2 { CB:39.974 } :: atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } atom: 333 31D-HB3 B 1.84 ambi=2 { CB:39.974 } ::sumAvg: 3.8 atom: 337 32D-H N 8.464 ambi=1 { N:114.188 } atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } ::sumAvg: 3.44 atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } ::sumAvg: 4.25 atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } ::sumAvg: 4.25 atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } ::sumAvg: 4.405 atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } ::sumAvg: 4.97 atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } ::sumAvg: 4.97 atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } ::sumAvg: 4.82 atom: 316 30I-H N 8.537 ambi=1 { N:113.255 } atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } ::sumAvg: 4.53 atom: 337 32D-H N 8.464 ambi=1 { N:114.188 } atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } ::sumAvg: 4.88 atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } :: atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } ::sumAvg: 4.18 atom: 316 30I-H N 8.537 ambi=1 { N:113.255 } atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } :: atom: 316 30I-H N 8.537 ambi=1 { N:113.255 } atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } ::sumAvg: 4.46 atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } :: atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } ::sumAvg: 4.925 atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } atom: 299 28H-HD2 D2 7.161 ambi=1 { CD2:119.236 } ::sumAvg: 4.37 atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } atom: 300 28H-HE1 E1 7.525 ambi=1 { CE1:139.442 } ::sumAvg: 4.715 atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } atom: 330 31D-H N 8.451 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.425 atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } ::sumAvg: 4.76 atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } atom: 371 35I-HD1 D1 0.774 ambi=1 { CD1:14.146 } ::sumAvg: 4.885 atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } ::sumAvg: 4.09 atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } :: atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } ::sumAvg: 2.915 atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } ::sumAvg: 4.3 atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } ::sumAvg: 4.3 atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } ::sumAvg: 4.105 atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } ::sumAvg: 4.14 atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } :: atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } ::sumAvg: 4.96 atom: 316 30I-H N 8.537 ambi=1 { N:113.255 } atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } ::sumAvg: 3.61 atom: 337 32D-H N 8.464 ambi=1 { N:114.188 } atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } ::sumAvg: 4.79 atom: 365 35I-H N 7.867 ambi=1 { N:121.082 } atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } ::sumAvg: 3.915 atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } ::sumAvg: 4.875 atom: 316 30I-H N 8.537 ambi=1 { N:113.255 } atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } ::sumAvg: 4.97 atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } atom: 316 30I-H N 8.537 ambi=1 { N:113.255 } ::sumAvg: 4.97 atom: 316 30I-H N 8.537 ambi=1 { N:113.255 } atom: 365 35I-H N 7.867 ambi=1 { N:121.082 } ::sumAvg: 4.62 atom: 365 35I-H N 7.867 ambi=1 { N:121.082 } atom: 316 30I-H N 8.537 ambi=1 { N:113.255 } ::sumAvg: 4.62 atom: 316 30I-H N 8.537 ambi=1 { N:113.255 } atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } ::sumAvg: 4.285 atom: 316 30I-H N 8.537 ambi=1 { N:113.255 } atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } :: atom: 316 30I-H N 8.537 ambi=1 { N:113.255 } atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } ::sumAvg: 2.735 atom: 316 30I-H N 8.537 ambi=1 { N:113.255 } atom: 841 75F-QD D 7.14 ambi=3 { CD1:131.554 } ::sumAvg: 3.56 atom: 379 36D-H N 8.819 ambi=1 { N:127.369 } atom: 317 30I-HA A 4.21 ambi=1 { CA:62.886 } ::sumAvg: 4.92 atom: 387 37S-H N 8.367 ambi=1 { N:114.194 } atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } :: atom: 387 37S-H N 8.367 ambi=1 { N:114.194 } atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } ::sumAvg: 4.085 atom: 365 35I-H N 7.867 ambi=1 { N:121.082 } atom: 321 30I-HG2 G2 0.894 ambi=1 { CG2:17.222 } ::sumAvg: 4.755 atom: 387 37S-H N 8.367 ambi=1 { N:114.194 } atom: 321 30I-HG2 G2 0.894 ambi=1 { CG2:17.222 } ::sumAvg: 4.415 atom: 387 37S-H N 8.367 ambi=1 { N:114.194 } atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } ::sumAvg: 3.945 atom: 337 32D-H N 8.464 ambi=1 { N:114.188 } atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } ::sumAvg: 4.25 atom: 337 32D-H N 8.464 ambi=1 { N:114.188 } atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } ::sumAvg: 3.615 atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } atom: 338 32D-HA A 5.051 ambi=1 { CA:55.997 } ::sumAvg: 4.525 atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } atom: 339 32D-HB2 B 3.095 ambi=2 { CB:42.139 } :: atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } atom: 340 32D-HB3 B 2.958 ambi=2 { CB:42.139 } ::sumAvg: 4.685 atom: 365 35I-H N 7.867 ambi=1 { N:121.082 } atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } ::sumAvg: 4.18 atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } atom: 368 35I-HG12 G1 1.084 ambi=2 { CG1:27.864 } :: atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } ::sumAvg: 4.67 atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } atom: 371 35I-HD1 D1 0.774 ambi=1 { CD1:14.146 } ::sumAvg: 4.89 atom: 365 35I-H N 7.867 ambi=1 { N:121.082 } atom: 346 33L-HA A 4.465 ambi=1 { CA:54.928 } ::sumAvg: 4.78 atom: 365 35I-H N 7.867 ambi=1 { N:121.082 } atom: 379 36D-H N 8.819 ambi=1 { N:127.369 } ::sumAvg: 4.385 atom: 379 36D-H N 8.819 ambi=1 { N:127.369 } atom: 365 35I-H N 7.867 ambi=1 { N:121.082 } ::sumAvg: 4.385 atom: 379 36D-H N 8.819 ambi=1 { N:127.369 } atom: 368 35I-HG12 G1 1.084 ambi=2 { CG1:27.864 } :: atom: 379 36D-H N 8.819 ambi=1 { N:127.369 } atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } ::sumAvg: 4.605 atom: 387 37S-H N 8.367 ambi=1 { N:114.194 } atom: 370 35I-HG2 G2 0.736 ambi=1 { CG2:18.239 } ::sumAvg: 4.92 atom: 387 37S-H N 8.367 ambi=1 { N:114.194 } atom: 379 36D-H N 8.819 ambi=1 { N:127.369 } ::sumAvg: 4.61 atom: 379 36D-H N 8.819 ambi=1 { N:127.369 } atom: 395 38L-H N 7.984 ambi=1 { N:122.81 } ::sumAvg: 4.84 atom: 395 38L-H N 7.984 ambi=1 { N:122.81 } atom: 379 36D-H N 8.819 ambi=1 { N:127.369 } ::sumAvg: 4.84 atom: 395 38L-H N 7.984 ambi=1 { N:122.81 } atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } ::sumAvg: 4.06 atom: 387 37S-H N 8.367 ambi=1 { N:114.194 } atom: 399 38L-HG G 1.693 ambi=1 { CG:27.283 } ::sumAvg: 4.22 atom: 387 37S-H N 8.367 ambi=1 { N:114.194 } atom: 400 38L-HD1 D1 0.943 ambi=2 { CD1:24.99 } :: atom: 387 37S-H N 8.367 ambi=1 { N:114.194 } atom: 401 38L-HD2 D2 0.876 ambi=2 { CD2:23.57 } ::sumAvg: 4.79 atom: 387 37S-H N 8.367 ambi=1 { N:114.194 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } ::sumAvg: 4.875 atom: 395 38L-H N 7.984 ambi=1 { N:122.81 } atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } ::sumAvg: 3.495 atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } ::sumAvg: 3.48 atom: 427 41L-H N 7.609 ambi=1 { N:118.773 } atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } ::sumAvg: 4.545 atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } ::sumAvg: 4.97 atom: 395 38L-H N 7.984 ambi=1 { N:122.81 } atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } ::sumAvg: 3.71 atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } atom: 395 38L-H N 7.984 ambi=1 { N:122.81 } ::sumAvg: 3.71 atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } atom: 396 38L-HA A 4.229 ambi=1 { CA:57.782 } ::sumAvg: 4.225 atom: 427 41L-H N 7.609 ambi=1 { N:118.773 } atom: 396 38L-HA A 4.229 ambi=1 { CA:57.782 } ::sumAvg: 3.665 atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } atom: 397 38L-HB2 B 1.855 ambi=2 { CB:41.037 } :: atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } atom: 398 38L-HB3 B 1.595 ambi=2 { CB:41.037 } ::sumAvg: 4.83 atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } atom: 410 40F-HA A 4.063 ambi=1 { CA:61.721 } ::sumAvg: 2.84 atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } ::sumAvg: 4.155 atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } atom: 429 41L-HB2 B 1.958 ambi=2 { CB:41.096 } :: atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } atom: 430 41L-HB3 B 1.559 ambi=2 { CB:41.096 } ::sumAvg: 4.795 atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } atom: 431 41L-HG G 1.862 ambi=1 { CG:26.888 } ::sumAvg: 4.33 atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } ::sumAvg: 4.425 atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } ::sumAvg: 4.425 atom: 449 43I-H N 8.081 ambi=1 { N:122.578 } atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } ::sumAvg: 4.98 atom: 427 41L-H N 7.609 ambi=1 { N:118.773 } atom: 410 40F-HA A 4.063 ambi=1 { CA:61.721 } ::sumAvg: 3.485 atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } atom: 410 40F-HA A 4.063 ambi=1 { CA:61.721 } ::sumAvg: 4.09 atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } atom: 410 40F-HA A 4.063 ambi=1 { CA:61.721 } ::sumAvg: 3.98 atom: 427 41L-H N 7.609 ambi=1 { N:118.773 } atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } ::sumAvg: 4.49 atom: 449 43I-H N 8.081 ambi=1 { N:122.578 } atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } ::sumAvg: 4.785 atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } ::sumAvg: 3.69 atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } ::sumAvg: 4.45 atom: 427 41L-H N 7.609 ambi=1 { N:118.773 } atom: 443 42D-HB2 B 2.873 ambi=2 { CB:40.204 } :: atom: 427 41L-H N 7.609 ambi=1 { N:118.773 } atom: 444 42D-HB3 B 2.622 ambi=2 { CB:40.204 } ::sumAvg: 4.85 atom: 427 41L-H N 7.609 ambi=1 { N:118.773 } atom: 449 43I-H N 8.081 ambi=1 { N:122.578 } ::sumAvg: 4.11 atom: 449 43I-H N 8.081 ambi=1 { N:122.578 } atom: 427 41L-H N 7.609 ambi=1 { N:118.773 } ::sumAvg: 4.11 atom: 427 41L-H N 7.609 ambi=1 { N:118.773 } atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } ::sumAvg: 4.74 atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } atom: 427 41L-H N 7.609 ambi=1 { N:118.773 } ::sumAvg: 4.74 atom: 427 41L-H N 7.609 ambi=1 { N:118.773 } atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } ::sumAvg: 4.72 atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } ::sumAvg: 3.54 atom: 449 43I-H N 8.081 ambi=1 { N:122.578 } atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } ::sumAvg: 4.49 atom: 470 45F-H N 8.083 ambi=1 { N:117.182 } atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } ::sumAvg: 4.255 atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } atom: 431 41L-HG G 1.862 ambi=1 { CG:26.888 } ::sumAvg: 4.49 atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } atom: 432 41L-HD1 D1 0.953 ambi=2 { CD1:25.172 } :: atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } atom: 433 41L-HD2 D2 0.894 ambi=2 { CD2:23.33 } ::sumAvg: 4.575 atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } atom: 432 41L-HD1 D1 0.953 ambi=2 { CD1:25.172 } :: atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } atom: 433 41L-HD2 D2 0.894 ambi=2 { CD2:23.33 } ::sumAvg: 4.76 atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } atom: 442 42D-HA A 4.593 ambi=1 { CA:57.654 } ::sumAvg: 2.855 atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } ::sumAvg: 4.73 atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } atom: 452 43I-HG12 G1 1.746 ambi=2 { CG1:29.373 } :: atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } atom: 453 43I-HG13 G1 0.777 ambi=2 { CG1:29.373 } ::sumAvg: 4.14 atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } ::sumAvg: 4.16 atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } ::sumAvg: 4.89 atom: 470 45F-H N 8.083 ambi=1 { N:117.182 } atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } ::sumAvg: 4.655 atom: 449 43I-H N 8.081 ambi=1 { N:122.578 } atom: 442 42D-HA A 4.593 ambi=1 { CA:57.654 } ::sumAvg: 3.53 atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } atom: 442 42D-HA A 4.593 ambi=1 { CA:57.654 } ::sumAvg: 4.515 atom: 470 45F-H N 8.083 ambi=1 { N:117.182 } atom: 442 42D-HA A 4.593 ambi=1 { CA:57.654 } ::sumAvg: 3.465 atom: 488 46A-H N 7.747 ambi=1 { N:121.475 } atom: 442 42D-HA A 4.593 ambi=1 { CA:57.654 } ::sumAvg: 4.28 atom: 449 43I-H N 8.081 ambi=1 { N:122.578 } atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } ::sumAvg: 3.83 atom: 449 43I-H N 8.081 ambi=1 { N:122.578 } atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } ::sumAvg: 4.28 atom: 449 43I-H N 8.081 ambi=1 { N:122.578 } atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } ::sumAvg: 4.84 atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } atom: 450 43I-HA A 3.534 ambi=1 { CA:65.135 } ::sumAvg: 3.53 atom: 470 45F-H N 8.083 ambi=1 { N:117.182 } atom: 450 43I-HA A 3.534 ambi=1 { CA:65.135 } ::sumAvg: 4.44 atom: 470 45F-H N 8.083 ambi=1 { N:117.182 } atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } ::sumAvg: 4.875 atom: 488 46A-H N 7.747 ambi=1 { N:121.475 } atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } ::sumAvg: 4.745 atom: 495 47I-H N 8.971 ambi=1 { N:122.752 } atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } ::sumAvg: 4.21 atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } atom: 472 45F-HB2 B 3.314 ambi=2 { CB:38.743 } :: atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } atom: 473 45F-HB3 B 3.288 ambi=2 { CB:38.743 } ::sumAvg: 4.775 atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } atom: 488 46A-H N 7.747 ambi=1 { N:121.475 } ::sumAvg: 4.15 atom: 488 46A-H N 7.747 ambi=1 { N:121.475 } atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } ::sumAvg: 4.15 atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } ::sumAvg: 4.9 atom: 470 45F-H N 8.083 ambi=1 { N:117.182 } atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } ::sumAvg: 3.51 atom: 488 46A-H N 7.747 ambi=1 { N:121.475 } atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } ::sumAvg: 4.64 atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } ::sumAvg: 4.65 atom: 470 45F-H N 8.083 ambi=1 { N:117.182 } atom: 474 45F-QD D 7.3865 ambi=3 { CD1:131.804 } ::sumAvg: 4.16 atom: 470 45F-H N 8.083 ambi=1 { N:117.182 } atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } ::sumAvg: 4.325 atom: 470 45F-H N 8.083 ambi=1 { N:117.182 } atom: 495 47I-H N 8.971 ambi=1 { N:122.752 } ::sumAvg: 3.995 atom: 470 45F-H N 8.083 ambi=1 { N:117.182 } atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } ::sumAvg: 4.925 atom: 470 45F-H N 8.083 ambi=1 { N:117.182 } atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } ::sumAvg: 4.705 atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } atom: 470 45F-H N 8.083 ambi=1 { N:117.182 } ::sumAvg: 4.705 atom: 470 45F-H N 8.083 ambi=1 { N:117.182 } atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } ::sumAvg: 4.995 atom: 470 45F-H N 8.083 ambi=1 { N:117.182 } atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } :: atom: 470 45F-H N 8.083 ambi=1 { N:117.182 } atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } ::sumAvg: 4.85 atom: 495 47I-H N 8.971 ambi=1 { N:122.752 } atom: 471 45F-HA A 4.489 ambi=1 { CA:60.619 } ::sumAvg: 4.285 atom: 517 49K-H N 7.593 ambi=1 { N:117.466 } atom: 471 45F-HA A 4.489 ambi=1 { CA:60.619 } ::sumAvg: 4.605 atom: 495 47I-H N 8.971 ambi=1 { N:122.752 } atom: 472 45F-HB2 B 3.314 ambi=2 { CB:38.743 } :: atom: 495 47I-H N 8.971 ambi=1 { N:122.752 } atom: 473 45F-HB3 B 3.288 ambi=2 { CB:38.743 } ::sumAvg: 4.97 atom: 488 46A-H N 7.747 ambi=1 { N:121.475 } atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } ::sumAvg: 4.64 atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } atom: 488 46A-H N 7.747 ambi=1 { N:121.475 } ::sumAvg: 4.12 atom: 488 46A-H N 7.747 ambi=1 { N:121.475 } atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } ::sumAvg: 4.815 atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } atom: 489 46A-HA A 4.169 ambi=1 { CA:55.042 } ::sumAvg: 4.47 atom: 534 50A-H N 8.152 ambi=1 { N:120.932 } atom: 489 46A-HA A 4.169 ambi=1 { CA:55.042 } ::sumAvg: 4.145 atom: 534 50A-H N 8.152 ambi=1 { N:120.932 } atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } ::sumAvg: 4.52 atom: 495 47I-H N 8.971 ambi=1 { N:122.752 } atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } ::sumAvg: 4.395 atom: 495 47I-H N 8.971 ambi=1 { N:122.752 } atom: 517 49K-H N 7.593 ambi=1 { N:117.466 } ::sumAvg: 4.035 atom: 495 47I-H N 8.971 ambi=1 { N:122.752 } atom: 534 50A-H N 8.152 ambi=1 { N:120.932 } ::sumAvg: 4.65 atom: 534 50A-H N 8.152 ambi=1 { N:120.932 } atom: 495 47I-H N 8.971 ambi=1 { N:122.752 } ::sumAvg: 4.65 atom: 495 47I-H N 8.971 ambi=1 { N:122.752 } atom: 536 50A-HB B 1.239 ambi=1 { CB:19.174 } ::sumAvg: 4.58 atom: 517 49K-H N 7.593 ambi=1 { N:117.466 } atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } ::sumAvg: 4.2 atom: 541 51F-H N 8.62 ambi=1 { N:111.445 } atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } ::sumAvg: 3.42 atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } :: atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } atom: 499 47I-HG13 G1 1.052 ambi=2 { CG1:30.491 } ::sumAvg: 4.455 atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } atom: 521 49K-HG2 G 1.381 ambi=2 { CG:24.56 } :: atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } atom: 522 49K-HG3 G 1.322 ambi=2 { CG:24.56 } ::sumAvg: 4.45 atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } atom: 534 50A-H N 8.152 ambi=1 { N:120.932 } ::sumAvg: 4.245 atom: 534 50A-H N 8.152 ambi=1 { N:120.932 } atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } ::sumAvg: 4.245 atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } atom: 536 50A-HB B 1.239 ambi=1 { CB:19.174 } ::sumAvg: 4.995 atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } ::sumAvg: 4.555 atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } ::sumAvg: 4.555 atom: 534 50A-H N 8.152 ambi=1 { N:120.932 } atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } ::sumAvg: 4.665 atom: 541 51F-H N 8.62 ambi=1 { N:111.445 } atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } ::sumAvg: 4.505 atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } ::sumAvg: 3.7 atom: 534 50A-H N 8.152 ambi=1 { N:120.932 } atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } ::sumAvg: 4.73 atom: 565 53I-H N 7.476 ambi=1 { N:110.687 } atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } ::sumAvg: 4.55 atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } ::sumAvg: 3.8 atom: 517 49K-H N 7.593 ambi=1 { N:117.466 } atom: 536 50A-HB B 1.239 ambi=1 { CB:19.174 } ::sumAvg: 4.18 atom: 517 49K-H N 7.593 ambi=1 { N:117.466 } atom: 541 51F-H N 8.62 ambi=1 { N:111.445 } ::sumAvg: 4.375 atom: 541 51F-H N 8.62 ambi=1 { N:111.445 } atom: 519 49K-QB B 1.7595 ambi=2 { CB:32.566 } ::sumAvg: 4.98 atom: 534 50A-H N 8.152 ambi=1 { N:120.932 } atom: 521 49K-HG2 G 1.381 ambi=2 { CG:24.56 } :: atom: 534 50A-H N 8.152 ambi=1 { N:120.932 } atom: 522 49K-HG3 G 1.322 ambi=2 { CG:24.56 } ::sumAvg: 4.33 atom: 534 50A-H N 8.152 ambi=1 { N:120.932 } atom: 543 51F-HB2 B 3.053 ambi=2 { CB:40.494 } :: atom: 534 50A-H N 8.152 ambi=1 { N:120.932 } atom: 544 51F-HB3 B 2.776 ambi=2 { CB:40.494 } ::sumAvg: 4.91 atom: 541 51F-H N 8.62 ambi=1 { N:111.445 } atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } ::sumAvg: 4.355 atom: 541 51F-H N 8.62 ambi=1 { N:111.445 } atom: 565 53I-H N 7.476 ambi=1 { N:110.687 } ::sumAvg: 3.955 atom: 565 53I-H N 7.476 ambi=1 { N:110.687 } atom: 542 51F-HA A 4.535 ambi=1 { CA:58.374 } ::sumAvg: 4.905 atom: 565 53I-H N 7.476 ambi=1 { N:110.687 } atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } ::sumAvg: 3.79 atom: 565 53I-H N 7.476 ambi=1 { N:110.687 } atom: 579 54K-H N 7.965 ambi=1 { N:119.664 } ::sumAvg: 4.44 atom: 579 54K-H N 7.965 ambi=1 { N:119.664 } atom: 565 53I-H N 7.476 ambi=1 { N:110.687 } ::sumAvg: 4.44 atom: 565 53I-H N 7.476 ambi=1 { N:110.687 } atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } ::sumAvg: 4.95 atom: 565 53I-H N 7.476 ambi=1 { N:110.687 } atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } :: atom: 565 53I-H N 7.476 ambi=1 { N:110.687 } atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } ::sumAvg: 4.785 atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } ::sumAvg: 4.575 atom: 1024 91K-H N 7.674 ambi=1 { N:119.029 } atom: 570 53I-HG2 G2 0.756 ambi=1 { CG2:18.699 } ::sumAvg: 4.26 atom: 579 54K-H N 7.965 ambi=1 { N:119.664 } atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } ::sumAvg: 2.945 atom: 579 54K-H N 7.965 ambi=1 { N:119.664 } atom: 585 54K-QD D 1.639 ambi=2 { CD:28.727 } ::sumAvg: 4.91 atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } atom: 579 54K-H N 7.965 ambi=1 { N:119.664 } ::sumAvg: 4.005 atom: 579 54K-H N 7.965 ambi=1 { N:119.664 } atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } ::sumAvg: 4.87 atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } atom: 583 54K-HG2 G 1.21 ambi=2 { CG:24.355 } :: atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } atom: 584 54K-HG3 G 1.177 ambi=2 { CG:24.355 } ::sumAvg: 3.85 atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } ::sumAvg: 4.03 atom: 622 57L-H N 7.463 ambi=1 { N:121.417 } atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } ::sumAvg: 4.98 atom: 622 57L-H N 7.463 ambi=1 { N:121.417 } atom: 598 55L-HB2 B 1.617 ambi=2 { CB:42.026 } :: atom: 622 57L-H N 7.463 ambi=1 { N:121.417 } atom: 599 55L-HB3 B 0.994 ambi=2 { CB:42.026 } ::sumAvg: 4.445 atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } atom: 601 55L-HD1 D1 0.869 ambi=2 { CD1:25.768 } :: atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } atom: 602 55L-HD2 D2 0.765 ambi=2 { CD2:24.158 } ::sumAvg: 4.605 atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } atom: 601 55L-HD1 D1 0.869 ambi=2 { CD1:25.768 } :: atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } atom: 602 55L-HD2 D2 0.765 ambi=2 { CD2:24.158 } ::sumAvg: 4.755 atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } ::sumAvg: 3.4 atom: 647 59K-H N 7.433 ambi=1 { N:122.037 } atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } ::sumAvg: 4.015 atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } atom: 611 56P-HB2 B 1.528 ambi=2 { CB:27.462 } :: atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } atom: 612 56P-HB3 B 1.879 ambi=2 { CB:27.462 } ::sumAvg: 4.765 atom: 647 59K-H N 7.433 ambi=1 { N:122.037 } atom: 613 56P-HG2 G 1.76 ambi=2 { CG:26.443 } :: atom: 647 59K-H N 7.433 ambi=1 { N:122.037 } atom: 614 56P-HG3 G 0.925 ambi=2 { CG:26.443 } ::sumAvg: 4.475 atom: 622 57L-H N 7.463 ambi=1 { N:121.417 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } ::sumAvg: 4.38 atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } ::sumAvg: 2.91 atom: 622 57L-H N 7.463 ambi=1 { N:121.417 } atom: 638 58E-QB B 1.9595 ambi=2 { CB:28.669 } ::sumAvg: 4.705 atom: 622 57L-H N 7.463 ambi=1 { N:121.417 } atom: 640 58E-QG G 2.251 ambi=2 { CG:36.552 } ::sumAvg: 3.695 atom: 622 57L-H N 7.463 ambi=1 { N:121.417 } atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } ::sumAvg: 4.705 atom: 647 59K-H N 7.433 ambi=1 { N:122.037 } atom: 623 57L-HA A 3.405 ambi=1 { CA:58.089 } ::sumAvg: 4.04 atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } atom: 623 57L-HA A 3.405 ambi=1 { CA:58.089 } ::sumAvg: 3.1 atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } atom: 623 57L-HA A 3.405 ambi=1 { CA:58.089 } ::sumAvg: 3.725 atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } atom: 626 57L-HG G 1.452 ambi=1 { CG:27.081 } ::sumAvg: 3.85 atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } :: atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } ::sumAvg: 4.495 atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } :: atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } ::sumAvg: 3.275 atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } atom: 649 59K-HB2 B 1.864 ambi=2 { CB:32.184 } :: atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } atom: 650 59K-HB3 B 1.822 ambi=2 { CB:32.184 } ::sumAvg: 4.765 atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } ::sumAvg: 4.155 atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } ::sumAvg: 4.155 atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } ::sumAvg: 4.645 atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } ::sumAvg: 3.955 atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } ::sumAvg: 4.35 atom: 647 59K-H N 7.433 ambi=1 { N:122.037 } atom: 652 59K-QG G 1.3795 ambi=2 { CG:24.776 } ::sumAvg: 3.98 atom: 647 59K-H N 7.433 ambi=1 { N:122.037 } atom: 653 59K-QD D 1.663 ambi=2 { CD:29.326 } ::sumAvg: 4.58 atom: 647 59K-H N 7.433 ambi=1 { N:122.037 } atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } :: atom: 647 59K-H N 7.433 ambi=1 { N:122.037 } atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } ::sumAvg: 4.605 atom: 647 59K-H N 7.433 ambi=1 { N:122.037 } atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } ::sumAvg: 4.44 atom: 647 59K-H N 7.433 ambi=1 { N:122.037 } atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } ::sumAvg: 4.275 atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } atom: 647 59K-H N 7.433 ambi=1 { N:122.037 } ::sumAvg: 4.275 atom: 647 59K-H N 7.433 ambi=1 { N:122.037 } atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } ::sumAvg: 4.68 atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } atom: 647 59K-H N 7.433 ambi=1 { N:122.037 } ::sumAvg: 4.68 atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } atom: 648 59K-HA A 4.093 ambi=1 { CA:58.936 } ::sumAvg: 4.835 atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } atom: 648 59K-HA A 4.093 ambi=1 { CA:58.936 } ::sumAvg: 3.635 atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } atom: 649 59K-HB2 B 1.864 ambi=2 { CB:32.184 } :: atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } atom: 650 59K-HB3 B 1.822 ambi=2 { CB:32.184 } ::sumAvg: 2.59 atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } atom: 652 59K-QG G 1.3795 ambi=2 { CG:24.776 } ::sumAvg: 3.65 atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } atom: 652 59K-QG G 1.3795 ambi=2 { CG:24.776 } ::sumAvg: 4.92 atom: 707 63E-H N 8.434 ambi=1 { N:119.114 } atom: 652 59K-QG G 1.3795 ambi=2 { CG:24.776 } ::sumAvg: 4.25 atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } atom: 653 59K-QD D 1.663 ambi=2 { CD:29.326 } ::sumAvg: 4.7 atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } atom: 653 59K-QD D 1.663 ambi=2 { CD:29.326 } ::sumAvg: 4.26 atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } atom: 655 59K-QE E 3.025 ambi=2 { CE:42.247 } ::sumAvg: 4.67 atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } atom: 655 59K-QE E 3.025 ambi=2 { CE:42.247 } ::sumAvg: 3.775 atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } ::sumAvg: 4.755 atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } ::sumAvg: 4.755 atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } ::sumAvg: 4.82 atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } ::sumAvg: 3.56 atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } ::sumAvg: 4.35 atom: 707 63E-H N 8.434 ambi=1 { N:119.114 } atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } ::sumAvg: 3.52 atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } ::sumAvg: 4.89 atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } ::sumAvg: 4.935 atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } :: atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } ::sumAvg: 4.875 atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } atom: 944 83R-HE E 7.755 ambi=1 { NE:84.936 } ::sumAvg: 4.03 atom: 944 83R-HE E 7.755 ambi=1 { NE:84.936 } atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } ::sumAvg: 4.03 atom: 944 83R-HE E 7.755 ambi=1 { NE:84.936 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } ::sumAvg: 3.32 atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } ::sumAvg: 4.01 atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } :: atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } ::sumAvg: 4.57 atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } ::sumAvg: 4.89 atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } ::sumAvg: 3.55 atom: 707 63E-H N 8.434 ambi=1 { N:119.114 } atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } ::sumAvg: 4.475 atom: 729 65N-H N 8.521 ambi=1 { N:121.693 } atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } ::sumAvg: 4.295 atom: 733 65N-HD21 D2 7.553 ambi=2 { ND2:112.154 } atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } :: atom: 734 65N-HD22 D2 6.963 ambi=2 { ND2:112.154 } atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } ::sumAvg: 4.81 atom: 733 65N-HD21 D2 7.553 ambi=2 { ND2:112.154 } atom: 686 61T-HB B 4.28 ambi=1 { CB:68.976 } :: atom: 734 65N-HD22 D2 6.963 ambi=2 { ND2:112.154 } atom: 686 61T-HB B 4.28 ambi=1 { CB:68.976 } ::sumAvg: 4.465 atom: 729 65N-H N 8.521 ambi=1 { N:121.693 } atom: 687 61T-HG2 G2 1.28 ambi=1 { CG2:21.524 } ::sumAvg: 4.125 atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } atom: 711 63E-HG2 G 2.697 ambi=2 { CG:36.961 } :: atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } atom: 712 63E-HG3 G 2.175 ambi=2 { CG:36.961 } ::sumAvg: 4.27 atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } :: atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } ::sumAvg: 4.955 atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } atom: 729 65N-H N 8.521 ambi=1 { N:121.693 } ::sumAvg: 4.68 atom: 729 65N-H N 8.521 ambi=1 { N:121.693 } atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } ::sumAvg: 4.68 atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } atom: 731 65N-HB2 B 2.924 ambi=2 { CB:38.023 } :: atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } atom: 732 65N-HB3 B 2.941 ambi=2 { CB:38.023 } ::sumAvg: 4.89 atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } atom: 734 65N-HD22 D2 6.963 ambi=2 { ND2:112.154 } ::sumAvg: 4.785 atom: 734 65N-HD22 D2 6.963 ambi=2 { ND2:112.154 } atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } ::sumAvg: 4.785 atom: 718 64V-H N 8.167 ambi=1 { N:119.573 } atom: 694 62Q-HA A 4.033 ambi=1 { CA:58.907 } ::sumAvg: 4.335 atom: 733 65N-HD21 D2 7.553 ambi=2 { ND2:112.154 } atom: 695 62Q-HB2 B 2.288 ambi=2 { CB:28.121 } :: atom: 734 65N-HD22 D2 6.963 ambi=2 { ND2:112.154 } atom: 695 62Q-HB2 B 2.288 ambi=2 { CB:28.121 } :: atom: 733 65N-HD21 D2 7.553 ambi=2 { ND2:112.154 } atom: 696 62Q-HB3 B 2.273 ambi=2 { CB:28.121 } :: atom: 734 65N-HD22 D2 6.963 ambi=2 { ND2:112.154 } atom: 696 62Q-HB3 B 2.273 ambi=2 { CB:28.121 } ::sumAvg: 4.445 atom: 740 66D-H N 8.469 ambi=1 { N:117.849 } atom: 697 62Q-HG2 G 2.509 ambi=2 { CG:33.398 } :: atom: 740 66D-H N 8.469 ambi=1 { N:117.849 } atom: 698 62Q-HG3 G 2.431 ambi=2 { CG:33.398 } ::sumAvg: 4.625 atom: 699 62Q-HE21 E2 7.909 ambi=2 { NE2:114.445 } atom: 734 65N-HD22 D2 6.963 ambi=2 { ND2:112.154 } :: atom: 700 62Q-HE22 E2 6.884 ambi=2 { NE2:114.445 } atom: 733 65N-HD21 D2 7.553 ambi=2 { ND2:112.154 } ::sumAvg: 3.97 atom: 734 65N-HD22 D2 6.963 ambi=2 { ND2:112.154 } atom: 699 62Q-HE21 E2 7.909 ambi=2 { NE2:114.445 } :: atom: 733 65N-HD21 D2 7.553 ambi=2 { ND2:112.154 } atom: 700 62Q-HE22 E2 6.884 ambi=2 { NE2:114.445 } ::sumAvg: 3.97 atom: 699 62Q-HE21 E2 7.909 ambi=2 { NE2:114.445 } atom: 742 66D-HB2 B 2.86 ambi=2 { CB:41.203 } :: atom: 699 62Q-HE21 E2 7.909 ambi=2 { NE2:114.445 } atom: 743 66D-HB3 B 2.777 ambi=2 { CB:41.203 } :: atom: 700 62Q-HE22 E2 6.884 ambi=2 { NE2:114.445 } atom: 742 66D-HB2 B 2.86 ambi=2 { CB:41.203 } :: atom: 700 62Q-HE22 E2 6.884 ambi=2 { NE2:114.445 } atom: 743 66D-HB3 B 2.777 ambi=2 { CB:41.203 } ::sumAvg: 4.81 atom: 718 64V-H N 8.167 ambi=1 { N:119.573 } atom: 771 69A-H N 7.5 ambi=1 { N:120.387 } ::sumAvg: 4.53 atom: 771 69A-H N 7.5 ambi=1 { N:120.387 } atom: 718 64V-H N 8.167 ambi=1 { N:119.573 } ::sumAvg: 4.53 atom: 718 64V-H N 8.167 ambi=1 { N:119.573 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } ::sumAvg: 4.265 atom: 740 66D-H N 8.469 ambi=1 { N:117.849 } atom: 719 64V-HA A 4.106 ambi=1 { CA:65.416 } ::sumAvg: 4.245 atom: 748 67G-H N 8.101 ambi=1 { N:108.617 } atom: 719 64V-HA A 4.106 ambi=1 { CA:65.416 } ::sumAvg: 3.47 atom: 733 65N-HD21 D2 7.553 ambi=2 { ND2:112.154 } atom: 720 64V-HB B 2.272 ambi=1 { CB:31.897 } :: atom: 734 65N-HD22 D2 6.963 ambi=2 { ND2:112.154 } atom: 720 64V-HB B 2.272 ambi=1 { CB:31.897 } ::sumAvg: 4.59 atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } :: atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } ::sumAvg: 4.78 atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } :: atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } ::sumAvg: 4.73 atom: 729 65N-H N 8.521 ambi=1 { N:121.693 } atom: 742 66D-HB2 B 2.86 ambi=2 { CB:41.203 } :: atom: 729 65N-H N 8.521 ambi=1 { N:121.693 } atom: 743 66D-HB3 B 2.777 ambi=2 { CB:41.203 } ::sumAvg: 4.955 atom: 729 65N-H N 8.521 ambi=1 { N:121.693 } atom: 748 67G-H N 8.101 ambi=1 { N:108.617 } ::sumAvg: 4.06 atom: 733 65N-HD21 D2 7.553 ambi=2 { ND2:112.154 } atom: 730 65N-HA A 4.487 ambi=1 { CA:56.263 } :: atom: 734 65N-HD22 D2 6.963 ambi=2 { ND2:112.154 } atom: 730 65N-HA A 4.487 ambi=1 { CA:56.263 } ::sumAvg: 4.035 atom: 740 66D-H N 8.469 ambi=1 { N:117.849 } atom: 756 68K-HB2 B 2.051 ambi=2 { CB:33.445 } :: atom: 740 66D-H N 8.469 ambi=1 { N:117.849 } atom: 757 68K-HB3 B 1.71 ambi=2 { CB:33.445 } ::sumAvg: 4.96 atom: 740 66D-H N 8.469 ambi=1 { N:117.849 } atom: 758 68K-HG2 G 1.502 ambi=2 { CG:25.231 } :: atom: 740 66D-H N 8.469 ambi=1 { N:117.849 } atom: 759 68K-HG3 G 1.415 ambi=2 { CG:25.231 } ::sumAvg: 4.415 atom: 754 68K-H N 8.414 ambi=1 { N:118.843 } atom: 741 66D-HA A 4.738 ambi=1 { CA:54.82 } ::sumAvg: 4.66 atom: 754 68K-H N 8.414 ambi=1 { N:118.843 } atom: 742 66D-HB2 B 2.86 ambi=2 { CB:41.203 } :: atom: 754 68K-H N 8.414 ambi=1 { N:118.843 } atom: 743 66D-HB3 B 2.777 ambi=2 { CB:41.203 } ::sumAvg: 2.96 atom: 754 68K-H N 8.414 ambi=1 { N:118.843 } atom: 749 67G-HA2 A 4.194 ambi=2 { CA:45.96 } :: atom: 754 68K-H N 8.414 ambi=1 { N:118.843 } atom: 750 67G-HA3 A 4.01 ambi=2 { CA:45.96 } ::sumAvg: 3.09 atom: 771 69A-H N 7.5 ambi=1 { N:120.387 } atom: 749 67G-HA2 A 4.194 ambi=2 { CA:45.96 } :: atom: 771 69A-H N 7.5 ambi=1 { N:120.387 } atom: 750 67G-HA3 A 4.01 ambi=2 { CA:45.96 } ::sumAvg: 3.855 atom: 754 68K-H N 8.414 ambi=1 { N:118.843 } atom: 762 68K-QE E 3.029 ambi=2 { CE:42.219 } ::sumAvg: 4.28 atom: 771 69A-H N 7.5 ambi=1 { N:120.387 } atom: 754 68K-H N 8.414 ambi=1 { N:118.843 } ::sumAvg: 2.415 atom: 771 69A-H N 7.5 ambi=1 { N:120.387 } atom: 778 70T-H N 7.974 ambi=1 { N:109.871 } ::sumAvg: 4.43 atom: 771 69A-H N 7.5 ambi=1 { N:120.387 } atom: 779 70T-HA A 4.723 ambi=1 { CA:59.724 } ::sumAvg: 4.915 atom: 778 70T-H N 7.974 ambi=1 { N:109.871 } atom: 779 70T-HA A 4.723 ambi=1 { CA:59.724 } ::sumAvg: 2.955 atom: 778 70T-H N 7.974 ambi=1 { N:109.871 } atom: 780 70T-HB B 4.696 ambi=1 { CB:70.636 } ::sumAvg: 3.33 atom: 787 71T-H N 9.012 ambi=1 { N:111.37 } atom: 778 70T-H N 7.974 ambi=1 { N:109.871 } ::sumAvg: 4.535 atom: 778 70T-H N 7.974 ambi=1 { N:109.871 } atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } ::sumAvg: 4.96 atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } atom: 778 70T-H N 7.974 ambi=1 { N:109.871 } ::sumAvg: 4.96 atom: 807 73Q-H N 7.299 ambi=1 { N:116.865 } atom: 778 70T-H N 7.974 ambi=1 { N:109.871 } ::sumAvg: 3.79 atom: 778 70T-H N 7.974 ambi=1 { N:109.871 } atom: 813 73Q-HE21 E2 6.98 ambi=2 { NE2:112.266 } :: atom: 778 70T-H N 7.974 ambi=1 { N:109.871 } atom: 814 73Q-HE22 E2 6.62 ambi=2 { NE2:112.266 } ::sumAvg: 4.125 atom: 813 73Q-HE21 E2 6.98 ambi=2 { NE2:112.266 } atom: 778 70T-H N 7.974 ambi=1 { N:109.871 } :: atom: 814 73Q-HE22 E2 6.62 ambi=2 { NE2:112.266 } atom: 778 70T-H N 7.974 ambi=1 { N:109.871 } ::sumAvg: 4.125 atom: 778 70T-H N 7.974 ambi=1 { N:109.871 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 4.935 atom: 778 70T-H N 7.974 ambi=1 { N:109.871 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } ::sumAvg: 4.45 atom: 807 73Q-H N 7.299 ambi=1 { N:116.865 } atom: 779 70T-HA A 4.723 ambi=1 { CA:59.724 } ::sumAvg: 4.785 atom: 807 73Q-H N 7.299 ambi=1 { N:116.865 } atom: 780 70T-HB B 4.696 ambi=1 { CB:70.636 } ::sumAvg: 4.04 atom: 807 73Q-H N 7.299 ambi=1 { N:116.865 } atom: 781 70T-HG2 G2 1.237 ambi=1 { CG2:21.889 } ::sumAvg: 3.355 atom: 787 71T-H N 9.012 ambi=1 { N:111.37 } atom: 798 72E-HB2 B 1.994 ambi=2 { CB:28.903 } :: atom: 787 71T-H N 9.012 ambi=1 { N:111.37 } atom: 799 72E-HB3 B 2.124 ambi=2 { CB:28.903 } ::sumAvg: 4.84 atom: 787 71T-H N 9.012 ambi=1 { N:111.37 } atom: 807 73Q-H N 7.299 ambi=1 { N:116.865 } ::sumAvg: 4.41 atom: 807 73Q-H N 7.299 ambi=1 { N:116.865 } atom: 787 71T-H N 9.012 ambi=1 { N:111.37 } ::sumAvg: 4.41 atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } ::sumAvg: 3.505 atom: 807 73Q-H N 7.299 ambi=1 { N:116.865 } atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } ::sumAvg: 4.205 atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } ::sumAvg: 3.705 atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } ::sumAvg: 3.375 atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } ::sumAvg: 4.825 atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } atom: 790 71T-HG2 G2 1.556 ambi=1 { CG2:22.712 } ::sumAvg: 4.025 atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } atom: 790 71T-HG2 G2 1.556 ambi=1 { CG2:22.712 } ::sumAvg: 4.805 atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } atom: 809 73Q-HB2 B 1.633 ambi=2 { CB:28.613 } :: atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } atom: 810 73Q-HB3 B 1.337 ambi=2 { CB:28.613 } ::sumAvg: 4.97 atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } ::sumAvg: 4.365 atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } ::sumAvg: 4.365 atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } atom: 841 75F-QD D 7.14 ambi=3 { CD1:131.554 } ::sumAvg: 4.995 atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } :: atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } ::sumAvg: 4.48 atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } atom: 797 72E-HA A 3.857 ambi=1 { CA:59.904 } ::sumAvg: 4.155 atom: 901 79N-HD21 D2 7.345 ambi=2 { ND2:113.222 } atom: 797 72E-HA A 3.857 ambi=1 { CA:59.904 } :: atom: 902 79N-HD22 D2 7.139 ambi=2 { ND2:113.222 } atom: 797 72E-HA A 3.857 ambi=1 { CA:59.904 } ::sumAvg: 4.515 atom: 901 79N-HD21 D2 7.345 ambi=2 { ND2:113.222 } atom: 798 72E-HB2 B 1.994 ambi=2 { CB:28.903 } :: atom: 902 79N-HD22 D2 7.139 ambi=2 { ND2:113.222 } atom: 798 72E-HB2 B 1.994 ambi=2 { CB:28.903 } :: atom: 901 79N-HD21 D2 7.345 ambi=2 { ND2:113.222 } atom: 799 72E-HB3 B 2.124 ambi=2 { CB:28.903 } :: atom: 902 79N-HD22 D2 7.139 ambi=2 { ND2:113.222 } atom: 799 72E-HB3 B 2.124 ambi=2 { CB:28.903 } ::sumAvg: 4.885 atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } atom: 800 72E-HG2 G 2.294 ambi=2 { CG:36.535 } :: atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } atom: 801 72E-HG3 G 2.357 ambi=2 { CG:36.535 } ::sumAvg: 4.815 atom: 901 79N-HD21 D2 7.345 ambi=2 { ND2:113.222 } atom: 800 72E-HG2 G 2.294 ambi=2 { CG:36.535 } :: atom: 902 79N-HD22 D2 7.139 ambi=2 { ND2:113.222 } atom: 800 72E-HG2 G 2.294 ambi=2 { CG:36.535 } :: atom: 901 79N-HD21 D2 7.345 ambi=2 { ND2:113.222 } atom: 801 72E-HG3 G 2.357 ambi=2 { CG:36.535 } :: atom: 902 79N-HD22 D2 7.139 ambi=2 { ND2:113.222 } atom: 801 72E-HG3 G 2.357 ambi=2 { CG:36.535 } ::sumAvg: 2.995 atom: 807 73Q-H N 7.299 ambi=1 { N:116.865 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 4.625 atom: 807 73Q-H N 7.299 ambi=1 { N:116.865 } atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } ::sumAvg: 4.52 atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } atom: 807 73Q-H N 7.299 ambi=1 { N:116.865 } ::sumAvg: 4.52 atom: 813 73Q-HE21 E2 6.98 ambi=2 { NE2:112.266 } atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } :: atom: 814 73Q-HE22 E2 6.62 ambi=2 { NE2:112.266 } atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } ::sumAvg: 4.675 atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } ::sumAvg: 3.485 atom: 901 79N-HD21 D2 7.345 ambi=2 { ND2:113.222 } atom: 809 73Q-HB2 B 1.633 ambi=2 { CB:28.613 } :: atom: 902 79N-HD22 D2 7.139 ambi=2 { ND2:113.222 } atom: 809 73Q-HB2 B 1.633 ambi=2 { CB:28.613 } :: atom: 901 79N-HD21 D2 7.345 ambi=2 { ND2:113.222 } atom: 810 73Q-HB3 B 1.337 ambi=2 { CB:28.613 } :: atom: 902 79N-HD22 D2 7.139 ambi=2 { ND2:113.222 } atom: 810 73Q-HB3 B 1.337 ambi=2 { CB:28.613 } ::sumAvg: 4.925 atom: 901 79N-HD21 D2 7.345 ambi=2 { ND2:113.222 } atom: 811 73Q-HG2 G 1.828 ambi=2 { CG:33.203 } :: atom: 902 79N-HD22 D2 7.139 ambi=2 { ND2:113.222 } atom: 811 73Q-HG2 G 1.828 ambi=2 { CG:33.203 } :: atom: 901 79N-HD21 D2 7.345 ambi=2 { ND2:113.222 } atom: 812 73Q-HG3 G 1.317 ambi=2 { CG:33.203 } :: atom: 902 79N-HD22 D2 7.139 ambi=2 { ND2:113.222 } atom: 812 73Q-HG3 G 1.317 ambi=2 { CG:33.203 } ::sumAvg: 4.825 atom: 813 73Q-HE21 E2 6.98 ambi=2 { NE2:112.266 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } :: atom: 814 73Q-HE22 E2 6.62 ambi=2 { NE2:112.266 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 4.485 atom: 813 73Q-HE21 E2 6.98 ambi=2 { NE2:112.266 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } :: atom: 814 73Q-HE22 E2 6.62 ambi=2 { NE2:112.266 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } ::sumAvg: 3.71 atom: 813 73Q-HE21 E2 6.98 ambi=2 { NE2:112.266 } atom: 942 83R-HD2 D 2.997 ambi=2 { CD:43.445 } :: atom: 813 73Q-HE21 E2 6.98 ambi=2 { NE2:112.266 } atom: 943 83R-HD3 D 3.159 ambi=2 { CD:43.445 } :: atom: 814 73Q-HE22 E2 6.62 ambi=2 { NE2:112.266 } atom: 942 83R-HD2 D 2.997 ambi=2 { CD:43.445 } :: atom: 814 73Q-HE22 E2 6.62 ambi=2 { NE2:112.266 } atom: 943 83R-HD3 D 3.159 ambi=2 { CD:43.445 } ::sumAvg: 4.425 atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } ::sumAvg: 4.965 atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } :: atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } ::sumAvg: 4.37 atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } atom: 841 75F-QD D 7.14 ambi=3 { CD1:131.554 } ::sumAvg: 3.495 atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } :: atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } ::sumAvg: 4.79 atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } :: atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } ::sumAvg: 4.61 atom: 901 79N-HD21 D2 7.345 ambi=2 { ND2:113.222 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } :: atom: 902 79N-HD22 D2 7.139 ambi=2 { ND2:113.222 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } ::sumAvg: 4.525 atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } ::sumAvg: 4.785 atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 4.355 atom: 944 83R-HE E 7.755 ambi=1 { NE:84.936 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 3.41 atom: 944 83R-HE E 7.755 ambi=1 { NE:84.936 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } ::sumAvg: 2.76 atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } ::sumAvg: 4.64 atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } :: atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } ::sumAvg: 4.525 atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } ::sumAvg: 4.995 atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } :: atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } ::sumAvg: 3.185 atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } ::sumAvg: 4.63 atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } ::sumAvg: 4.63 atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } ::sumAvg: 4.38 atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } ::sumAvg: 4.38 atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } atom: 910 80L-HB2 B 1.96 ambi=2 { CB:40.812 } :: atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } atom: 911 80L-HB3 B 1.585 ambi=2 { CB:40.812 } ::sumAvg: 4.5 atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } ::sumAvg: 4.505 atom: 897 79N-H N 7.333 ambi=1 { N:121.445 } atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } ::sumAvg: 4.77 atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } atom: 857 76V-HB B 2.183 ambi=1 { CB:31.091 } ::sumAvg: 4.44 atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } atom: 857 76V-HB B 2.183 ambi=1 { CB:31.091 } ::sumAvg: 4.14 atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } ::sumAvg: 2.805 atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } atom: 884 78K-HG2 G 1.209 ambi=2 { CG:23.638 } :: atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } atom: 885 78K-HG3 G 1.104 ambi=2 { CG:23.638 } ::sumAvg: 4.195 atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } atom: 897 79N-H N 7.333 ambi=1 { N:121.445 } ::sumAvg: 4.2 atom: 897 79N-H N 7.333 ambi=1 { N:121.445 } atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } ::sumAvg: 4.2 atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } ::sumAvg: 4.755 atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } ::sumAvg: 4.755 atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } ::sumAvg: 4.33 atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } atom: 888 78K-HE2 E 2.756 ambi=2 { CE:42.067 } :: atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } atom: 889 78K-HE3 E 2.805 ambi=2 { CE:42.067 } ::sumAvg: 4.685 atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } :: atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } ::sumAvg: 4.875 atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } ::sumAvg: 4.35 atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } ::sumAvg: 4.35 atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } atom: 922 81A-H N 8.579 ambi=1 { N:118.122 } ::sumAvg: 4.635 atom: 922 81A-H N 8.579 ambi=1 { N:118.122 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } ::sumAvg: 4.635 atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } ::sumAvg: 4.855 atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } atom: 884 78K-HG2 G 1.209 ambi=2 { CG:23.638 } :: atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } atom: 885 78K-HG3 G 1.104 ambi=2 { CG:23.638 } ::sumAvg: 4.925 atom: 922 81A-H N 8.579 ambi=1 { N:118.122 } atom: 897 79N-H N 7.333 ambi=1 { N:121.445 } ::sumAvg: 3.88 atom: 901 79N-HD21 D2 7.345 ambi=2 { ND2:113.222 } atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } :: atom: 902 79N-HD22 D2 7.139 ambi=2 { ND2:113.222 } atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } ::sumAvg: 4.29 atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } ::sumAvg: 3.535 atom: 922 81A-H N 8.579 ambi=1 { N:118.122 } atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } ::sumAvg: 4.39 atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } ::sumAvg: 4.175 atom: 922 81A-H N 8.579 ambi=1 { N:118.122 } atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } :: atom: 922 81A-H N 8.579 ambi=1 { N:118.122 } atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } ::sumAvg: 4.935 atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } :: atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } ::sumAvg: 4.99 atom: 901 79N-HD21 D2 7.345 ambi=2 { ND2:113.222 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } :: atom: 902 79N-HD22 D2 7.139 ambi=2 { ND2:113.222 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } ::sumAvg: 4.9 atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } ::sumAvg: 4.48 atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } atom: 929 82A-H N 7.23 ambi=1 { N:119.69 } ::sumAvg: 4.03 atom: 929 82A-H N 7.23 ambi=1 { N:119.69 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } ::sumAvg: 4.03 atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } :: atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } ::sumAvg: 4.58 atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } atom: 909 80L-HA A 4.025 ambi=1 { CA:58.699 } ::sumAvg: 4.17 atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } ::sumAvg: 4.82 atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } :: atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } ::sumAvg: 4.785 atom: 922 81A-H N 8.579 ambi=1 { N:118.122 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } ::sumAvg: 4.24 atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } atom: 923 81A-HA A 3.863 ambi=1 { CA:55.256 } ::sumAvg: 4.56 atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } ::sumAvg: 4.68 atom: 929 82A-H N 7.23 ambi=1 { N:119.69 } atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } :: atom: 929 82A-H N 7.23 ambi=1 { N:119.69 } atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } ::sumAvg: 4.67 atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } atom: 929 82A-H N 7.23 ambi=1 { N:119.69 } ::sumAvg: 3.97 atom: 966 85D-H N 8.336 ambi=1 { N:120.167 } atom: 929 82A-H N 7.23 ambi=1 { N:119.69 } ::sumAvg: 4.525 atom: 929 82A-H N 7.23 ambi=1 { N:119.69 } atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } :: atom: 929 82A-H N 7.23 ambi=1 { N:119.69 } atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } ::sumAvg: 4.94 atom: 974 86E-H N 8.06 ambi=1 { N:121.15 } atom: 930 82A-HA A 4.194 ambi=1 { CA:55.364 } ::sumAvg: 4.235 atom: 966 85D-H N 8.336 ambi=1 { N:120.167 } atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } ::sumAvg: 4.68 atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } atom: 942 83R-HD2 D 2.997 ambi=2 { CD:43.445 } :: atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } atom: 943 83R-HD3 D 3.159 ambi=2 { CD:43.445 } ::sumAvg: 3.36 atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } atom: 954 84I-HB B 1.726 ambi=1 { CB:37.687 } ::sumAvg: 4.82 atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } atom: 955 84I-HG12 G1 1.78 ambi=2 { CG1:29.885 } :: atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } ::sumAvg: 4.465 atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } :: atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } ::sumAvg: 4.93 atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } atom: 974 86E-H N 8.06 ambi=1 { N:121.15 } ::sumAvg: 4.61 atom: 974 86E-H N 8.06 ambi=1 { N:121.15 } atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } ::sumAvg: 4.61 atom: 966 85D-H N 8.336 ambi=1 { N:120.167 } atom: 937 83R-HA A 4.32 ambi=1 { CA:58.496 } ::sumAvg: 4.71 atom: 985 87L-H N 8.093 ambi=1 { N:122.686 } atom: 937 83R-HA A 4.32 ambi=1 { CA:58.496 } ::sumAvg: 4.475 atom: 944 83R-HE E 7.755 ambi=1 { NE:84.936 } atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } :: atom: 944 83R-HE E 7.755 ambi=1 { NE:84.936 } atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } ::sumAvg: 2.78 atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } :: atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } ::sumAvg: 4.35 atom: 944 83R-HE E 7.755 ambi=1 { NE:84.936 } atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } :: atom: 944 83R-HE E 7.755 ambi=1 { NE:84.936 } atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } ::sumAvg: 4.98 atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } :: atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } ::sumAvg: 4.625 atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } ::sumAvg: 4.64 atom: 974 86E-H N 8.06 ambi=1 { N:121.15 } atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } ::sumAvg: 4.16 atom: 985 87L-H N 8.093 ambi=1 { N:122.686 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } ::sumAvg: 4.53 atom: 966 85D-H N 8.336 ambi=1 { N:120.167 } atom: 999 88V-H N 9.041 ambi=1 { N:122.841 } ::sumAvg: 4.785 atom: 999 88V-H N 9.041 ambi=1 { N:122.841 } atom: 966 85D-H N 8.336 ambi=1 { N:120.167 } ::sumAvg: 4.785 atom: 966 85D-H N 8.336 ambi=1 { N:120.167 } atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } :: atom: 966 85D-H N 8.336 ambi=1 { N:120.167 } atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } ::sumAvg: 4.055 atom: 974 86E-H N 8.06 ambi=1 { N:121.15 } atom: 987 87L-HB2 B 1.392 ambi=2 { CB:42.047 } :: atom: 974 86E-H N 8.06 ambi=1 { N:121.15 } atom: 988 87L-HB3 B 2.144 ambi=2 { CB:42.047 } ::sumAvg: 4.885 atom: 974 86E-H N 8.06 ambi=1 { N:121.15 } atom: 999 88V-H N 9.041 ambi=1 { N:122.841 } ::sumAvg: 4.245 atom: 974 86E-H N 8.06 ambi=1 { N:121.15 } atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } :: atom: 974 86E-H N 8.06 ambi=1 { N:121.15 } atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } ::sumAvg: 4.27 atom: 999 88V-H N 9.041 ambi=1 { N:122.841 } atom: 975 86E-HA A 4.113 ambi=1 { CA:59.162 } ::sumAvg: 4.625 atom: 1010 89A-H N 8.179 ambi=1 { N:122.98 } atom: 975 86E-HA A 4.113 ambi=1 { CA:59.162 } ::sumAvg: 3.645 atom: 1017 90A-H N 7.858 ambi=1 { N:120.178 } atom: 975 86E-HA A 4.113 ambi=1 { CA:59.162 } ::sumAvg: 4.325 atom: 1010 89A-H N 8.179 ambi=1 { N:122.98 } atom: 987 87L-HB2 B 1.392 ambi=2 { CB:42.047 } :: atom: 1010 89A-H N 8.179 ambi=1 { N:122.98 } atom: 988 87L-HB3 B 2.144 ambi=2 { CB:42.047 } ::sumAvg: 4.935 atom: 999 88V-H N 9.041 ambi=1 { N:122.841 } atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } ::sumAvg: 4.425 atom: 999 88V-H N 9.041 ambi=1 { N:122.841 } atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } :: atom: 999 88V-H N 9.041 ambi=1 { N:122.841 } atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } ::sumAvg: 4.6 atom: 1017 90A-H N 7.858 ambi=1 { N:120.178 } atom: 999 88V-H N 9.041 ambi=1 { N:122.841 } ::sumAvg: 4.025 atom: 1017 90A-H N 7.858 ambi=1 { N:120.178 } atom: 1000 88V-HA A 3.537 ambi=1 { CA:66.861 } ::sumAvg: 4.325 atom: 1041 92G-H N 8.1 ambi=1 { N:107.175 } atom: 1000 88V-HA A 3.537 ambi=1 { CA:66.861 } ::sumAvg: 4.48 atom: 1017 90A-H N 7.858 ambi=1 { N:120.178 } atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } :: atom: 1017 90A-H N 7.858 ambi=1 { N:120.178 } atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } ::sumAvg: 4.505 atom: 1024 91K-H N 7.674 ambi=1 { N:119.029 } atom: 1010 89A-H N 8.179 ambi=1 { N:122.98 } ::sumAvg: 4.42 atom: 1047 93A-H N 7.906 ambi=1 { N:123.235 } atom: 1011 89A-HA A 4.216 ambi=1 { CA:54.68 } ::sumAvg: 4.485 atom: 1047 93A-H N 7.906 ambi=1 { N:123.235 } atom: 1012 89A-HB B 1.543 ambi=1 { CB:17.836 } ::sumAvg: 4.65 atom: 1017 90A-H N 7.858 ambi=1 { N:120.178 } atom: 1049 93A-HB B 1.463 ambi=1 { CB:18.84 } ::sumAvg: 4.545 atom: 1024 91K-H N 7.674 ambi=1 { N:119.029 } atom: 1018 90A-HA A 4.261 ambi=1 { CA:53.986 } ::sumAvg: 3.595 atom: 1041 92G-H N 8.1 ambi=1 { N:107.175 } atom: 1018 90A-HA A 4.261 ambi=1 { CA:53.986 } ::sumAvg: 4.45 atom: 1047 93A-H N 7.906 ambi=1 { N:123.235 } atom: 1019 90A-HB B 1.558 ambi=1 { CB:18.443 } ::sumAvg: 4.49 atom: 1024 91K-H N 7.674 ambi=1 { N:119.029 } atom: 1032 91K-QE E 3.108 ambi=2 { CE:42.288 } ::sumAvg: 4.5 atom: 1024 91K-H N 7.674 ambi=1 { N:119.029 } atom: 1049 93A-HB B 1.463 ambi=1 { CB:18.84 } ::sumAvg: 4.715 atom: 1047 93A-H N 7.906 ambi=1 { N:123.235 } atom: 1025 91K-HA A 4.181 ambi=1 { CA:58.582 } ::sumAvg: 4.125 atom: 1054 94L-H N 7.944 ambi=1 { N:119.814 } atom: 1025 91K-HA A 4.181 ambi=1 { CA:58.582 } ::sumAvg: 3.555 atom: 1041 92G-H N 8.1 ambi=1 { N:107.175 } atom: 1032 91K-QE E 3.108 ambi=2 { CE:42.288 } ::sumAvg: 4.355 atom: 1041 92G-H N 8.1 ambi=1 { N:107.175 } atom: 1049 93A-HB B 1.463 ambi=1 { CB:18.84 } ::sumAvg: 4.275 atom: 1054 94L-H N 7.944 ambi=1 { N:119.814 } atom: 1042 92G-HA2 A 4.005 ambi=2 { CA:46.033 } :: atom: 1054 94L-H N 7.944 ambi=1 { N:119.814 } atom: 1043 92G-HA3 A 3.969 ambi=2 { CA:46.033 } ::sumAvg: 4.425 atom: 1068 95E-H N 8.095 ambi=1 { N:119.925 } atom: 1042 92G-HA2 A 4.005 ambi=2 { CA:46.033 } :: atom: 1068 95E-H N 8.095 ambi=1 { N:119.925 } atom: 1043 92G-HA3 A 3.969 ambi=2 { CA:46.033 } ::sumAvg: 3.53 atom: 1068 95E-H N 8.095 ambi=1 { N:119.925 } atom: 1048 93A-HA A 4.298 ambi=1 { CA:53.259 } ::sumAvg: 4.245 atom: 1054 94L-H N 7.944 ambi=1 { N:119.814 } atom: 1070 95E-HB2 B 1.935 ambi=2 { CB:30.127 } ::sumAvg: 4.87 atom: 1068 95E-H N 8.095 ambi=1 { N:119.925 } atom: 1069 95E-HA A 4.176 ambi=1 { CA:56.852 } ::sumAvg: 2.58 # Missing interactons for c_aro.peaks atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } ::sumAvg: 4.465 atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } atom: 37 5F-HB2 B 3.171 ambi=2 { CB:38.669 } :: atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } atom: 38 5F-HB3 B 2.907 ambi=2 { CB:38.669 } ::sumAvg: 4.435 atom: 546 51F-QD D 7.5955 ambi=3 { CD1:132.829 } atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } ::sumAvg: 3.75 atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } ::sumAvg: 3.72 atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } atom: 35 5F-H N 9.106 ambi=1 { N:121.11 } ::sumAvg: 4.26 atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } atom: 54 6D-HB2 B 2.851 ambi=2 { CB:40.855 } :: atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } ::sumAvg: 4.52 atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } :: atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } ::sumAvg: 3.945 atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } atom: 267 25P-HG2 G 1.678 ambi=2 { CG:27.144 } :: atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } atom: 268 25P-HG3 G 0.24 ambi=2 { CG:27.144 } ::sumAvg: 4.47 atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } atom: 269 25P-HD2 D 3.612 ambi=2 { CD:50.475 } :: atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } atom: 270 25P-HD3 D 3.478 ambi=2 { CD:50.475 } ::sumAvg: 4.47 atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } atom: 867 77L-HA A 4.036 ambi=1 { CA:59.047 } ::sumAvg: 4.645 atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } atom: 868 77L-HB2 B 1.607 ambi=2 { CB:40.901 } :: atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } atom: 869 77L-HB3 B 2.547 ambi=2 { CB:40.901 } ::sumAvg: 3.175 atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } ::sumAvg: 4.435 atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } atom: 882 78K-HB2 B 1.835 ambi=2 { CB:31.138 } :: atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } atom: 883 78K-HB3 B 1.603 ambi=2 { CB:31.138 } ::sumAvg: 4.72 atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } atom: 922 81A-H N 8.579 ambi=1 { N:118.122 } ::sumAvg: 4.47 atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } ::sumAvg: 4.575 atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } atom: 122 12I-HD1 D1 0.757 ambi=1 { CD1:14.757 } ::sumAvg: 4.84 atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } ::sumAvg: 4.81 atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } atom: 267 25P-HG2 G 1.678 ambi=2 { CG:27.144 } :: atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } atom: 268 25P-HG3 G 0.24 ambi=2 { CG:27.144 } ::sumAvg: 3.76 atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } atom: 269 25P-HD2 D 3.612 ambi=2 { CD:50.475 } :: atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } atom: 270 25P-HD3 D 3.478 ambi=2 { CD:50.475 } ::sumAvg: 3.055 atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } ::sumAvg: 4.85 atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } atom: 867 77L-HA A 4.036 ambi=1 { CA:59.047 } ::sumAvg: 4.375 atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } ::sumAvg: 4.265 atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } ::sumAvg: 4.18 atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } ::sumAvg: 4.47 atom: 43 5F-HZ Z 6.872 ambi=1 { CZ:128.681 } atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } ::sumAvg: 3.445 atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } ::sumAvg: 4.77 atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } ::sumAvg: 4.53 atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } atom: 60 7R-HA A 4.051 ambi=1 { CA:59.316 } ::sumAvg: 4.5 atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } ::sumAvg: 2.685 atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } ::sumAvg: 3.15 atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } ::sumAvg: 3.215 atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } atom: 77 8V-HB B 2.093 ambi=1 { CB:31.572 } ::sumAvg: 4.275 atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } :: atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } atom: 106 11I-HG13 G1 1.087 ambi=2 { CG1:29.844 } ::sumAvg: 3.335 atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } :: atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } atom: 106 11I-HG13 G1 1.087 ambi=2 { CG1:29.844 } ::sumAvg: 4.4 atom: 546 51F-QD D 7.5955 ambi=3 { CD1:132.829 } atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } ::sumAvg: 4.74 atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } atom: 108 11I-HD1 D1 0.764 ambi=1 { CD1:14.4 } ::sumAvg: 4.5 atom: 299 28H-HD2 D2 7.161 ambi=1 { CD2:119.236 } atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } ::sumAvg: 3.85 atom: 300 28H-HE1 E1 7.525 ambi=1 { CE1:139.442 } atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } :: atom: 300 28H-HE1 E1 7.525 ambi=1 { CE1:139.442 } atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } ::sumAvg: 4.805 atom: 299 28H-HD2 D2 7.161 ambi=1 { CD2:119.236 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } ::sumAvg: 4.925 atom: 299 28H-HD2 D2 7.161 ambi=1 { CD2:119.236 } atom: 332 31D-HB2 B 2.528 ambi=2 { CB:39.974 } :: atom: 299 28H-HD2 D2 7.161 ambi=1 { CD2:119.236 } atom: 333 31D-HB3 B 1.84 ambi=2 { CB:39.974 } ::sumAvg: 4.455 atom: 299 28H-HD2 D2 7.161 ambi=1 { CD2:119.236 } atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } ::sumAvg: 4.795 atom: 299 28H-HD2 D2 7.161 ambi=1 { CD2:119.236 } atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } ::sumAvg: 4.37 atom: 300 28H-HE1 E1 7.525 ambi=1 { CE1:139.442 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } ::sumAvg: 4.715 atom: 300 28H-HE1 E1 7.525 ambi=1 { CE1:139.442 } atom: 330 31D-H N 8.451 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.15 atom: 841 75F-QD D 7.14 ambi=3 { CD1:131.554 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } ::sumAvg: 4.54 atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } ::sumAvg: 4.24 atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } ::sumAvg: 2.955 atom: 845 75F-HZ Z 7.018 ambi=1 { CZ:129.158 } atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } ::sumAvg: 3.47 atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } ::sumAvg: 4.73 atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 387 37S-H N 8.367 ambi=1 { N:114.194 } ::sumAvg: 4.875 atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } ::sumAvg: 3.17 atom: 845 75F-HZ Z 7.018 ambi=1 { CZ:129.158 } atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } ::sumAvg: 4.08 atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } ::sumAvg: 4.3 atom: 845 75F-HZ Z 7.018 ambi=1 { CZ:129.158 } atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } ::sumAvg: 4.07 atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } :: atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } ::sumAvg: 4.43 atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } :: atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } ::sumAvg: 2.975 atom: 845 75F-HZ Z 7.018 ambi=1 { CZ:129.158 } atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } :: atom: 845 75F-HZ Z 7.018 ambi=1 { CZ:129.158 } atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } ::sumAvg: 4.825 atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } atom: 427 41L-H N 7.609 ambi=1 { N:118.773 } ::sumAvg: 4.49 atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } ::sumAvg: 4.11 atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } ::sumAvg: 3.47 atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } ::sumAvg: 3.8 atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } ::sumAvg: 4.795 atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } ::sumAvg: 2.745 atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } atom: 626 57L-HG G 1.452 ambi=1 { CG:27.081 } ::sumAvg: 4.2 atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } ::sumAvg: 3.98 atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } ::sumAvg: 3.275 atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } ::sumAvg: 4.45 atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } ::sumAvg: 4.18 atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } ::sumAvg: 3.035 atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } :: atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } atom: 625 57L-HB3 B 1.328 ambi=2 { CB:42.124 } ::sumAvg: 4.25 atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } ::sumAvg: 3.815 atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } ::sumAvg: 3.815 atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } ::sumAvg: 3.84 atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } :: atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } ::sumAvg: 4.68 atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } ::sumAvg: 4.86 atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } ::sumAvg: 4.675 atom: 417 40F-HZ Z 7.006 ambi=1 { CZ:128.33 } atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } ::sumAvg: 4.87 atom: 417 40F-HZ Z 7.006 ambi=1 { CZ:128.33 } atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } ::sumAvg: 3.6 atom: 417 40F-HZ Z 7.006 ambi=1 { CZ:128.33 } atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } ::sumAvg: 4.935 atom: 417 40F-HZ Z 7.006 ambi=1 { CZ:128.33 } atom: 501 47I-HD1 D1 0.847 ambi=1 { CD1:14.823 } ::sumAvg: 3.735 atom: 417 40F-HZ Z 7.006 ambi=1 { CZ:128.33 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } ::sumAvg: 4.31 atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 417 40F-HZ Z 7.006 ambi=1 { CZ:128.33 } ::sumAvg: 4.31 atom: 417 40F-HZ Z 7.006 ambi=1 { CZ:128.33 } atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } ::sumAvg: 4.15 atom: 417 40F-HZ Z 7.006 ambi=1 { CZ:128.33 } atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } ::sumAvg: 4.015 atom: 417 40F-HZ Z 7.006 ambi=1 { CZ:128.33 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } ::sumAvg: 4.215 atom: 474 45F-QD D 7.3865 ambi=3 { CD1:131.804 } atom: 442 42D-HA A 4.593 ambi=1 { CA:57.654 } ::sumAvg: 4.045 atom: 476 45F-QE E 7.37 ambi=3 { CE1:131.127 } atom: 471 45F-HA A 4.489 ambi=1 { CA:60.619 } ::sumAvg: 4.565 atom: 476 45F-QE E 7.37 ambi=3 { CE1:131.127 } atom: 472 45F-HB2 B 3.314 ambi=2 { CB:38.743 } :: atom: 476 45F-QE E 7.37 ambi=3 { CE1:131.127 } atom: 473 45F-HB3 B 3.288 ambi=2 { CB:38.743 } ::sumAvg: 4.42 atom: 476 45F-QE E 7.37 ambi=3 { CE1:131.127 } atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } ::sumAvg: 4.675 atom: 476 45F-QE E 7.37 ambi=3 { CE1:131.127 } atom: 521 49K-HG2 G 1.381 ambi=2 { CG:24.56 } :: atom: 476 45F-QE E 7.37 ambi=3 { CE1:131.127 } atom: 522 49K-HG3 G 1.322 ambi=2 { CG:24.56 } ::sumAvg: 4.44 atom: 476 45F-QE E 7.37 ambi=3 { CE1:131.127 } atom: 524 49K-QD D 1.5895 ambi=2 { CD:29.015 } ::sumAvg: 3.37 atom: 476 45F-QE E 7.37 ambi=3 { CE1:131.127 } atom: 525 49K-HE2 E 2.894 ambi=2 { CE:42.055 } :: atom: 476 45F-QE E 7.37 ambi=3 { CE1:131.127 } atom: 526 49K-HE3 E 2.805 ambi=2 { CE:42.055 } ::sumAvg: 3.745 atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } :: atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } atom: 499 47I-HG13 G1 1.052 ambi=2 { CG1:30.491 } ::sumAvg: 4.43 atom: 546 51F-QD D 7.5955 ambi=3 { CD1:132.829 } atom: 501 47I-HD1 D1 0.847 ambi=1 { CD1:14.823 } ::sumAvg: 4.665 atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 501 47I-HD1 D1 0.847 ambi=1 { CD1:14.823 } ::sumAvg: 4.845 atom: 546 51F-QD D 7.5955 ambi=3 { CD1:132.829 } atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } ::sumAvg: 4.95 atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } atom: 536 50A-HB B 1.239 ambi=1 { CB:19.174 } ::sumAvg: 4.745 atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } atom: 541 51F-H N 8.62 ambi=1 { N:111.445 } ::sumAvg: 4.355 atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } atom: 542 51F-HA A 4.535 ambi=1 { CA:58.374 } ::sumAvg: 4.755 atom: 546 51F-QD D 7.5955 ambi=3 { CD1:132.829 } atom: 1001 88V-HB B 2.282 ambi=1 { CB:32.103 } ::sumAvg: 4.095 atom: 546 51F-QD D 7.5955 ambi=3 { CD1:132.829 } atom: 1032 91K-QE E 3.108 ambi=2 { CE:42.288 } ::sumAvg: 4.92 atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } atom: 954 84I-HB B 1.726 ambi=1 { CB:37.687 } ::sumAvg: 4.85 atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } ::sumAvg: 3.36 atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } ::sumAvg: 4.06 atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } ::sumAvg: 3.955 atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } ::sumAvg: 4.865 atom: 670 60W-HE3 E3 6.741 ambi=1 { CE3:119.675 } atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } ::sumAvg: 4.66 atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } ::sumAvg: 3.595 atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } ::sumAvg: 3.615 atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } ::sumAvg: 2.895 atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } atom: 611 56P-HB2 B 1.528 ambi=2 { CB:27.462 } :: atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } atom: 612 56P-HB3 B 1.879 ambi=2 { CB:27.462 } ::sumAvg: 4.45 atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } ::sumAvg: 4.555 atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } ::sumAvg: 3.08 atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } ::sumAvg: 4.6 atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } atom: 623 57L-HA A 3.405 ambi=1 { CA:58.089 } ::sumAvg: 4.67 atom: 670 60W-HE3 E3 6.741 ambi=1 { CE3:119.675 } atom: 623 57L-HA A 3.405 ambi=1 { CA:58.089 } ::sumAvg: 3.785 atom: 670 60W-HE3 E3 6.741 ambi=1 { CE3:119.675 } atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } :: atom: 670 60W-HE3 E3 6.741 ambi=1 { CE3:119.675 } atom: 625 57L-HB3 B 1.328 ambi=2 { CB:42.124 } ::sumAvg: 4.93 atom: 845 75F-HZ Z 7.018 ambi=1 { CZ:129.158 } atom: 626 57L-HG G 1.452 ambi=1 { CG:27.081 } ::sumAvg: 4.6 atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } atom: 647 59K-H N 7.433 ambi=1 { N:122.037 } ::sumAvg: 4.44 atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } atom: 648 59K-HA A 4.093 ambi=1 { CA:58.936 } ::sumAvg: 4.9 atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } atom: 653 59K-QD D 1.663 ambi=2 { CD:29.326 } ::sumAvg: 3.64 atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } ::sumAvg: 4.235 atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } ::sumAvg: 3.53 atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } :: atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } ::sumAvg: 3.235 atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } :: atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } ::sumAvg: 3.885 atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } :: atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } ::sumAvg: 4.185 atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } atom: 711 63E-HG2 G 2.697 ambi=2 { CG:36.961 } :: atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } atom: 712 63E-HG3 G 2.175 ambi=2 { CG:36.961 } ::sumAvg: 4.42 atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } ::sumAvg: 4.265 atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } ::sumAvg: 4.265 atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } ::sumAvg: 4.935 atom: 670 60W-HE3 E3 6.741 ambi=1 { CE3:119.675 } atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } ::sumAvg: 4.385 atom: 670 60W-HE3 E3 6.741 ambi=1 { CE3:119.675 } atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } :: atom: 670 60W-HE3 E3 6.741 ambi=1 { CE3:119.675 } atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } ::sumAvg: 2.525 atom: 670 60W-HE3 E3 6.741 ambi=1 { CE3:119.675 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 3.54 atom: 670 60W-HE3 E3 6.741 ambi=1 { CE3:119.675 } atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } :: atom: 670 60W-HE3 E3 6.741 ambi=1 { CE3:119.675 } atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } ::sumAvg: 3.49 atom: 670 60W-HE3 E3 6.741 ambi=1 { CE3:119.675 } atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } :: atom: 670 60W-HE3 E3 6.741 ambi=1 { CE3:119.675 } atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } ::sumAvg: 4.89 atom: 670 60W-HE3 E3 6.741 ambi=1 { CE3:119.675 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } ::sumAvg: 4.985 atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } ::sumAvg: 4.265 atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 4.71 atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } ::sumAvg: 4.925 atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } ::sumAvg: 4.925 atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } atom: 937 83R-HA A 4.32 ambi=1 { CA:58.496 } ::sumAvg: 4.96 atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } atom: 944 83R-HE E 7.755 ambi=1 { NE:84.936 } ::sumAvg: 3.32 atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } ::sumAvg: 4.965 atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } ::sumAvg: 3.78 atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } ::sumAvg: 4.48 atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 4.21 atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } ::sumAvg: 4.21 atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 909 80L-HA A 4.025 ambi=1 { CA:58.699 } ::sumAvg: 3.69 atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 910 80L-HB2 B 1.96 ambi=2 { CB:40.812 } :: atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 911 80L-HB3 B 1.585 ambi=2 { CB:40.812 } ::sumAvg: 4.51 atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } ::sumAvg: 4.405 atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } :: atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } ::sumAvg: 3.885 atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } :: atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } ::sumAvg: 4.16 atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 955 84I-HG12 G1 1.78 ambi=2 { CG1:29.885 } :: atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } ::sumAvg: 4.06 atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } ::sumAvg: 4.125 atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } :: atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } ::sumAvg: 4.865 atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 4.575 atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } atom: 909 80L-HA A 4.025 ambi=1 { CA:58.699 } ::sumAvg: 4.135 atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } atom: 937 83R-HA A 4.32 ambi=1 { CA:58.496 } ::sumAvg: 4.915 atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } atom: 944 83R-HE E 7.755 ambi=1 { NE:84.936 } ::sumAvg: 4.4 atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } ::sumAvg: 4.01 atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } ::sumAvg: 3.985 atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } atom: 955 84I-HG12 G1 1.78 ambi=2 { CG1:29.885 } :: atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } ::sumAvg: 2.965 atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } ::sumAvg: 4 atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } ::sumAvg: 4.48 atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } ::sumAvg: 4.89 atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } ::sumAvg: 3.69 atom: 845 75F-HZ Z 7.018 ambi=1 { CZ:129.158 } atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } ::sumAvg: 4.25 atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } atom: 718 64V-H N 8.167 ambi=1 { N:119.573 } ::sumAvg: 4.265 atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 720 64V-HB B 2.272 ambi=1 { CB:31.897 } ::sumAvg: 4.69 atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } atom: 772 69A-HA A 4.606 ambi=1 { CA:50.486 } ::sumAvg: 4.725 atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } atom: 778 70T-H N 7.974 ambi=1 { N:109.871 } ::sumAvg: 4.935 atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } atom: 778 70T-H N 7.974 ambi=1 { N:109.871 } ::sumAvg: 4.45 atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } ::sumAvg: 3.365 atom: 841 75F-QD D 7.14 ambi=3 { CD1:131.554 } atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } ::sumAvg: 2.465 atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } ::sumAvg: 3.275 atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } ::sumAvg: 4.905 atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } atom: 790 71T-HG2 G2 1.556 ambi=1 { CG2:22.712 } ::sumAvg: 4.745 atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 790 71T-HG2 G2 1.556 ambi=1 { CG2:22.712 } ::sumAvg: 2.97 atom: 845 75F-HZ Z 7.018 ambi=1 { CZ:129.158 } atom: 790 71T-HG2 G2 1.556 ambi=1 { CG2:22.712 } ::sumAvg: 4.37 atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } atom: 807 73Q-H N 7.299 ambi=1 { N:116.865 } ::sumAvg: 4.625 atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } atom: 813 73Q-HE21 E2 6.98 ambi=2 { NE2:112.266 } :: atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } atom: 814 73Q-HE22 E2 6.62 ambi=2 { NE2:112.266 } ::sumAvg: 4.485 atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } atom: 813 73Q-HE21 E2 6.98 ambi=2 { NE2:112.266 } :: atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } atom: 814 73Q-HE22 E2 6.62 ambi=2 { NE2:112.266 } ::sumAvg: 3.71 atom: 841 75F-QD D 7.14 ambi=3 { CD1:131.554 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } ::sumAvg: 3.495 atom: 841 75F-QD D 7.14 ambi=3 { CD1:131.554 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 3.945 atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 3.795 atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } atom: 944 83R-HE E 7.755 ambi=1 { NE:84.936 } ::sumAvg: 2.76 atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } ::sumAvg: 4.64 atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } ::sumAvg: 4.675 atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } :: atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } ::sumAvg: 4.425 # Missing interactons for c_ali.peaks atom: 2 1M-QB B 2.657 ambi=2 { CB:31.021 } atom: 4 1M-QG G 2.194 ambi=2 { CG:33.341 } ::sumAvg: 2.05 atom: 4 1M-QG G 2.194 ambi=2 { CG:33.341 } atom: 2 1M-QB B 2.657 ambi=2 { CB:31.021 } ::sumAvg: 2.05 atom: 2 1M-QB B 2.657 ambi=2 { CB:31.021 } atom: 6 1M-HE E 2.125 ambi=1 { CE:16.846 } ::sumAvg: 2.82 atom: 6 1M-HE E 2.125 ambi=1 { CE:16.846 } atom: 2 1M-QB B 2.657 ambi=2 { CB:31.021 } ::sumAvg: 2.82 atom: 2 1M-QB B 2.657 ambi=2 { CB:31.021 } atom: 11 2T-HA A 4.572 ambi=1 { CA:61.818 } ::sumAvg: 4.34 atom: 11 2T-HA A 4.572 ambi=1 { CA:61.818 } atom: 2 1M-QB B 2.657 ambi=2 { CB:31.021 } ::sumAvg: 4.34 atom: 2 1M-QB B 2.657 ambi=2 { CB:31.021 } atom: 13 2T-HG2 G2 1.327 ambi=1 { CG2:22.009 } ::sumAvg: 4.81 atom: 2 1M-QB B 2.657 ambi=2 { CB:31.021 } atom: 1 1M-HA A 4.19 ambi=1 { CA:55.182 } ::sumAvg: 2.295 atom: 1 1M-HA A 4.19 ambi=1 { CA:55.182 } atom: 4 1M-QG G 2.194 ambi=2 { CG:33.341 } ::sumAvg: 3 atom: 1 1M-HA A 4.19 ambi=1 { CA:55.182 } atom: 6 1M-HE E 2.125 ambi=1 { CE:16.846 } ::sumAvg: 3.76 atom: 6 1M-HE E 2.125 ambi=1 { CE:16.846 } atom: 1 1M-HA A 4.19 ambi=1 { CA:55.182 } ::sumAvg: 3.76 atom: 4 1M-QG G 2.194 ambi=2 { CG:33.341 } atom: 11 2T-HA A 4.572 ambi=1 { CA:61.818 } ::sumAvg: 4.91 atom: 11 2T-HA A 4.572 ambi=1 { CA:61.818 } atom: 4 1M-QG G 2.194 ambi=2 { CG:33.341 } ::sumAvg: 4.91 atom: 11 2T-HA A 4.572 ambi=1 { CA:61.818 } atom: 21 3S-HB3 B 4.151 ambi=2 { CB:65.053 } ::sumAvg: 4.635 atom: 21 3S-HB3 B 4.151 ambi=2 { CB:65.053 } atom: 11 2T-HA A 4.572 ambi=1 { CA:61.818 } ::sumAvg: 4.635 atom: 54 6D-HB2 B 2.851 ambi=2 { CB:40.855 } atom: 11 2T-HA A 4.572 ambi=1 { CA:61.818 } :: atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } atom: 11 2T-HA A 4.572 ambi=1 { CA:61.818 } ::sumAvg: 3.76 atom: 12 2T-HB B 4.259 ambi=1 { CB:70.142 } atom: 18 3S-H N 9.133 ambi=1 { N:120.759 } ::sumAvg: 4.105 atom: 12 2T-HB B 4.259 ambi=1 { CB:70.142 } atom: 63 7R-HG2 G 1.917 ambi=2 { CG:27.13 } :: atom: 12 2T-HB B 4.259 ambi=1 { CB:70.142 } atom: 64 7R-HG3 G 1.613 ambi=2 { CG:27.13 } ::sumAvg: 4.805 atom: 12 2T-HB B 4.259 ambi=1 { CB:70.142 } atom: 65 7R-HD2 D 3.16 ambi=2 { CD:43.632 } :: atom: 12 2T-HB B 4.259 ambi=1 { CB:70.142 } atom: 66 7R-HD3 D 2.99 ambi=2 { CD:43.632 } ::sumAvg: 4.845 atom: 65 7R-HD2 D 3.16 ambi=2 { CD:43.632 } atom: 12 2T-HB B 4.259 ambi=1 { CB:70.142 } :: atom: 66 7R-HD3 D 2.99 ambi=2 { CD:43.632 } atom: 12 2T-HB B 4.259 ambi=1 { CB:70.142 } ::sumAvg: 4.845 atom: 20 3S-HB2 B 4.399 ambi=2 { CB:65.053 } atom: 13 2T-HG2 G2 1.327 ambi=1 { CG2:22.009 } :: atom: 21 3S-HB3 B 4.151 ambi=2 { CB:65.053 } atom: 13 2T-HG2 G2 1.327 ambi=1 { CG2:22.009 } ::sumAvg: 4.84 atom: 13 2T-HG2 G2 1.327 ambi=1 { CG2:22.009 } atom: 18 3S-H N 9.133 ambi=1 { N:120.759 } ::sumAvg: 3.17 atom: 13 2T-HG2 G2 1.327 ambi=1 { CG2:22.009 } atom: 19 3S-HA A 4.748 ambi=1 { CA:58.122 } ::sumAvg: 4.13 atom: 19 3S-HA A 4.748 ambi=1 { CA:58.122 } atom: 13 2T-HG2 G2 1.327 ambi=1 { CG2:22.009 } ::sumAvg: 4.13 atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } atom: 13 2T-HG2 G2 1.327 ambi=1 { CG2:22.009 } ::sumAvg: 4.91 atom: 54 6D-HB2 B 2.851 ambi=2 { CB:40.855 } atom: 13 2T-HG2 G2 1.327 ambi=1 { CG2:22.009 } :: atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } atom: 13 2T-HG2 G2 1.327 ambi=1 { CG2:22.009 } ::sumAvg: 3.35 atom: 13 2T-HG2 G2 1.327 ambi=1 { CG2:22.009 } atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } ::sumAvg: 4.205 atom: 13 2T-HG2 G2 1.327 ambi=1 { CG2:22.009 } atom: 60 7R-HA A 4.051 ambi=1 { CA:59.316 } ::sumAvg: 4.655 atom: 60 7R-HA A 4.051 ambi=1 { CA:59.316 } atom: 13 2T-HG2 G2 1.327 ambi=1 { CG2:22.009 } ::sumAvg: 4.655 atom: 63 7R-HG2 G 1.917 ambi=2 { CG:27.13 } atom: 13 2T-HG2 G2 1.327 ambi=1 { CG2:22.009 } ::sumAvg: 3.095 atom: 13 2T-HG2 G2 1.327 ambi=1 { CG2:22.009 } atom: 65 7R-HD2 D 3.16 ambi=2 { CD:43.632 } :: atom: 13 2T-HG2 G2 1.327 ambi=1 { CG2:22.009 } atom: 66 7R-HD3 D 2.99 ambi=2 { CD:43.632 } ::sumAvg: 3.33 atom: 13 2T-HG2 G2 1.327 ambi=1 { CG2:22.009 } atom: 67 7R-HE E 7.121 ambi=1 { NE:83.797 } ::sumAvg: 3.18 atom: 20 3S-HB2 B 4.399 ambi=2 { CB:65.053 } atom: 37 5F-HB2 B 3.171 ambi=2 { CB:38.669 } :: atom: 20 3S-HB2 B 4.399 ambi=2 { CB:65.053 } atom: 38 5F-HB3 B 2.907 ambi=2 { CB:38.669 } :: atom: 21 3S-HB3 B 4.151 ambi=2 { CB:65.053 } atom: 37 5F-HB2 B 3.171 ambi=2 { CB:38.669 } :: atom: 21 3S-HB3 B 4.151 ambi=2 { CB:65.053 } atom: 38 5F-HB3 B 2.907 ambi=2 { CB:38.669 } ::sumAvg: 3.34 atom: 20 3S-HB2 B 4.399 ambi=2 { CB:65.053 } atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } :: atom: 21 3S-HB3 B 4.151 ambi=2 { CB:65.053 } atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } ::sumAvg: 4.595 atom: 20 3S-HB2 B 4.399 ambi=2 { CB:65.053 } atom: 54 6D-HB2 B 2.851 ambi=2 { CB:40.855 } :: atom: 20 3S-HB2 B 4.399 ambi=2 { CB:65.053 } atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } :: atom: 21 3S-HB3 B 4.151 ambi=2 { CB:65.053 } atom: 54 6D-HB2 B 2.851 ambi=2 { CB:40.855 } :: atom: 21 3S-HB3 B 4.151 ambi=2 { CB:65.053 } atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } ::sumAvg: 3.48 atom: 54 6D-HB2 B 2.851 ambi=2 { CB:40.855 } atom: 20 3S-HB2 B 4.399 ambi=2 { CB:65.053 } :: atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } atom: 20 3S-HB2 B 4.399 ambi=2 { CB:65.053 } :: atom: 54 6D-HB2 B 2.851 ambi=2 { CB:40.855 } atom: 21 3S-HB3 B 4.151 ambi=2 { CB:65.053 } :: atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } atom: 21 3S-HB3 B 4.151 ambi=2 { CB:65.053 } ::sumAvg: 3.48 atom: 20 3S-HB2 B 4.399 ambi=2 { CB:65.053 } atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } :: atom: 21 3S-HB3 B 4.151 ambi=2 { CB:65.053 } atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } ::sumAvg: 4.99 atom: 19 3S-HA A 4.748 ambi=1 { CA:58.122 } atom: 18 3S-H N 9.133 ambi=1 { N:120.759 } ::sumAvg: 2.865 atom: 54 6D-HB2 B 2.851 ambi=2 { CB:40.855 } atom: 18 3S-H N 9.133 ambi=1 { N:120.759 } :: atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } atom: 18 3S-H N 9.133 ambi=1 { N:120.759 } ::sumAvg: 3.165 atom: 63 7R-HG2 G 1.917 ambi=2 { CG:27.13 } atom: 18 3S-H N 9.133 ambi=1 { N:120.759 } :: atom: 64 7R-HG3 G 1.613 ambi=2 { CG:27.13 } atom: 18 3S-H N 9.133 ambi=1 { N:120.759 } ::sumAvg: 4.57 atom: 19 3S-HA A 4.748 ambi=1 { CA:58.122 } atom: 21 3S-HB3 B 4.151 ambi=2 { CB:65.053 } ::sumAvg: 2.465 atom: 19 3S-HA A 4.748 ambi=1 { CA:58.122 } atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } ::sumAvg: 4.36 atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } atom: 19 3S-HA A 4.748 ambi=1 { CA:58.122 } ::sumAvg: 4.36 atom: 19 3S-HA A 4.748 ambi=1 { CA:58.122 } atom: 26 4T-H N 8.914 ambi=1 { N:120.456 } ::sumAvg: 2.465 atom: 19 3S-HA A 4.748 ambi=1 { CA:58.122 } atom: 35 5F-H N 9.106 ambi=1 { N:121.11 } ::sumAvg: 4.2 atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } atom: 35 5F-H N 9.106 ambi=1 { N:121.11 } ::sumAvg: 3.515 atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } atom: 36 5F-HA A 3.791 ambi=1 { CA:62.704 } ::sumAvg: 4.84 atom: 36 5F-HA A 3.791 ambi=1 { CA:62.704 } atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } ::sumAvg: 4.84 atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } atom: 61 7R-HB2 B 2.154 ambi=2 { CB:31.146 } :: atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } atom: 62 7R-HB3 B 2.021 ambi=2 { CB:31.146 } ::sumAvg: 3.185 atom: 61 7R-HB2 B 2.154 ambi=2 { CB:31.146 } atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } :: atom: 62 7R-HB3 B 2.021 ambi=2 { CB:31.146 } atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } ::sumAvg: 3.185 atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } ::sumAvg: 3.705 atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } atom: 63 7R-HG2 G 1.917 ambi=2 { CG:27.13 } :: atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } atom: 64 7R-HG3 G 1.613 ambi=2 { CG:27.13 } ::sumAvg: 3.425 atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } atom: 65 7R-HD2 D 3.16 ambi=2 { CD:43.632 } :: atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } atom: 66 7R-HD3 D 2.99 ambi=2 { CD:43.632 } ::sumAvg: 4.65 atom: 65 7R-HD2 D 3.16 ambi=2 { CD:43.632 } atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } :: atom: 66 7R-HD3 D 2.99 ambi=2 { CD:43.632 } atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } ::sumAvg: 4.65 atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } :: atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } ::sumAvg: 3.95 atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } ::sumAvg: 4.295 atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } ::sumAvg: 3.235 atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } ::sumAvg: 4.465 atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } ::sumAvg: 4.895 atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } ::sumAvg: 4.895 atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } :: atom: 27 4T-HA A 4.232 ambi=1 { CA:67.564 } atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } ::sumAvg: 4.86 atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } atom: 37 5F-HB2 B 3.171 ambi=2 { CB:38.669 } :: atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } atom: 38 5F-HB3 B 2.907 ambi=2 { CB:38.669 } ::sumAvg: 4.64 atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } atom: 35 5F-H N 9.106 ambi=1 { N:121.11 } ::sumAvg: 2.92 atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } :: atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } ::sumAvg: 4.27 atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } :: atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } ::sumAvg: 4.27 atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } ::sumAvg: 2.99 atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } atom: 966 85D-H N 8.336 ambi=1 { N:120.167 } ::sumAvg: 4.38 atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } :: atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } ::sumAvg: 2.865 atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } :: atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } ::sumAvg: 2.865 atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } :: atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } ::sumAvg: 4.98 atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } :: atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } ::sumAvg: 4.98 atom: 28 4T-HB B 4.025 ambi=1 { CB:67.526 } atom: 26 4T-H N 8.914 ambi=1 { N:120.456 } ::sumAvg: 2.68 atom: 37 5F-HB2 B 3.171 ambi=2 { CB:38.669 } atom: 26 4T-H N 8.914 ambi=1 { N:120.456 } :: atom: 38 5F-HB3 B 2.907 ambi=2 { CB:38.669 } atom: 26 4T-H N 8.914 ambi=1 { N:120.456 } ::sumAvg: 4.895 atom: 37 5F-HB2 B 3.171 ambi=2 { CB:38.669 } atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } ::sumAvg: 4.65 atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } atom: 37 5F-HB2 B 3.171 ambi=2 { CB:38.669 } ::sumAvg: 4.65 atom: 53 6D-HA A 3.831 ambi=1 { CA:57.848 } atom: 37 5F-HB2 B 3.171 ambi=2 { CB:38.669 } :: atom: 53 6D-HA A 3.831 ambi=1 { CA:57.848 } atom: 38 5F-HB3 B 2.907 ambi=2 { CB:38.669 } ::sumAvg: 4.445 atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } atom: 37 5F-HB2 B 3.171 ambi=2 { CB:38.669 } :: atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } atom: 37 5F-HB2 B 3.171 ambi=2 { CB:38.669 } :: atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } atom: 38 5F-HB3 B 2.907 ambi=2 { CB:38.669 } :: atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } atom: 38 5F-HB3 B 2.907 ambi=2 { CB:38.669 } ::sumAvg: 4.57 atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } atom: 37 5F-HB2 B 3.171 ambi=2 { CB:38.669 } :: atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } atom: 38 5F-HB3 B 2.907 ambi=2 { CB:38.669 } ::sumAvg: 3.63 atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } atom: 36 5F-HA A 3.791 ambi=1 { CA:62.704 } ::sumAvg: 4.04 atom: 61 7R-HB2 B 2.154 ambi=2 { CB:31.146 } atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } :: atom: 62 7R-HB3 B 2.021 ambi=2 { CB:31.146 } atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } ::sumAvg: 3.755 atom: 63 7R-HG2 G 1.917 ambi=2 { CG:27.13 } atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } :: atom: 64 7R-HG3 G 1.613 ambi=2 { CG:27.13 } atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } ::sumAvg: 4.605 atom: 77 8V-HB B 2.093 ambi=1 { CB:31.572 } atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } ::sumAvg: 4.485 atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } ::sumAvg: 3.72 atom: 930 82A-HA A 4.194 ambi=1 { CA:55.364 } atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } ::sumAvg: 4.395 atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } ::sumAvg: 4.655 atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } ::sumAvg: 4.655 atom: 955 84I-HG12 G1 1.78 ambi=2 { CG1:29.885 } atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } :: atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } ::sumAvg: 4.825 atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } atom: 967 85D-HA A 4.4 ambi=1 { CA:57.931 } ::sumAvg: 2.47 atom: 967 85D-HA A 4.4 ambi=1 { CA:57.931 } atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } ::sumAvg: 2.47 atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } :: atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } ::sumAvg: 2.23 atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } :: atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } ::sumAvg: 2.23 atom: 29 4T-HG2 G2 1.139 ambi=1 { CG2:22.886 } atom: 999 88V-H N 9.041 ambi=1 { N:122.841 } ::sumAvg: 4.895 atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } atom: 35 5F-H N 9.106 ambi=1 { N:121.11 } :: atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } atom: 35 5F-H N 9.106 ambi=1 { N:121.11 } ::sumAvg: 4.54 atom: 36 5F-HA A 3.791 ambi=1 { CA:62.704 } atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } ::sumAvg: 4.445 atom: 36 5F-HA A 3.791 ambi=1 { CA:62.704 } atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } ::sumAvg: 4.815 atom: 54 6D-HB2 B 2.851 ambi=2 { CB:40.855 } atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } :: atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } ::sumAvg: 4.52 atom: 77 8V-HB B 2.093 ambi=1 { CB:31.572 } atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } ::sumAvg: 3.91 atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } :: atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } ::sumAvg: 3.945 atom: 267 25P-HG2 G 1.678 ambi=2 { CG:27.144 } atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } :: atom: 268 25P-HG3 G 0.24 ambi=2 { CG:27.144 } atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } ::sumAvg: 4.47 atom: 269 25P-HD2 D 3.612 ambi=2 { CD:50.475 } atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } :: atom: 270 25P-HD3 D 3.478 ambi=2 { CD:50.475 } atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } ::sumAvg: 4.47 atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } ::sumAvg: 3.165 atom: 882 78K-HB2 B 1.835 ambi=2 { CB:31.138 } atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } :: atom: 883 78K-HB3 B 1.603 ambi=2 { CB:31.138 } atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } ::sumAvg: 4.72 atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } atom: 39 5F-QD D 6.995 ambi=3 { CD1:131.74 } ::sumAvg: 2.615 atom: 53 6D-HA A 3.831 ambi=1 { CA:57.848 } atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } ::sumAvg: 4.575 atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } ::sumAvg: 4.575 atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } :: atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } ::sumAvg: 4.105 atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } ::sumAvg: 4.265 atom: 882 78K-HB2 B 1.835 ambi=2 { CB:31.138 } atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } :: atom: 883 78K-HB3 B 1.603 ambi=2 { CB:31.138 } atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } ::sumAvg: 4.8 atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } atom: 41 5F-QE E 7.17 ambi=3 { CE1:130.986 } ::sumAvg: 4.47 atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } atom: 43 5F-HZ Z 6.872 ambi=1 { CZ:128.681 } ::sumAvg: 4.715 atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } atom: 43 5F-HZ Z 6.872 ambi=1 { CZ:128.681 } :: atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } atom: 43 5F-HZ Z 6.872 ambi=1 { CZ:128.681 } ::sumAvg: 4.7 atom: 267 25P-HG2 G 1.678 ambi=2 { CG:27.144 } atom: 43 5F-HZ Z 6.872 ambi=1 { CZ:128.681 } :: atom: 268 25P-HG3 G 0.24 ambi=2 { CG:27.144 } atom: 43 5F-HZ Z 6.872 ambi=1 { CZ:128.681 } ::sumAvg: 4.245 atom: 868 77L-HB2 B 1.607 ambi=2 { CB:40.901 } atom: 43 5F-HZ Z 6.872 ambi=1 { CZ:128.681 } :: atom: 869 77L-HB3 B 2.547 ambi=2 { CB:40.901 } atom: 43 5F-HZ Z 6.872 ambi=1 { CZ:128.681 } ::sumAvg: 4.13 atom: 54 6D-HB2 B 2.851 ambi=2 { CB:40.855 } atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } :: atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } ::sumAvg: 3.075 atom: 60 7R-HA A 4.051 ambi=1 { CA:59.316 } atom: 54 6D-HB2 B 2.851 ambi=2 { CB:40.855 } :: atom: 60 7R-HA A 4.051 ambi=1 { CA:59.316 } atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } ::sumAvg: 4.385 atom: 54 6D-HB2 B 2.851 ambi=2 { CB:40.855 } atom: 63 7R-HG2 G 1.917 ambi=2 { CG:27.13 } :: atom: 54 6D-HB2 B 2.851 ambi=2 { CB:40.855 } atom: 64 7R-HG3 G 1.613 ambi=2 { CG:27.13 } :: atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } atom: 63 7R-HG2 G 1.917 ambi=2 { CG:27.13 } :: atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } atom: 64 7R-HG3 G 1.613 ambi=2 { CG:27.13 } ::sumAvg: 3.855 atom: 63 7R-HG2 G 1.917 ambi=2 { CG:27.13 } atom: 54 6D-HB2 B 2.851 ambi=2 { CB:40.855 } :: atom: 64 7R-HG3 G 1.613 ambi=2 { CG:27.13 } atom: 54 6D-HB2 B 2.851 ambi=2 { CB:40.855 } :: atom: 63 7R-HG2 G 1.917 ambi=2 { CG:27.13 } atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } :: atom: 64 7R-HG3 G 1.613 ambi=2 { CG:27.13 } atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } ::sumAvg: 3.855 atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } atom: 65 7R-HD2 D 3.16 ambi=2 { CD:43.632 } ::sumAvg: 4.525 atom: 65 7R-HD2 D 3.16 ambi=2 { CD:43.632 } atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } ::sumAvg: 4.525 atom: 54 6D-HB2 B 2.851 ambi=2 { CB:40.855 } atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } :: atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } ::sumAvg: 4.475 atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } atom: 54 6D-HB2 B 2.851 ambi=2 { CB:40.855 } :: atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } atom: 55 6D-HB3 B 2.646 ambi=2 { CB:40.855 } ::sumAvg: 4.475 atom: 53 6D-HA A 3.831 ambi=1 { CA:57.848 } atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } ::sumAvg: 3.515 atom: 53 6D-HA A 3.831 ambi=1 { CA:57.848 } atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } ::sumAvg: 4.78 atom: 53 6D-HA A 3.831 ambi=1 { CA:57.848 } atom: 93 10T-H N 7.804 ambi=1 { N:114.24 } ::sumAvg: 4.21 atom: 61 7R-HB2 B 2.154 ambi=2 { CB:31.146 } atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } :: atom: 61 7R-HB2 B 2.154 ambi=2 { CB:31.146 } atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } :: atom: 62 7R-HB3 B 2.021 ambi=2 { CB:31.146 } atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } :: atom: 62 7R-HB3 B 2.021 ambi=2 { CB:31.146 } atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } ::sumAvg: 3.24 atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } atom: 61 7R-HB2 B 2.154 ambi=2 { CB:31.146 } :: atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } atom: 61 7R-HB2 B 2.154 ambi=2 { CB:31.146 } :: atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } atom: 62 7R-HB3 B 2.021 ambi=2 { CB:31.146 } :: atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } atom: 62 7R-HB3 B 2.021 ambi=2 { CB:31.146 } ::sumAvg: 3.24 atom: 61 7R-HB2 B 2.154 ambi=2 { CB:31.146 } atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } :: atom: 62 7R-HB3 B 2.021 ambi=2 { CB:31.146 } atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } ::sumAvg: 2.515 atom: 61 7R-HB2 B 2.154 ambi=2 { CB:31.146 } atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } :: atom: 62 7R-HB3 B 2.021 ambi=2 { CB:31.146 } atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } ::sumAvg: 4.38 atom: 61 7R-HB2 B 2.154 ambi=2 { CB:31.146 } atom: 86 9A-H N 8.936 ambi=1 { N:122.831 } :: atom: 62 7R-HB3 B 2.021 ambi=2 { CB:31.146 } atom: 86 9A-H N 8.936 ambi=1 { N:122.831 } ::sumAvg: 4.88 atom: 61 7R-HB2 B 2.154 ambi=2 { CB:31.146 } atom: 96 10T-HG2 G2 1.222 ambi=1 { CG2:21.714 } :: atom: 62 7R-HB3 B 2.021 ambi=2 { CB:31.146 } atom: 96 10T-HG2 G2 1.222 ambi=1 { CG2:21.714 } ::sumAvg: 4.81 atom: 61 7R-HB2 B 2.154 ambi=2 { CB:31.146 } atom: 108 11I-HD1 D1 0.764 ambi=1 { CD1:14.4 } :: atom: 62 7R-HB3 B 2.021 ambi=2 { CB:31.146 } atom: 108 11I-HD1 D1 0.764 ambi=1 { CD1:14.4 } ::sumAvg: 4.245 atom: 61 7R-HB2 B 2.154 ambi=2 { CB:31.146 } atom: 536 50A-HB B 1.239 ambi=1 { CB:19.174 } :: atom: 62 7R-HB3 B 2.021 ambi=2 { CB:31.146 } atom: 536 50A-HB B 1.239 ambi=1 { CB:19.174 } ::sumAvg: 4.475 atom: 61 7R-HB2 B 2.154 ambi=2 { CB:31.146 } atom: 546 51F-QD D 7.5955 ambi=3 { CD1:132.829 } :: atom: 62 7R-HB3 B 2.021 ambi=2 { CB:31.146 } atom: 546 51F-QD D 7.5955 ambi=3 { CD1:132.829 } ::sumAvg: 4.525 atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } :: atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } ::sumAvg: 4.195 atom: 77 8V-HB B 2.093 ambi=1 { CB:31.572 } atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } ::sumAvg: 4.885 atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } atom: 59 7R-H N 8.037 ambi=1 { N:119.106 } ::sumAvg: 4.595 atom: 60 7R-HA A 4.051 ambi=1 { CA:59.316 } atom: 67 7R-HE E 7.121 ambi=1 { NE:83.797 } ::sumAvg: 3.78 atom: 60 7R-HA A 4.051 ambi=1 { CA:59.316 } atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } ::sumAvg: 4.88 atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } atom: 60 7R-HA A 4.051 ambi=1 { CA:59.316 } ::sumAvg: 4.88 atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } atom: 60 7R-HA A 4.051 ambi=1 { CA:59.316 } ::sumAvg: 4.82 atom: 60 7R-HA A 4.051 ambi=1 { CA:59.316 } atom: 86 9A-H N 8.936 ambi=1 { N:122.831 } ::sumAvg: 4.32 atom: 60 7R-HA A 4.051 ambi=1 { CA:59.316 } atom: 96 10T-HG2 G2 1.222 ambi=1 { CG2:21.714 } ::sumAvg: 3.215 atom: 60 7R-HA A 4.051 ambi=1 { CA:59.316 } atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } ::sumAvg: 4.44 atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } atom: 60 7R-HA A 4.051 ambi=1 { CA:59.316 } :: atom: 106 11I-HG13 G1 1.087 ambi=2 { CG1:29.844 } atom: 60 7R-HA A 4.051 ambi=1 { CA:59.316 } ::sumAvg: 4.35 atom: 60 7R-HA A 4.051 ambi=1 { CA:59.316 } atom: 108 11I-HD1 D1 0.764 ambi=1 { CD1:14.4 } ::sumAvg: 4.88 atom: 63 7R-HG2 G 1.917 ambi=2 { CG:27.13 } atom: 67 7R-HE E 7.121 ambi=1 { NE:83.797 } :: atom: 64 7R-HG3 G 1.613 ambi=2 { CG:27.13 } atom: 67 7R-HE E 7.121 ambi=1 { NE:83.797 } ::sumAvg: 2.82 atom: 63 7R-HG2 G 1.917 ambi=2 { CG:27.13 } atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } :: atom: 64 7R-HG3 G 1.613 ambi=2 { CG:27.13 } atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } ::sumAvg: 4.235 atom: 65 7R-HD2 D 3.16 ambi=2 { CD:43.632 } atom: 67 7R-HE E 7.121 ambi=1 { NE:83.797 } :: atom: 66 7R-HD3 D 2.99 ambi=2 { CD:43.632 } atom: 67 7R-HE E 7.121 ambi=1 { NE:83.797 } ::sumAvg: 2.505 atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } :: atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } ::sumAvg: 4.655 atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } atom: 104 11I-HB B 2.016 ambi=1 { CB:38.514 } :: atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } atom: 104 11I-HB B 2.016 ambi=1 { CB:38.514 } ::sumAvg: 3.525 atom: 104 11I-HB B 2.016 ambi=1 { CB:38.514 } atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } :: atom: 104 11I-HB B 2.016 ambi=1 { CB:38.514 } atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } ::sumAvg: 3.525 atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } :: atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } ::sumAvg: 4.71 atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } atom: 119 12I-HG12 G1 1.959 ambi=2 { CG1:29.61 } :: atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } atom: 119 12I-HG12 G1 1.959 ambi=2 { CG1:29.61 } ::sumAvg: 2.775 atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } atom: 546 51F-QD D 7.5955 ambi=3 { CD1:132.829 } :: atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } atom: 546 51F-QD D 7.5955 ambi=3 { CD1:132.829 } ::sumAvg: 4.29 atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } atom: 867 77L-HA A 4.036 ambi=1 { CA:59.047 } :: atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } atom: 867 77L-HA A 4.036 ambi=1 { CA:59.047 } ::sumAvg: 4.025 atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } :: atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } ::sumAvg: 4.69 atom: 78 8V-HG1 G1 0.833 ambi=2 { CG1:21.713 } atom: 966 85D-H N 8.336 ambi=1 { N:120.167 } :: atom: 79 8V-HG2 G2 0.978 ambi=2 { CG2:24.597 } atom: 966 85D-H N 8.336 ambi=1 { N:120.167 } ::sumAvg: 4.785 atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } :: atom: 106 11I-HG13 G1 1.087 ambi=2 { CG1:29.844 } atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } ::sumAvg: 4.91 atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } atom: 75 8V-H N 8.537 ambi=1 { N:120.642 } ::sumAvg: 4.955 atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } atom: 77 8V-HB B 2.093 ambi=1 { CB:31.572 } ::sumAvg: 3.055 atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } atom: 93 10T-H N 7.804 ambi=1 { N:114.24 } ::sumAvg: 4.595 atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } :: atom: 106 11I-HG13 G1 1.087 ambi=2 { CG1:29.844 } atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } ::sumAvg: 3.29 atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } ::sumAvg: 3.92 atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } atom: 116 12I-H N 8.765 ambi=1 { N:123.056 } ::sumAvg: 4.195 atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } atom: 119 12I-HG12 G1 1.959 ambi=2 { CG1:29.61 } :: atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } atom: 120 12I-HG13 G1 0.876 ambi=2 { CG1:29.61 } ::sumAvg: 4.125 atom: 119 12I-HG12 G1 1.959 ambi=2 { CG1:29.61 } atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } :: atom: 120 12I-HG13 G1 0.876 ambi=2 { CG1:29.61 } atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } ::sumAvg: 4.125 atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } :: atom: 499 47I-HG13 G1 1.052 ambi=2 { CG1:30.491 } atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } ::sumAvg: 3.635 atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } atom: 501 47I-HD1 D1 0.847 ambi=1 { CD1:14.823 } ::sumAvg: 3.945 atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } ::sumAvg: 3.15 atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } ::sumAvg: 3.215 atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } ::sumAvg: 4.875 atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } ::sumAvg: 4.875 atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } ::sumAvg: 3.97 atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } atom: 76 8V-HA A 3.514 ambi=1 { CA:66.888 } ::sumAvg: 3.97 atom: 77 8V-HB B 2.093 ambi=1 { CB:31.572 } atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } ::sumAvg: 4.295 atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } atom: 77 8V-HB B 2.093 ambi=1 { CB:31.572 } ::sumAvg: 4.295 atom: 77 8V-HB B 2.093 ambi=1 { CB:31.572 } atom: 122 12I-HD1 D1 0.757 ambi=1 { CD1:14.757 } ::sumAvg: 4.265 atom: 122 12I-HD1 D1 0.757 ambi=1 { CD1:14.757 } atom: 77 8V-HB B 2.093 ambi=1 { CB:31.572 } ::sumAvg: 4.265 atom: 77 8V-HB B 2.093 ambi=1 { CB:31.572 } atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } ::sumAvg: 4.275 atom: 77 8V-HB B 2.093 ambi=1 { CB:31.572 } atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } ::sumAvg: 4.815 atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } atom: 77 8V-HB B 2.093 ambi=1 { CB:31.572 } ::sumAvg: 4.815 atom: 77 8V-HB B 2.093 ambi=1 { CB:31.572 } atom: 923 81A-HA A 3.863 ambi=1 { CA:55.256 } ::sumAvg: 4.15 atom: 923 81A-HA A 3.863 ambi=1 { CA:55.256 } atom: 77 8V-HB B 2.093 ambi=1 { CB:31.572 } ::sumAvg: 4.15 atom: 77 8V-HB B 2.093 ambi=1 { CB:31.572 } atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } ::sumAvg: 3.135 atom: 77 8V-HB B 2.093 ambi=1 { CB:31.572 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } ::sumAvg: 4.025 atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } ::sumAvg: 4.42 atom: 119 12I-HG12 G1 1.959 ambi=2 { CG1:29.61 } atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } :: atom: 120 12I-HG13 G1 0.876 ambi=2 { CG1:29.61 } atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } ::sumAvg: 3.955 atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } ::sumAvg: 4.375 atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } atom: 122 12I-HD1 D1 0.757 ambi=1 { CD1:14.757 } ::sumAvg: 3.24 atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } ::sumAvg: 4.15 atom: 132 13A-HB B 1.56 ambi=1 { CB:18.461 } atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } ::sumAvg: 4.595 atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } atom: 205 20R-HD2 D 3.203 ambi=2 { CD:42.308 } :: atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } atom: 206 20R-HD3 D 2.952 ambi=2 { CD:42.308 } ::sumAvg: 4.94 atom: 205 20R-HD2 D 3.203 ambi=2 { CD:42.308 } atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } :: atom: 206 20R-HD3 D 2.952 ambi=2 { CD:42.308 } atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } ::sumAvg: 4.94 atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } ::sumAvg: 4.695 atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } ::sumAvg: 4.695 atom: 244 23I-HG12 G1 1.894 ambi=2 { CG1:27.529 } atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } :: atom: 245 23I-HG13 G1 0.72 ambi=2 { CG1:27.529 } atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } ::sumAvg: 4.975 atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } ::sumAvg: 2.605 atom: 868 77L-HB2 B 1.607 ambi=2 { CB:40.901 } atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } :: atom: 869 77L-HB3 B 2.547 ambi=2 { CB:40.901 } atom: 87 9A-HA A 3.663 ambi=1 { CA:55.761 } ::sumAvg: 4.79 atom: 95 10T-HB B 4.278 ambi=1 { CB:68.902 } atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } ::sumAvg: 4.27 atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } ::sumAvg: 4.51 atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } atom: 116 12I-H N 8.765 ambi=1 { N:123.056 } ::sumAvg: 4.845 atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } ::sumAvg: 4.715 atom: 201 20R-HB2 B 1.852 ambi=2 { CB:29.515 } atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } :: atom: 202 20R-HB3 B 1.87 ambi=2 { CB:29.515 } atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } ::sumAvg: 4.625 atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } atom: 203 20R-HG2 G 1.817 ambi=2 { CG:27.379 } :: atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } atom: 204 20R-HG3 G 1.497 ambi=2 { CG:27.379 } ::sumAvg: 4.58 atom: 203 20R-HG2 G 1.817 ambi=2 { CG:27.379 } atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } :: atom: 204 20R-HG3 G 1.497 ambi=2 { CG:27.379 } atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } ::sumAvg: 4.58 atom: 244 23I-HG12 G1 1.894 ambi=2 { CG1:27.529 } atom: 88 9A-HB B 0.837 ambi=1 { CB:17.161 } ::sumAvg: 4.735 atom: 95 10T-HB B 4.278 ambi=1 { CB:68.902 } atom: 86 9A-H N 8.936 ambi=1 { N:122.831 } ::sumAvg: 4.86 atom: 96 10T-HG2 G2 1.222 ambi=1 { CG2:21.714 } atom: 86 9A-H N 8.936 ambi=1 { N:122.831 } ::sumAvg: 4.9 atom: 104 11I-HB B 2.016 ambi=1 { CB:38.514 } atom: 86 9A-H N 8.936 ambi=1 { N:122.831 } ::sumAvg: 4.935 atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } atom: 86 9A-H N 8.936 ambi=1 { N:122.831 } ::sumAvg: 4.53 atom: 94 10T-HA A 3.797 ambi=1 { CA:67.398 } atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } ::sumAvg: 3.545 atom: 94 10T-HA A 3.797 ambi=1 { CA:67.398 } atom: 116 12I-H N 8.765 ambi=1 { N:123.056 } ::sumAvg: 4.685 atom: 94 10T-HA A 3.797 ambi=1 { CA:67.398 } atom: 137 14E-H N 8.28 ambi=1 { N:114.386 } ::sumAvg: 4.15 atom: 94 10T-HA A 3.797 ambi=1 { CA:67.398 } atom: 141 14E-HG2 G 2.527 ambi=2 { CG:36.504 } :: atom: 94 10T-HA A 3.797 ambi=1 { CA:67.398 } atom: 142 14E-HG3 G 2.327 ambi=2 { CG:36.504 } ::sumAvg: 4.315 atom: 141 14E-HG2 G 2.527 ambi=2 { CG:36.504 } atom: 94 10T-HA A 3.797 ambi=1 { CA:67.398 } :: atom: 142 14E-HG3 G 2.327 ambi=2 { CG:36.504 } atom: 94 10T-HA A 3.797 ambi=1 { CA:67.398 } ::sumAvg: 4.315 atom: 94 10T-HA A 3.797 ambi=1 { CA:67.398 } atom: 203 20R-HG2 G 1.817 ambi=2 { CG:27.379 } :: atom: 94 10T-HA A 3.797 ambi=1 { CA:67.398 } atom: 204 20R-HG3 G 1.497 ambi=2 { CG:27.379 } ::sumAvg: 3.79 atom: 203 20R-HG2 G 1.817 ambi=2 { CG:27.379 } atom: 94 10T-HA A 3.797 ambi=1 { CA:67.398 } :: atom: 204 20R-HG3 G 1.497 ambi=2 { CG:27.379 } atom: 94 10T-HA A 3.797 ambi=1 { CA:67.398 } ::sumAvg: 3.79 atom: 94 10T-HA A 3.797 ambi=1 { CA:67.398 } atom: 207 20R-HE E 7.419 ambi=1 { NE:84.58 } ::sumAvg: 4.26 atom: 95 10T-HB B 4.278 ambi=1 { CB:68.902 } atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } ::sumAvg: 3.315 atom: 95 10T-HB B 4.278 ambi=1 { CB:68.902 } atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } :: atom: 95 10T-HB B 4.278 ambi=1 { CB:68.902 } atom: 106 11I-HG13 G1 1.087 ambi=2 { CG1:29.844 } ::sumAvg: 4.56 atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } atom: 95 10T-HB B 4.278 ambi=1 { CB:68.902 } :: atom: 106 11I-HG13 G1 1.087 ambi=2 { CG1:29.844 } atom: 95 10T-HB B 4.278 ambi=1 { CB:68.902 } ::sumAvg: 4.56 atom: 95 10T-HB B 4.278 ambi=1 { CB:68.902 } atom: 108 11I-HD1 D1 0.764 ambi=1 { CD1:14.4 } ::sumAvg: 4.865 atom: 95 10T-HB B 4.278 ambi=1 { CB:68.902 } atom: 132 13A-HB B 1.56 ambi=1 { CB:18.461 } ::sumAvg: 4.62 atom: 95 10T-HB B 4.278 ambi=1 { CB:68.902 } atom: 205 20R-HD2 D 3.203 ambi=2 { CD:42.308 } :: atom: 95 10T-HB B 4.278 ambi=1 { CB:68.902 } atom: 206 20R-HD3 D 2.952 ambi=2 { CD:42.308 } ::sumAvg: 4.54 atom: 95 10T-HB B 4.278 ambi=1 { CB:68.902 } atom: 207 20R-HE E 7.419 ambi=1 { NE:84.58 } ::sumAvg: 4.7 atom: 104 11I-HB B 2.016 ambi=1 { CB:38.514 } atom: 93 10T-H N 7.804 ambi=1 { N:114.24 } ::sumAvg: 4.855 atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } atom: 93 10T-H N 7.804 ambi=1 { N:114.24 } :: atom: 106 11I-HG13 G1 1.087 ambi=2 { CG1:29.844 } atom: 93 10T-H N 7.804 ambi=1 { N:114.24 } ::sumAvg: 4.55 atom: 132 13A-HB B 1.56 ambi=1 { CB:18.461 } atom: 93 10T-H N 7.804 ambi=1 { N:114.24 } ::sumAvg: 4.45 atom: 205 20R-HD2 D 3.203 ambi=2 { CD:42.308 } atom: 93 10T-H N 7.804 ambi=1 { N:114.24 } :: atom: 206 20R-HD3 D 2.952 ambi=2 { CD:42.308 } atom: 93 10T-H N 7.804 ambi=1 { N:114.24 } ::sumAvg: 4.225 atom: 96 10T-HG2 G2 1.222 ambi=1 { CG2:21.714 } atom: 103 11I-HA A 3.878 ambi=1 { CA:65.504 } ::sumAvg: 3.32 atom: 104 11I-HB B 2.016 ambi=1 { CB:38.514 } atom: 96 10T-HG2 G2 1.222 ambi=1 { CG2:21.714 } ::sumAvg: 4.695 atom: 139 14E-HB2 B 2.134 ambi=2 { CB:29.974 } atom: 96 10T-HG2 G2 1.222 ambi=1 { CG2:21.714 } :: atom: 140 14E-HB3 B 2.034 ambi=2 { CB:29.974 } atom: 96 10T-HG2 G2 1.222 ambi=1 { CG2:21.714 } ::sumAvg: 4.77 atom: 118 12I-HB B 1.841 ambi=1 { CB:37.927 } atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } ::sumAvg: 4.865 atom: 119 12I-HG12 G1 1.959 ambi=2 { CG1:29.61 } atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } :: atom: 120 12I-HG13 G1 0.876 ambi=2 { CG1:29.61 } atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } ::sumAvg: 4.46 atom: 132 13A-HB B 1.56 ambi=1 { CB:18.461 } atom: 102 11I-H N 7.745 ambi=1 { N:122.028 } ::sumAvg: 4.555 atom: 103 11I-HA A 3.878 ambi=1 { CA:65.504 } atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } ::sumAvg: 4.82 atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } atom: 103 11I-HA A 3.878 ambi=1 { CA:65.504 } ::sumAvg: 4.82 atom: 103 11I-HA A 3.878 ambi=1 { CA:65.504 } atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } ::sumAvg: 4.425 atom: 103 11I-HA A 3.878 ambi=1 { CA:65.504 } atom: 132 13A-HB B 1.56 ambi=1 { CB:18.461 } ::sumAvg: 4.87 atom: 132 13A-HB B 1.56 ambi=1 { CB:18.461 } atom: 103 11I-HA A 3.878 ambi=1 { CA:65.504 } ::sumAvg: 4.87 atom: 103 11I-HA A 3.878 ambi=1 { CA:65.504 } atom: 137 14E-H N 8.28 ambi=1 { N:114.386 } ::sumAvg: 3.825 atom: 103 11I-HA A 3.878 ambi=1 { CA:65.504 } atom: 141 14E-HG2 G 2.527 ambi=2 { CG:36.504 } :: atom: 103 11I-HA A 3.878 ambi=1 { CA:65.504 } atom: 142 14E-HG3 G 2.327 ambi=2 { CG:36.504 } ::sumAvg: 3.625 atom: 103 11I-HA A 3.878 ambi=1 { CA:65.504 } atom: 148 15T-H N 8.405 ambi=1 { N:115.39 } ::sumAvg: 4.06 atom: 103 11I-HA A 3.878 ambi=1 { CA:65.504 } atom: 151 15T-HG2 G2 1.278 ambi=1 { CG2:21.798 } ::sumAvg: 4.735 atom: 103 11I-HA A 3.878 ambi=1 { CA:65.504 } atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } ::sumAvg: 4 atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } atom: 103 11I-HA A 3.878 ambi=1 { CA:65.504 } ::sumAvg: 4 atom: 104 11I-HB B 2.016 ambi=1 { CB:38.514 } atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } ::sumAvg: 4.43 atom: 120 12I-HG13 G1 0.876 ambi=2 { CG1:29.61 } atom: 104 11I-HB B 2.016 ambi=1 { CB:38.514 } ::sumAvg: 3.195 atom: 104 11I-HB B 2.016 ambi=1 { CB:38.514 } atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } ::sumAvg: 4.88 atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } atom: 104 11I-HB B 2.016 ambi=1 { CB:38.514 } ::sumAvg: 3.835 atom: 104 11I-HB B 2.016 ambi=1 { CB:38.514 } atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } ::sumAvg: 4.57 atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } atom: 104 11I-HB B 2.016 ambi=1 { CB:38.514 } ::sumAvg: 4.57 atom: 104 11I-HB B 2.016 ambi=1 { CB:38.514 } atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } ::sumAvg: 4.065 atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } atom: 116 12I-H N 8.765 ambi=1 { N:123.056 } :: atom: 106 11I-HG13 G1 1.087 ambi=2 { CG1:29.844 } atom: 116 12I-H N 8.765 ambi=1 { N:123.056 } ::sumAvg: 4.365 atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } atom: 106 11I-HG13 G1 1.087 ambi=2 { CG1:29.844 } ::sumAvg: 3.885 atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } :: atom: 106 11I-HG13 G1 1.087 ambi=2 { CG1:29.844 } atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } ::sumAvg: 3.55 atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } :: atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } atom: 106 11I-HG13 G1 1.087 ambi=2 { CG1:29.844 } ::sumAvg: 3.55 atom: 499 47I-HG13 G1 1.052 ambi=2 { CG1:30.491 } atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } :: atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } atom: 106 11I-HG13 G1 1.087 ambi=2 { CG1:29.844 } ::sumAvg: 3.465 atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } atom: 500 47I-HG2 G2 0.98 ambi=1 { CG2:17.873 } ::sumAvg: 4.97 atom: 500 47I-HG2 G2 0.98 ambi=1 { CG2:17.873 } atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } ::sumAvg: 4.97 atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } atom: 501 47I-HD1 D1 0.847 ambi=1 { CD1:14.823 } ::sumAvg: 4.555 atom: 536 50A-HB B 1.239 ambi=1 { CB:19.174 } atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } ::sumAvg: 3.15 atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } atom: 546 51F-QD D 7.5955 ambi=3 { CD1:132.829 } :: atom: 106 11I-HG13 G1 1.087 ambi=2 { CG1:29.844 } atom: 546 51F-QD D 7.5955 ambi=3 { CD1:132.829 } ::sumAvg: 4.96 atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } :: atom: 106 11I-HG13 G1 1.087 ambi=2 { CG1:29.844 } atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } ::sumAvg: 3.335 atom: 105 11I-HG12 G1 1.848 ambi=2 { CG1:29.844 } atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } :: atom: 106 11I-HG13 G1 1.087 ambi=2 { CG1:29.844 } atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } ::sumAvg: 4.4 atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } ::sumAvg: 3.195 atom: 118 12I-HB B 1.841 ambi=1 { CB:37.927 } atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } ::sumAvg: 4.775 atom: 119 12I-HG12 G1 1.959 ambi=2 { CG1:29.61 } atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } ::sumAvg: 3.3 atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } ::sumAvg: 3.87 atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } ::sumAvg: 3.87 atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } ::sumAvg: 4.77 atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } ::sumAvg: 4.77 atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } atom: 452 43I-HG12 G1 1.746 ambi=2 { CG1:29.373 } ::sumAvg: 3.99 atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } ::sumAvg: 4.795 atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } atom: 489 46A-HA A 4.169 ambi=1 { CA:55.042 } ::sumAvg: 4.26 atom: 489 46A-HA A 4.169 ambi=1 { CA:55.042 } atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } ::sumAvg: 4.26 atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } ::sumAvg: 3.3 atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } ::sumAvg: 3.3 atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } ::sumAvg: 4.125 atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } ::sumAvg: 4.125 atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } ::sumAvg: 2.085 atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } atom: 546 51F-QD D 7.5955 ambi=3 { CD1:132.829 } ::sumAvg: 4.74 atom: 107 11I-HG2 G2 0.911 ambi=1 { CG2:18.172 } atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } ::sumAvg: 3.68 atom: 108 11I-HD1 D1 0.764 ambi=1 { CD1:14.4 } atom: 489 46A-HA A 4.169 ambi=1 { CA:55.042 } ::sumAvg: 4.365 atom: 489 46A-HA A 4.169 ambi=1 { CA:55.042 } atom: 108 11I-HD1 D1 0.764 ambi=1 { CD1:14.4 } ::sumAvg: 4.365 atom: 108 11I-HD1 D1 0.764 ambi=1 { CD1:14.4 } atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } ::sumAvg: 3.435 atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } atom: 108 11I-HD1 D1 0.764 ambi=1 { CD1:14.4 } ::sumAvg: 3.435 atom: 108 11I-HD1 D1 0.764 ambi=1 { CD1:14.4 } atom: 519 49K-QB B 1.7595 ambi=2 { CB:32.566 } ::sumAvg: 4.73 atom: 519 49K-QB B 1.7595 ambi=2 { CB:32.566 } atom: 108 11I-HD1 D1 0.764 ambi=1 { CD1:14.4 } ::sumAvg: 4.73 atom: 535 50A-HA A 4.015 ambi=1 { CA:54.658 } atom: 108 11I-HD1 D1 0.764 ambi=1 { CD1:14.4 } ::sumAvg: 4.33 atom: 108 11I-HD1 D1 0.764 ambi=1 { CD1:14.4 } atom: 541 51F-H N 8.62 ambi=1 { N:111.445 } ::sumAvg: 4.57 atom: 108 11I-HD1 D1 0.764 ambi=1 { CD1:14.4 } atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } ::sumAvg: 4.5 atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } atom: 116 12I-H N 8.765 ambi=1 { N:123.056 } ::sumAvg: 3.965 atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } atom: 122 12I-HD1 D1 0.757 ambi=1 { CD1:14.757 } ::sumAvg: 3.85 atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } ::sumAvg: 4.905 atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } ::sumAvg: 4.905 atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } atom: 137 14E-H N 8.28 ambi=1 { N:114.386 } ::sumAvg: 4.66 atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } ::sumAvg: 3.455 atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } atom: 151 15T-HG2 G2 1.278 ambi=1 { CG2:21.798 } ::sumAvg: 3.985 atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } atom: 157 16C-H N 8.133 ambi=1 { N:115.989 } ::sumAvg: 3.315 atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } ::sumAvg: 3.91 atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } ::sumAvg: 3.91 atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } atom: 179 18I-HD1 D1 0.774 ambi=1 { CD1:14.047 } ::sumAvg: 4.87 atom: 179 18I-HD1 D1 0.774 ambi=1 { CD1:14.047 } atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } ::sumAvg: 4.87 atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } atom: 371 35I-HD1 D1 0.774 ambi=1 { CD1:14.146 } ::sumAvg: 4.23 atom: 371 35I-HD1 D1 0.774 ambi=1 { CD1:14.146 } atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } ::sumAvg: 4.23 atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } atom: 452 43I-HG12 G1 1.746 ambi=2 { CG1:29.373 } :: atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } atom: 453 43I-HG13 G1 0.777 ambi=2 { CG1:29.373 } ::sumAvg: 2.925 atom: 452 43I-HG12 G1 1.746 ambi=2 { CG1:29.373 } atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } :: atom: 453 43I-HG13 G1 0.777 ambi=2 { CG1:29.373 } atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } ::sumAvg: 2.925 atom: 117 12I-HA A 3.391 ambi=1 { CA:67.016 } atom: 455 43I-HD1 D1 0.746 ambi=1 { CD1:15.513 } ::sumAvg: 3.26 atom: 118 12I-HB B 1.841 ambi=1 { CB:37.927 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } ::sumAvg: 4.465 atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 118 12I-HB B 1.841 ambi=1 { CB:37.927 } ::sumAvg: 4.465 atom: 118 12I-HB B 1.841 ambi=1 { CB:37.927 } atom: 175 18I-HB B 1.414 ambi=1 { CB:42.029 } ::sumAvg: 4.895 atom: 175 18I-HB B 1.414 ambi=1 { CB:42.029 } atom: 118 12I-HB B 1.841 ambi=1 { CB:37.927 } ::sumAvg: 4.895 atom: 118 12I-HB B 1.841 ambi=1 { CB:37.927 } atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } ::sumAvg: 3.85 atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } atom: 118 12I-HB B 1.841 ambi=1 { CB:37.927 } ::sumAvg: 3.85 atom: 118 12I-HB B 1.841 ambi=1 { CB:37.927 } atom: 350 33L-HD1 D1 1.026 ambi=2 { CD1:26.651 } :: atom: 118 12I-HB B 1.841 ambi=1 { CB:37.927 } atom: 351 33L-HD2 D2 0.896 ambi=2 { CD2:22.291 } ::sumAvg: 4.43 atom: 350 33L-HD1 D1 1.026 ambi=2 { CD1:26.651 } atom: 118 12I-HB B 1.841 ambi=1 { CB:37.927 } :: atom: 351 33L-HD2 D2 0.896 ambi=2 { CD2:22.291 } atom: 118 12I-HB B 1.841 ambi=1 { CB:37.927 } ::sumAvg: 4.43 atom: 118 12I-HB B 1.841 ambi=1 { CB:37.927 } atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } ::sumAvg: 4.435 atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } atom: 118 12I-HB B 1.841 ambi=1 { CB:37.927 } ::sumAvg: 4.435 atom: 871 77L-HD1 D1 1.03 ambi=2 { CD1:26.806 } atom: 118 12I-HB B 1.841 ambi=1 { CB:37.927 } :: atom: 872 77L-HD2 D2 0.874 ambi=2 { CD2:22.308 } atom: 118 12I-HB B 1.841 ambi=1 { CB:37.927 } ::sumAvg: 4.095 atom: 119 12I-HG12 G1 1.959 ambi=2 { CG1:29.61 } atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } :: atom: 120 12I-HG13 G1 0.876 ambi=2 { CG1:29.61 } atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } ::sumAvg: 4.34 atom: 119 12I-HG12 G1 1.959 ambi=2 { CG1:29.61 } atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } :: atom: 120 12I-HG13 G1 0.876 ambi=2 { CG1:29.61 } atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } ::sumAvg: 4.4 atom: 119 12I-HG12 G1 1.959 ambi=2 { CG1:29.61 } atom: 450 43I-HA A 3.534 ambi=1 { CA:65.135 } :: atom: 120 12I-HG13 G1 0.876 ambi=2 { CG1:29.61 } atom: 450 43I-HA A 3.534 ambi=1 { CA:65.135 } ::sumAvg: 4.805 atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } atom: 120 12I-HG13 G1 0.876 ambi=2 { CG1:29.61 } ::sumAvg: 4.455 atom: 119 12I-HG12 G1 1.959 ambi=2 { CG1:29.61 } atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } ::sumAvg: 2.055 atom: 119 12I-HG12 G1 1.959 ambi=2 { CG1:29.61 } atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } :: atom: 119 12I-HG12 G1 1.959 ambi=2 { CG1:29.61 } atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } :: atom: 120 12I-HG13 G1 0.876 ambi=2 { CG1:29.61 } atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } ::sumAvg: 3.805 atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } ::sumAvg: 3.585 atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } ::sumAvg: 3.585 atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 132 13A-HB B 1.56 ambi=1 { CB:18.461 } ::sumAvg: 4.225 atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } ::sumAvg: 4.79 atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } ::sumAvg: 4.79 atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 151 15T-HG2 G2 1.278 ambi=1 { CG2:21.798 } ::sumAvg: 4.95 atom: 151 15T-HG2 G2 1.278 ambi=1 { CG2:21.798 } atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } ::sumAvg: 4.95 atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 157 16C-H N 8.133 ambi=1 { N:115.989 } ::sumAvg: 3.775 atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } :: atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } ::sumAvg: 2.925 atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } :: atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } ::sumAvg: 2.925 atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 173 18I-H N 7.419 ambi=1 { N:119.093 } ::sumAvg: 4.445 atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 175 18I-HB B 1.414 ambi=1 { CB:42.029 } ::sumAvg: 2.995 atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 176 18I-HG12 G1 1.387 ambi=2 { CG1:27.363 } ::sumAvg: 3.66 atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 244 23I-HG12 G1 1.894 ambi=2 { CG1:27.529 } ::sumAvg: 3.515 atom: 244 23I-HG12 G1 1.894 ambi=2 { CG1:27.529 } atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } ::sumAvg: 3.515 atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } ::sumAvg: 4.575 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } ::sumAvg: 4.575 atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } ::sumAvg: 4.2 atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 347 33L-HB2 B 1.572 ambi=2 { CB:41.159 } :: atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 348 33L-HB3 B 2.493 ambi=2 { CB:41.159 } ::sumAvg: 4.165 atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } ::sumAvg: 4.97 atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } ::sumAvg: 4.085 atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } ::sumAvg: 4.085 atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } ::sumAvg: 4.695 atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } atom: 452 43I-HG12 G1 1.746 ambi=2 { CG1:29.373 } ::sumAvg: 3.725 atom: 452 43I-HG12 G1 1.746 ambi=2 { CG1:29.373 } atom: 121 12I-HG2 G2 0.837 ambi=1 { CG2:17.986 } ::sumAvg: 3.725 atom: 122 12I-HD1 D1 0.757 ambi=1 { CD1:14.757 } atom: 244 23I-HG12 G1 1.894 ambi=2 { CG1:27.529 } ::sumAvg: 4.895 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 122 12I-HD1 D1 0.757 ambi=1 { CD1:14.757 } ::sumAvg: 4.51 atom: 122 12I-HD1 D1 0.757 ambi=1 { CD1:14.757 } atom: 452 43I-HG12 G1 1.746 ambi=2 { CG1:29.373 } ::sumAvg: 4.86 atom: 122 12I-HD1 D1 0.757 ambi=1 { CD1:14.757 } atom: 867 77L-HA A 4.036 ambi=1 { CA:59.047 } ::sumAvg: 3.82 atom: 867 77L-HA A 4.036 ambi=1 { CA:59.047 } atom: 122 12I-HD1 D1 0.757 ambi=1 { CD1:14.757 } ::sumAvg: 3.82 atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } atom: 122 12I-HD1 D1 0.757 ambi=1 { CD1:14.757 } ::sumAvg: 4.26 atom: 910 80L-HB2 B 1.96 ambi=2 { CB:40.812 } atom: 122 12I-HD1 D1 0.757 ambi=1 { CD1:14.757 } :: atom: 911 80L-HB3 B 1.585 ambi=2 { CB:40.812 } atom: 122 12I-HD1 D1 0.757 ambi=1 { CD1:14.757 } ::sumAvg: 4.37 atom: 122 12I-HD1 D1 0.757 ambi=1 { CD1:14.757 } atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } ::sumAvg: 4.285 atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } atom: 122 12I-HD1 D1 0.757 ambi=1 { CD1:14.757 } ::sumAvg: 4.285 atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } ::sumAvg: 2.79 atom: 141 14E-HG2 G 2.527 ambi=2 { CG:36.504 } atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } :: atom: 142 14E-HG3 G 2.327 ambi=2 { CG:36.504 } atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } ::sumAvg: 4.42 atom: 175 18I-HB B 1.414 ambi=1 { CB:42.029 } atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } ::sumAvg: 4.76 atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } atom: 130 13A-H N 8.446 ambi=1 { N:122.544 } ::sumAvg: 4.69 atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 132 13A-HB B 1.56 ambi=1 { CB:18.461 } ::sumAvg: 2.14 atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 137 14E-H N 8.28 ambi=1 { N:114.386 } ::sumAvg: 3.57 atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 138 14E-HA A 4.196 ambi=1 { CA:58.343 } ::sumAvg: 4.735 atom: 138 14E-HA A 4.196 ambi=1 { CA:58.343 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } ::sumAvg: 4.735 atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 148 15T-H N 8.405 ambi=1 { N:115.39 } ::sumAvg: 4.845 atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 157 16C-H N 8.133 ambi=1 { N:115.989 } ::sumAvg: 4.62 atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } :: atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } ::sumAvg: 4.645 atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } :: atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } ::sumAvg: 4.645 atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 165 17D-H N 7.724 ambi=1 { N:119.842 } ::sumAvg: 4.41 atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 173 18I-H N 7.419 ambi=1 { N:119.093 } ::sumAvg: 2.695 atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 175 18I-HB B 1.414 ambi=1 { CB:42.029 } ::sumAvg: 2.655 atom: 175 18I-HB B 1.414 ambi=1 { CB:42.029 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } ::sumAvg: 2.655 atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 176 18I-HG12 G1 1.387 ambi=2 { CG1:27.363 } :: atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 177 18I-HG13 G1 1.022 ambi=2 { CG1:27.363 } ::sumAvg: 4.395 atom: 176 18I-HG12 G1 1.387 ambi=2 { CG1:27.363 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } :: atom: 177 18I-HG13 G1 1.022 ambi=2 { CG1:27.363 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } ::sumAvg: 4.395 atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 178 18I-HG2 G2 0.837 ambi=1 { CG2:17.078 } ::sumAvg: 3.86 atom: 178 18I-HG2 G2 0.837 ambi=1 { CG2:17.078 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } ::sumAvg: 3.86 atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 179 18I-HD1 D1 0.774 ambi=1 { CD1:14.047 } ::sumAvg: 4.435 atom: 179 18I-HD1 D1 0.774 ambi=1 { CD1:14.047 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } ::sumAvg: 4.435 atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 200 20R-HA A 3.853 ambi=1 { CA:58.789 } ::sumAvg: 4.815 atom: 200 20R-HA A 3.853 ambi=1 { CA:58.789 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } ::sumAvg: 4.815 atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 244 23I-HG12 G1 1.894 ambi=2 { CG1:27.529 } :: atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 245 23I-HG13 G1 0.72 ambi=2 { CG1:27.529 } ::sumAvg: 4.625 atom: 244 23I-HG12 G1 1.894 ambi=2 { CG1:27.529 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } :: atom: 245 23I-HG13 G1 0.72 ambi=2 { CG1:27.529 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } ::sumAvg: 4.625 atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } atom: 247 23I-HD1 D1 0.849 ambi=1 { CD1:14.979 } ::sumAvg: 2.425 atom: 247 23I-HD1 D1 0.849 ambi=1 { CD1:14.979 } atom: 131 13A-HA A 4.728 ambi=1 { CA:55.998 } ::sumAvg: 2.425 atom: 132 13A-HB B 1.56 ambi=1 { CB:18.461 } atom: 166 17D-HA A 4.408 ambi=1 { CA:55.207 } ::sumAvg: 4.915 atom: 166 17D-HA A 4.408 ambi=1 { CA:55.207 } atom: 132 13A-HB B 1.56 ambi=1 { CB:18.461 } ::sumAvg: 4.915 atom: 132 13A-HB B 1.56 ambi=1 { CB:18.461 } atom: 187 19P-HA A 4.357 ambi=1 { CA:63.11 } ::sumAvg: 4.225 atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } atom: 132 13A-HB B 1.56 ambi=1 { CB:18.461 } ::sumAvg: 4.49 atom: 132 13A-HB B 1.56 ambi=1 { CB:18.461 } atom: 245 23I-HG13 G1 0.72 ambi=2 { CG1:27.529 } ::sumAvg: 4.165 atom: 245 23I-HG13 G1 0.72 ambi=2 { CG1:27.529 } atom: 132 13A-HB B 1.56 ambi=1 { CB:18.461 } ::sumAvg: 4.165 atom: 132 13A-HB B 1.56 ambi=1 { CB:18.461 } atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } ::sumAvg: 4.16 atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } atom: 132 13A-HB B 1.56 ambi=1 { CB:18.461 } ::sumAvg: 4.16 atom: 138 14E-HA A 4.196 ambi=1 { CA:58.343 } atom: 148 15T-H N 8.405 ambi=1 { N:115.39 } ::sumAvg: 3.54 atom: 149 15T-HA A 4.075 ambi=1 { CA:66.412 } atom: 139 14E-HB2 B 2.134 ambi=2 { CB:29.974 } :: atom: 149 15T-HA A 4.075 ambi=1 { CA:66.412 } atom: 140 14E-HB3 B 2.034 ambi=2 { CB:29.974 } ::sumAvg: 4.34 atom: 141 14E-HG2 G 2.527 ambi=2 { CG:36.504 } atom: 148 15T-H N 8.405 ambi=1 { N:115.39 } :: atom: 142 14E-HG3 G 2.327 ambi=2 { CG:36.504 } atom: 148 15T-H N 8.405 ambi=1 { N:115.39 } ::sumAvg: 3.615 atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } atom: 148 15T-H N 8.405 ambi=1 { N:115.39 } :: atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } atom: 148 15T-H N 8.405 ambi=1 { N:115.39 } ::sumAvg: 4.945 atom: 149 15T-HA A 4.075 ambi=1 { CA:66.412 } atom: 157 16C-H N 8.133 ambi=1 { N:115.989 } ::sumAvg: 3.58 atom: 149 15T-HA A 4.075 ambi=1 { CA:66.412 } atom: 158 16C-HA A 4.565 ambi=1 { CA:59.149 } ::sumAvg: 4.69 atom: 158 16C-HA A 4.565 ambi=1 { CA:59.149 } atom: 149 15T-HA A 4.075 ambi=1 { CA:66.412 } ::sumAvg: 4.69 atom: 149 15T-HA A 4.075 ambi=1 { CA:66.412 } atom: 165 17D-H N 7.724 ambi=1 { N:119.842 } ::sumAvg: 4.155 atom: 149 15T-HA A 4.075 ambi=1 { CA:66.412 } atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } ::sumAvg: 4.905 atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } atom: 149 15T-HA A 4.075 ambi=1 { CA:66.412 } ::sumAvg: 4.905 atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } atom: 158 16C-HA A 4.565 ambi=1 { CA:59.149 } ::sumAvg: 4.3 atom: 158 16C-HA A 4.565 ambi=1 { CA:59.149 } atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } ::sumAvg: 4.3 atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } :: atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } ::sumAvg: 4.21 atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } :: atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } ::sumAvg: 4.21 atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } atom: 165 17D-H N 7.724 ambi=1 { N:119.842 } ::sumAvg: 4.795 atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } atom: 443 42D-HB2 B 2.873 ambi=2 { CB:40.204 } :: atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } atom: 444 42D-HB3 B 2.622 ambi=2 { CB:40.204 } ::sumAvg: 4.035 atom: 443 42D-HB2 B 2.873 ambi=2 { CB:40.204 } atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } :: atom: 444 42D-HB3 B 2.622 ambi=2 { CB:40.204 } atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } ::sumAvg: 4.035 atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } atom: 450 43I-HA A 3.534 ambi=1 { CA:65.135 } ::sumAvg: 3.56 atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } ::sumAvg: 4.03 atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } ::sumAvg: 4.03 atom: 455 43I-HD1 D1 0.746 ambi=1 { CD1:15.513 } atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } ::sumAvg: 3.92 atom: 150 15T-HB B 4.136 ambi=1 { CB:69.462 } atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } ::sumAvg: 4.51 atom: 158 16C-HA A 4.565 ambi=1 { CA:59.149 } atom: 151 15T-HG2 G2 1.278 ambi=1 { CG2:21.798 } ::sumAvg: 4.245 atom: 151 15T-HG2 G2 1.278 ambi=1 { CG2:21.798 } atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } :: atom: 151 15T-HG2 G2 1.278 ambi=1 { CG2:21.798 } atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } ::sumAvg: 4.405 atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } atom: 151 15T-HG2 G2 1.278 ambi=1 { CG2:21.798 } :: atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } atom: 151 15T-HG2 G2 1.278 ambi=1 { CG2:21.798 } ::sumAvg: 4.405 atom: 151 15T-HG2 G2 1.278 ambi=1 { CG2:21.798 } atom: 165 17D-H N 7.724 ambi=1 { N:119.842 } ::sumAvg: 4.97 atom: 151 15T-HG2 G2 1.278 ambi=1 { CG2:21.798 } atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } ::sumAvg: 4.445 atom: 151 15T-HG2 G2 1.278 ambi=1 { CG2:21.798 } atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } ::sumAvg: 3.95 atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } atom: 151 15T-HG2 G2 1.278 ambi=1 { CG2:21.798 } ::sumAvg: 3.95 atom: 166 17D-HA A 4.408 ambi=1 { CA:55.207 } atom: 157 16C-H N 8.133 ambi=1 { N:115.989 } ::sumAvg: 4.705 atom: 176 18I-HG12 G1 1.387 ambi=2 { CG1:27.363 } atom: 157 16C-H N 8.133 ambi=1 { N:115.989 } :: atom: 177 18I-HG13 G1 1.022 ambi=2 { CG1:27.363 } atom: 157 16C-H N 8.133 ambi=1 { N:115.989 } ::sumAvg: 4.295 atom: 452 43I-HG12 G1 1.746 ambi=2 { CG1:29.373 } atom: 157 16C-H N 8.133 ambi=1 { N:115.989 } :: atom: 453 43I-HG13 G1 0.777 ambi=2 { CG1:29.373 } atom: 157 16C-H N 8.133 ambi=1 { N:115.989 } ::sumAvg: 3.84 atom: 167 17D-HB2 B 3.062 ambi=2 { CB:38.79 } atom: 158 16C-HA A 4.565 ambi=1 { CA:59.149 } :: atom: 168 17D-HB3 B 2.56 ambi=2 { CB:38.79 } atom: 158 16C-HA A 4.565 ambi=1 { CA:59.149 } ::sumAvg: 4.435 atom: 158 16C-HA A 4.565 ambi=1 { CA:59.149 } atom: 176 18I-HG12 G1 1.387 ambi=2 { CG1:27.363 } :: atom: 158 16C-HA A 4.565 ambi=1 { CA:59.149 } atom: 177 18I-HG13 G1 1.022 ambi=2 { CG1:27.363 } ::sumAvg: 4.42 atom: 158 16C-HA A 4.565 ambi=1 { CA:59.149 } atom: 179 18I-HD1 D1 0.774 ambi=1 { CD1:14.047 } ::sumAvg: 4.74 atom: 158 16C-HA A 4.565 ambi=1 { CA:59.149 } atom: 455 43I-HD1 D1 0.746 ambi=1 { CD1:15.513 } ::sumAvg: 4.565 atom: 455 43I-HD1 D1 0.746 ambi=1 { CD1:15.513 } atom: 158 16C-HA A 4.565 ambi=1 { CA:59.149 } ::sumAvg: 4.565 atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } atom: 165 17D-H N 7.724 ambi=1 { N:119.842 } :: atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } atom: 165 17D-H N 7.724 ambi=1 { N:119.842 } ::sumAvg: 3.635 atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } atom: 173 18I-H N 7.419 ambi=1 { N:119.093 } :: atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } atom: 173 18I-H N 7.419 ambi=1 { N:119.093 } ::sumAvg: 3.505 atom: 175 18I-HB B 1.414 ambi=1 { CB:42.029 } atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } :: atom: 175 18I-HB B 1.414 ambi=1 { CB:42.029 } atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } ::sumAvg: 3.605 atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } atom: 178 18I-HG2 G2 0.837 ambi=1 { CG2:17.078 } :: atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } atom: 178 18I-HG2 G2 0.837 ambi=1 { CG2:17.078 } ::sumAvg: 4.635 atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } atom: 368 35I-HG12 G1 1.084 ambi=2 { CG1:27.864 } :: atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } :: atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } atom: 368 35I-HG12 G1 1.084 ambi=2 { CG1:27.864 } :: atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } ::sumAvg: 3.55 atom: 368 35I-HG12 G1 1.084 ambi=2 { CG1:27.864 } atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } :: atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } :: atom: 368 35I-HG12 G1 1.084 ambi=2 { CG1:27.864 } atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } :: atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } ::sumAvg: 3.55 atom: 452 43I-HG12 G1 1.746 ambi=2 { CG1:29.373 } atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } :: atom: 453 43I-HG13 G1 0.777 ambi=2 { CG1:29.373 } atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } :: atom: 452 43I-HG12 G1 1.746 ambi=2 { CG1:29.373 } atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } :: atom: 453 43I-HG13 G1 0.777 ambi=2 { CG1:29.373 } atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } ::sumAvg: 4.005 atom: 455 43I-HD1 D1 0.746 ambi=1 { CD1:15.513 } atom: 159 16C-HB2 B 3.292 ambi=2 { CB:29.571 } :: atom: 455 43I-HD1 D1 0.746 ambi=1 { CD1:15.513 } atom: 160 16C-HB3 B 2.534 ambi=2 { CB:29.571 } ::sumAvg: 3.05 atom: 176 18I-HG12 G1 1.387 ambi=2 { CG1:27.363 } atom: 165 17D-H N 7.724 ambi=1 { N:119.842 } :: atom: 177 18I-HG13 G1 1.022 ambi=2 { CG1:27.363 } atom: 165 17D-H N 7.724 ambi=1 { N:119.842 } ::sumAvg: 4.23 atom: 166 17D-HA A 4.408 ambi=1 { CA:55.207 } atom: 176 18I-HG12 G1 1.387 ambi=2 { CG1:27.363 } :: atom: 166 17D-HA A 4.408 ambi=1 { CA:55.207 } atom: 177 18I-HG13 G1 1.022 ambi=2 { CG1:27.363 } ::sumAvg: 4.755 atom: 176 18I-HG12 G1 1.387 ambi=2 { CG1:27.363 } atom: 166 17D-HA A 4.408 ambi=1 { CA:55.207 } :: atom: 177 18I-HG13 G1 1.022 ambi=2 { CG1:27.363 } atom: 166 17D-HA A 4.408 ambi=1 { CA:55.207 } ::sumAvg: 4.755 atom: 167 17D-HB2 B 3.062 ambi=2 { CB:38.79 } atom: 173 18I-H N 7.419 ambi=1 { N:119.093 } :: atom: 168 17D-HB3 B 2.56 ambi=2 { CB:38.79 } atom: 173 18I-H N 7.419 ambi=1 { N:119.093 } ::sumAvg: 4.28 atom: 167 17D-HB2 B 3.062 ambi=2 { CB:38.79 } atom: 174 18I-HA A 4.578 ambi=1 { CA:57.659 } :: atom: 168 17D-HB3 B 2.56 ambi=2 { CB:38.79 } atom: 174 18I-HA A 4.578 ambi=1 { CA:57.659 } ::sumAvg: 4.885 atom: 174 18I-HA A 4.578 ambi=1 { CA:57.659 } atom: 167 17D-HB2 B 3.062 ambi=2 { CB:38.79 } :: atom: 174 18I-HA A 4.578 ambi=1 { CA:57.659 } atom: 168 17D-HB3 B 2.56 ambi=2 { CB:38.79 } ::sumAvg: 4.885 atom: 167 17D-HB2 B 3.062 ambi=2 { CB:38.79 } atom: 176 18I-HG12 G1 1.387 ambi=2 { CG1:27.363 } :: atom: 167 17D-HB2 B 3.062 ambi=2 { CB:38.79 } atom: 177 18I-HG13 G1 1.022 ambi=2 { CG1:27.363 } :: atom: 168 17D-HB3 B 2.56 ambi=2 { CB:38.79 } atom: 176 18I-HG12 G1 1.387 ambi=2 { CG1:27.363 } :: atom: 168 17D-HB3 B 2.56 ambi=2 { CB:38.79 } atom: 177 18I-HG13 G1 1.022 ambi=2 { CG1:27.363 } ::sumAvg: 4.705 atom: 192 19P-HD2 D 3.974 ambi=2 { CD:51.266 } atom: 173 18I-H N 7.419 ambi=1 { N:119.093 } :: atom: 193 19P-HD3 D 3.561 ambi=2 { CD:51.266 } atom: 173 18I-H N 7.419 ambi=1 { N:119.093 } ::sumAvg: 4.61 atom: 174 18I-HA A 4.578 ambi=1 { CA:57.659 } atom: 179 18I-HD1 D1 0.774 ambi=1 { CD1:14.047 } ::sumAvg: 3.875 atom: 247 23I-HD1 D1 0.849 ambi=1 { CD1:14.979 } atom: 174 18I-HA A 4.578 ambi=1 { CA:57.659 } ::sumAvg: 4.78 atom: 175 18I-HB B 1.414 ambi=1 { CB:42.029 } atom: 192 19P-HD2 D 3.974 ambi=2 { CD:51.266 } :: atom: 175 18I-HB B 1.414 ambi=1 { CB:42.029 } atom: 193 19P-HD3 D 3.561 ambi=2 { CD:51.266 } ::sumAvg: 4.555 atom: 175 18I-HB B 1.414 ambi=1 { CB:42.029 } atom: 244 23I-HG12 G1 1.894 ambi=2 { CG1:27.529 } :: atom: 175 18I-HB B 1.414 ambi=1 { CB:42.029 } atom: 245 23I-HG13 G1 0.72 ambi=2 { CG1:27.529 } ::sumAvg: 3.605 atom: 244 23I-HG12 G1 1.894 ambi=2 { CG1:27.529 } atom: 175 18I-HB B 1.414 ambi=1 { CB:42.029 } :: atom: 245 23I-HG13 G1 0.72 ambi=2 { CG1:27.529 } atom: 175 18I-HB B 1.414 ambi=1 { CB:42.029 } ::sumAvg: 3.605 atom: 175 18I-HB B 1.414 ambi=1 { CB:42.029 } atom: 351 33L-HD2 D2 0.896 ambi=2 { CD2:22.291 } ::sumAvg: 4.23 atom: 351 33L-HD2 D2 0.896 ambi=2 { CD2:22.291 } atom: 175 18I-HB B 1.414 ambi=1 { CB:42.029 } ::sumAvg: 4.23 atom: 176 18I-HG12 G1 1.387 ambi=2 { CG1:27.363 } atom: 192 19P-HD2 D 3.974 ambi=2 { CD:51.266 } :: atom: 176 18I-HG12 G1 1.387 ambi=2 { CG1:27.363 } atom: 193 19P-HD3 D 3.561 ambi=2 { CD:51.266 } :: atom: 177 18I-HG13 G1 1.022 ambi=2 { CG1:27.363 } atom: 192 19P-HD2 D 3.974 ambi=2 { CD:51.266 } :: atom: 177 18I-HG13 G1 1.022 ambi=2 { CG1:27.363 } atom: 193 19P-HD3 D 3.561 ambi=2 { CD:51.266 } ::sumAvg: 4.135 atom: 176 18I-HG12 G1 1.387 ambi=2 { CG1:27.363 } atom: 247 23I-HD1 D1 0.849 ambi=1 { CD1:14.979 } ::sumAvg: 4.66 atom: 176 18I-HG12 G1 1.387 ambi=2 { CG1:27.363 } atom: 351 33L-HD2 D2 0.896 ambi=2 { CD2:22.291 } ::sumAvg: 4.08 atom: 351 33L-HD2 D2 0.896 ambi=2 { CD2:22.291 } atom: 176 18I-HG12 G1 1.387 ambi=2 { CG1:27.363 } ::sumAvg: 4.08 atom: 177 18I-HG13 G1 1.022 ambi=2 { CG1:27.363 } atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } ::sumAvg: 4.91 atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } atom: 177 18I-HG13 G1 1.022 ambi=2 { CG1:27.363 } ::sumAvg: 4.91 atom: 178 18I-HG2 G2 0.837 ambi=1 { CG2:17.078 } atom: 187 19P-HA A 4.357 ambi=1 { CA:63.11 } ::sumAvg: 4.275 atom: 188 19P-HB2 B 2.465 ambi=2 { CB:32.102 } atom: 178 18I-HG2 G2 0.837 ambi=1 { CG2:17.078 } :: atom: 189 19P-HB3 B 1.937 ambi=2 { CB:32.102 } atom: 178 18I-HG2 G2 0.837 ambi=1 { CG2:17.078 } ::sumAvg: 4.29 atom: 190 19P-HG2 G 2.165 ambi=2 { CG:27.986 } atom: 178 18I-HG2 G2 0.837 ambi=1 { CG2:17.078 } :: atom: 191 19P-HG3 G 1.999 ambi=2 { CG:27.986 } atom: 178 18I-HG2 G2 0.837 ambi=1 { CG2:17.078 } ::sumAvg: 3.78 atom: 178 18I-HG2 G2 0.837 ambi=1 { CG2:17.078 } atom: 199 20R-H N 9.176 ambi=1 { N:129.222 } ::sumAvg: 4.775 atom: 242 23I-HA A 4.003 ambi=1 { CA:62.568 } atom: 178 18I-HG2 G2 0.837 ambi=1 { CG2:17.078 } ::sumAvg: 3.805 atom: 244 23I-HG12 G1 1.894 ambi=2 { CG1:27.529 } atom: 178 18I-HG2 G2 0.837 ambi=1 { CG2:17.078 } ::sumAvg: 2.23 atom: 178 18I-HG2 G2 0.837 ambi=1 { CG2:17.078 } atom: 346 33L-HA A 4.465 ambi=1 { CA:54.928 } ::sumAvg: 4.375 atom: 192 19P-HD2 D 3.974 ambi=2 { CD:51.266 } atom: 179 18I-HD1 D1 0.774 ambi=1 { CD1:14.047 } :: atom: 193 19P-HD3 D 3.561 ambi=2 { CD:51.266 } atom: 179 18I-HD1 D1 0.774 ambi=1 { CD1:14.047 } ::sumAvg: 4.95 atom: 179 18I-HD1 D1 0.774 ambi=1 { CD1:14.047 } atom: 244 23I-HG12 G1 1.894 ambi=2 { CG1:27.529 } ::sumAvg: 3.735 atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } atom: 179 18I-HD1 D1 0.774 ambi=1 { CD1:14.047 } ::sumAvg: 4.19 atom: 187 19P-HA A 4.357 ambi=1 { CA:63.11 } atom: 193 19P-HD3 D 3.561 ambi=2 { CD:51.266 } ::sumAvg: 3.53 atom: 187 19P-HA A 4.357 ambi=1 { CA:63.11 } atom: 200 20R-HA A 3.853 ambi=1 { CA:58.789 } ::sumAvg: 4.415 atom: 187 19P-HA A 4.357 ambi=1 { CA:63.11 } atom: 201 20R-HB2 B 1.852 ambi=2 { CB:29.515 } :: atom: 187 19P-HA A 4.357 ambi=1 { CA:63.11 } atom: 202 20R-HB3 B 1.87 ambi=2 { CB:29.515 } ::sumAvg: 4.425 atom: 187 19P-HA A 4.357 ambi=1 { CA:63.11 } atom: 221 21E-H N 9.833 ambi=1 { N:117.285 } ::sumAvg: 3.855 atom: 187 19P-HA A 4.357 ambi=1 { CA:63.11 } atom: 225 21E-HG2 G 2.353 ambi=2 { CG:36.171 } :: atom: 187 19P-HA A 4.357 ambi=1 { CA:63.11 } atom: 226 21E-HG3 G 2.264 ambi=2 { CG:36.171 } ::sumAvg: 4.04 atom: 225 21E-HG2 G 2.353 ambi=2 { CG:36.171 } atom: 187 19P-HA A 4.357 ambi=1 { CA:63.11 } :: atom: 226 21E-HG3 G 2.264 ambi=2 { CG:36.171 } atom: 187 19P-HA A 4.357 ambi=1 { CA:63.11 } ::sumAvg: 4.04 atom: 187 19P-HA A 4.357 ambi=1 { CA:63.11 } atom: 232 22T-H N 7.784 ambi=1 { N:110.084 } ::sumAvg: 4.675 atom: 247 23I-HD1 D1 0.849 ambi=1 { CD1:14.979 } atom: 187 19P-HA A 4.357 ambi=1 { CA:63.11 } ::sumAvg: 4.69 atom: 188 19P-HB2 B 2.465 ambi=2 { CB:32.102 } atom: 221 21E-H N 9.833 ambi=1 { N:117.285 } :: atom: 189 19P-HB3 B 1.937 ambi=2 { CB:32.102 } atom: 221 21E-H N 9.833 ambi=1 { N:117.285 } ::sumAvg: 3.205 atom: 189 19P-HB3 B 1.937 ambi=2 { CB:32.102 } atom: 225 21E-HG2 G 2.353 ambi=2 { CG:36.171 } ::sumAvg: 2.44 atom: 188 19P-HB2 B 2.465 ambi=2 { CB:32.102 } atom: 232 22T-H N 7.784 ambi=1 { N:110.084 } :: atom: 189 19P-HB3 B 1.937 ambi=2 { CB:32.102 } atom: 232 22T-H N 7.784 ambi=1 { N:110.084 } ::sumAvg: 2.87 atom: 188 19P-HB2 B 2.465 ambi=2 { CB:32.102 } atom: 241 23I-H N 7.598 ambi=1 { N:122.567 } :: atom: 189 19P-HB3 B 1.937 ambi=2 { CB:32.102 } atom: 241 23I-H N 7.598 ambi=1 { N:122.567 } ::sumAvg: 4.915 atom: 190 19P-HG2 G 2.165 ambi=2 { CG:27.986 } atom: 232 22T-H N 7.784 ambi=1 { N:110.084 } :: atom: 191 19P-HG3 G 1.999 ambi=2 { CG:27.986 } atom: 232 22T-H N 7.784 ambi=1 { N:110.084 } ::sumAvg: 4 atom: 234 22T-HB B 4.344 ambi=1 { CB:69.989 } atom: 190 19P-HG2 G 2.165 ambi=2 { CG:27.986 } :: atom: 234 22T-HB B 4.344 ambi=1 { CB:69.989 } atom: 191 19P-HG3 G 1.999 ambi=2 { CG:27.986 } ::sumAvg: 4.72 atom: 205 20R-HD2 D 3.203 ambi=2 { CD:42.308 } atom: 199 20R-H N 9.176 ambi=1 { N:129.222 } :: atom: 206 20R-HD3 D 2.952 ambi=2 { CD:42.308 } atom: 199 20R-H N 9.176 ambi=1 { N:129.222 } ::sumAvg: 4.285 atom: 224 21E-QB B 2.098 ambi=2 { CB:28.191 } atom: 199 20R-H N 9.176 ambi=1 { N:129.222 } ::sumAvg: 4.795 atom: 225 21E-HG2 G 2.353 ambi=2 { CG:36.171 } atom: 199 20R-H N 9.176 ambi=1 { N:129.222 } :: atom: 226 21E-HG3 G 2.264 ambi=2 { CG:36.171 } atom: 199 20R-H N 9.176 ambi=1 { N:129.222 } ::sumAvg: 3.93 atom: 244 23I-HG12 G1 1.894 ambi=2 { CG1:27.529 } atom: 199 20R-H N 9.176 ambi=1 { N:129.222 } :: atom: 245 23I-HG13 G1 0.72 ambi=2 { CG1:27.529 } atom: 199 20R-H N 9.176 ambi=1 { N:129.222 } ::sumAvg: 4.605 atom: 200 20R-HA A 3.853 ambi=1 { CA:58.789 } atom: 207 20R-HE E 7.419 ambi=1 { NE:84.58 } ::sumAvg: 3.915 atom: 222 21E-HA A 4.297 ambi=1 { CA:58.586 } atom: 200 20R-HA A 3.853 ambi=1 { CA:58.789 } ::sumAvg: 4.88 atom: 200 20R-HA A 3.853 ambi=1 { CA:58.789 } atom: 232 22T-H N 7.784 ambi=1 { N:110.084 } ::sumAvg: 3.96 atom: 200 20R-HA A 3.853 ambi=1 { CA:58.789 } atom: 241 23I-H N 7.598 ambi=1 { N:122.567 } ::sumAvg: 3.255 atom: 200 20R-HA A 3.853 ambi=1 { CA:58.789 } atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } ::sumAvg: 3.88 atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } atom: 200 20R-HA A 3.853 ambi=1 { CA:58.789 } ::sumAvg: 3.88 atom: 222 21E-HA A 4.297 ambi=1 { CA:58.586 } atom: 201 20R-HB2 B 1.852 ambi=2 { CB:29.515 } :: atom: 222 21E-HA A 4.297 ambi=1 { CA:58.586 } atom: 202 20R-HB3 B 1.87 ambi=2 { CB:29.515 } ::sumAvg: 4.285 atom: 201 20R-HB2 B 1.852 ambi=2 { CB:29.515 } atom: 225 21E-HG2 G 2.353 ambi=2 { CG:36.171 } :: atom: 201 20R-HB2 B 1.852 ambi=2 { CB:29.515 } atom: 226 21E-HG3 G 2.264 ambi=2 { CG:36.171 } :: atom: 202 20R-HB3 B 1.87 ambi=2 { CB:29.515 } atom: 225 21E-HG2 G 2.353 ambi=2 { CG:36.171 } ::sumAvg: 4.715 atom: 225 21E-HG2 G 2.353 ambi=2 { CG:36.171 } atom: 201 20R-HB2 B 1.852 ambi=2 { CB:29.515 } :: atom: 226 21E-HG3 G 2.264 ambi=2 { CG:36.171 } atom: 201 20R-HB2 B 1.852 ambi=2 { CB:29.515 } :: atom: 225 21E-HG2 G 2.353 ambi=2 { CG:36.171 } atom: 202 20R-HB3 B 1.87 ambi=2 { CB:29.515 } ::sumAvg: 4.715 atom: 201 20R-HB2 B 1.852 ambi=2 { CB:29.515 } atom: 247 23I-HD1 D1 0.849 ambi=1 { CD1:14.979 } :: atom: 202 20R-HB3 B 1.87 ambi=2 { CB:29.515 } atom: 247 23I-HD1 D1 0.849 ambi=1 { CD1:14.979 } ::sumAvg: 3.855 atom: 203 20R-HG2 G 1.817 ambi=2 { CG:27.379 } atom: 221 21E-H N 9.833 ambi=1 { N:117.285 } :: atom: 204 20R-HG3 G 1.497 ambi=2 { CG:27.379 } atom: 221 21E-H N 9.833 ambi=1 { N:117.285 } ::sumAvg: 4.425 atom: 204 20R-HG3 G 1.497 ambi=2 { CG:27.379 } atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } ::sumAvg: 4.59 atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } atom: 204 20R-HG3 G 1.497 ambi=2 { CG:27.379 } ::sumAvg: 4.59 atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } atom: 203 20R-HG2 G 1.817 ambi=2 { CG:27.379 } :: atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } atom: 204 20R-HG3 G 1.497 ambi=2 { CG:27.379 } ::sumAvg: 4.99 atom: 247 23I-HD1 D1 0.849 ambi=1 { CD1:14.979 } atom: 203 20R-HG2 G 1.817 ambi=2 { CG:27.379 } :: atom: 247 23I-HD1 D1 0.849 ambi=1 { CD1:14.979 } atom: 204 20R-HG3 G 1.497 ambi=2 { CG:27.379 } ::sumAvg: 3.335 atom: 205 20R-HD2 D 3.203 ambi=2 { CD:42.308 } atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } :: atom: 206 20R-HD3 D 2.952 ambi=2 { CD:42.308 } atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } ::sumAvg: 3.36 atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } atom: 205 20R-HD2 D 3.203 ambi=2 { CD:42.308 } :: atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } atom: 206 20R-HD3 D 2.952 ambi=2 { CD:42.308 } ::sumAvg: 3.36 atom: 205 20R-HD2 D 3.203 ambi=2 { CD:42.308 } atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } :: atom: 206 20R-HD3 D 2.952 ambi=2 { CD:42.308 } atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } ::sumAvg: 3.735 atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } atom: 205 20R-HD2 D 3.203 ambi=2 { CD:42.308 } :: atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } atom: 206 20R-HD3 D 2.952 ambi=2 { CD:42.308 } ::sumAvg: 3.735 atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } atom: 207 20R-HE E 7.419 ambi=1 { NE:84.58 } ::sumAvg: 4.88 atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } atom: 207 20R-HE E 7.419 ambi=1 { NE:84.58 } ::sumAvg: 4.67 atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } atom: 221 21E-H N 9.833 ambi=1 { N:117.285 } ::sumAvg: 4.98 atom: 222 21E-HA A 4.297 ambi=1 { CA:58.586 } atom: 235 22T-HG2 G2 1.26 ambi=1 { CG2:22.301 } ::sumAvg: 4.815 atom: 233 22T-HA A 4.332 ambi=1 { CA:62.31 } atom: 224 21E-QB B 2.098 ambi=2 { CB:28.191 } ::sumAvg: 4.525 atom: 233 22T-HA A 4.332 ambi=1 { CA:62.31 } atom: 225 21E-HG2 G 2.353 ambi=2 { CG:36.171 } :: atom: 233 22T-HA A 4.332 ambi=1 { CA:62.31 } atom: 226 21E-HG3 G 2.264 ambi=2 { CG:36.171 } ::sumAvg: 3.87 atom: 234 22T-HB B 4.344 ambi=1 { CB:69.989 } atom: 225 21E-HG2 G 2.353 ambi=2 { CG:36.171 } :: atom: 234 22T-HB B 4.344 ambi=1 { CB:69.989 } atom: 226 21E-HG3 G 2.264 ambi=2 { CG:36.171 } ::sumAvg: 4.81 atom: 225 21E-HG2 G 2.353 ambi=2 { CG:36.171 } atom: 241 23I-H N 7.598 ambi=1 { N:122.567 } :: atom: 226 21E-HG3 G 2.264 ambi=2 { CG:36.171 } atom: 241 23I-H N 7.598 ambi=1 { N:122.567 } ::sumAvg: 4.78 atom: 242 23I-HA A 4.003 ambi=1 { CA:62.568 } atom: 232 22T-H N 7.784 ambi=1 { N:110.084 } ::sumAvg: 4.935 atom: 244 23I-HG12 G1 1.894 ambi=2 { CG1:27.529 } atom: 232 22T-H N 7.784 ambi=1 { N:110.084 } :: atom: 245 23I-HG13 G1 0.72 ambi=2 { CG1:27.529 } atom: 232 22T-H N 7.784 ambi=1 { N:110.084 } ::sumAvg: 3.845 atom: 233 22T-HA A 4.332 ambi=1 { CA:62.31 } atom: 258 24T-HG2 G2 1.146 ambi=1 { CG2:20.873 } ::sumAvg: 3.895 atom: 258 24T-HG2 G2 1.146 ambi=1 { CG2:20.873 } atom: 241 23I-H N 7.598 ambi=1 { N:122.567 } ::sumAvg: 4.235 atom: 242 23I-HA A 4.003 ambi=1 { CA:62.568 } atom: 247 23I-HD1 D1 0.849 ambi=1 { CD1:14.979 } ::sumAvg: 3.845 atom: 242 23I-HA A 4.003 ambi=1 { CA:62.568 } atom: 256 24T-HA A 5.3 ambi=1 { CA:59.093 } ::sumAvg: 4.485 atom: 256 24T-HA A 5.3 ambi=1 { CA:59.093 } atom: 242 23I-HA A 4.003 ambi=1 { CA:62.568 } ::sumAvg: 4.485 atom: 258 24T-HG2 G2 1.146 ambi=1 { CG2:20.873 } atom: 242 23I-HA A 4.003 ambi=1 { CA:62.568 } ::sumAvg: 4.02 atom: 245 23I-HG13 G1 0.72 ambi=2 { CG1:27.529 } atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } ::sumAvg: 2.48 atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } ::sumAvg: 4.37 atom: 871 77L-HD1 D1 1.03 ambi=2 { CD1:26.806 } atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } :: atom: 872 77L-HD2 D2 0.874 ambi=2 { CD2:22.308 } atom: 243 23I-HB B 2 ambi=1 { CB:38.474 } ::sumAvg: 4.43 atom: 244 23I-HG12 G1 1.894 ambi=2 { CG1:27.529 } atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } :: atom: 245 23I-HG13 G1 0.72 ambi=2 { CG1:27.529 } atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } ::sumAvg: 4.44 atom: 256 24T-HA A 5.3 ambi=1 { CA:59.093 } atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } ::sumAvg: 3.69 atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } atom: 264 25P-HA A 3.756 ambi=1 { CA:64.888 } ::sumAvg: 4.7 atom: 264 25P-HA A 3.756 ambi=1 { CA:64.888 } atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } ::sumAvg: 4.7 atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } atom: 269 25P-HD2 D 3.612 ambi=2 { CD:50.475 } :: atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } atom: 270 25P-HD3 D 3.478 ambi=2 { CD:50.475 } ::sumAvg: 4.47 atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } :: atom: 246 23I-HG2 G2 0.913 ambi=1 { CG2:18.852 } atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } ::sumAvg: 4.77 atom: 257 24T-HB B 4.603 ambi=1 { CB:69.779 } atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } ::sumAvg: 3.81 atom: 269 25P-HD2 D 3.612 ambi=2 { CD:50.475 } atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } :: atom: 270 25P-HD3 D 3.478 ambi=2 { CD:50.475 } atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } ::sumAvg: 4.83 atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } :: atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } ::sumAvg: 3.105 atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } atom: 255 24T-H N 8.619 ambi=1 { N:118.655 } ::sumAvg: 4.86 atom: 264 25P-HA A 3.756 ambi=1 { CA:64.888 } atom: 256 24T-HA A 5.3 ambi=1 { CA:59.093 } ::sumAvg: 4.505 atom: 267 25P-HG2 G 1.678 ambi=2 { CG:27.144 } atom: 256 24T-HA A 5.3 ambi=1 { CA:59.093 } :: atom: 268 25P-HG3 G 0.24 ambi=2 { CG:27.144 } atom: 256 24T-HA A 5.3 ambi=1 { CA:59.093 } ::sumAvg: 4.45 atom: 256 24T-HA A 5.3 ambi=1 { CA:59.093 } atom: 276 26E-H N 7.365 ambi=1 { N:110.769 } ::sumAvg: 4.22 atom: 256 24T-HA A 5.3 ambi=1 { CA:59.093 } atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } ::sumAvg: 4.71 atom: 256 24T-HA A 5.3 ambi=1 { CA:59.093 } atom: 871 77L-HD1 D1 1.03 ambi=2 { CD1:26.806 } :: atom: 256 24T-HA A 5.3 ambi=1 { CA:59.093 } atom: 872 77L-HD2 D2 0.874 ambi=2 { CD2:22.308 } ::sumAvg: 4.5 atom: 871 77L-HD1 D1 1.03 ambi=2 { CD1:26.806 } atom: 256 24T-HA A 5.3 ambi=1 { CA:59.093 } :: atom: 872 77L-HD2 D2 0.874 ambi=2 { CD2:22.308 } atom: 256 24T-HA A 5.3 ambi=1 { CA:59.093 } ::sumAvg: 4.5 atom: 257 24T-HB B 4.603 ambi=1 { CB:69.779 } atom: 278 26E-HB2 B 2.224 ambi=2 { CB:29.493 } :: atom: 257 24T-HB B 4.603 ambi=1 { CB:69.779 } atom: 279 26E-HB3 B 1.748 ambi=2 { CB:29.493 } ::sumAvg: 4.205 atom: 278 26E-HB2 B 2.224 ambi=2 { CB:29.493 } atom: 257 24T-HB B 4.603 ambi=1 { CB:69.779 } :: atom: 279 26E-HB3 B 1.748 ambi=2 { CB:29.493 } atom: 257 24T-HB B 4.603 ambi=1 { CB:69.779 } ::sumAvg: 4.205 atom: 257 24T-HB B 4.603 ambi=1 { CB:69.779 } atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } :: atom: 257 24T-HB B 4.603 ambi=1 { CB:69.779 } atom: 281 26E-HG3 G 2.165 ambi=2 { CG:36.498 } ::sumAvg: 3.405 atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } atom: 257 24T-HB B 4.603 ambi=1 { CB:69.779 } :: atom: 281 26E-HG3 G 2.165 ambi=2 { CG:36.498 } atom: 257 24T-HB B 4.603 ambi=1 { CB:69.779 } ::sumAvg: 3.405 atom: 257 24T-HB B 4.603 ambi=1 { CB:69.779 } atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } ::sumAvg: 3.735 atom: 257 24T-HB B 4.603 ambi=1 { CB:69.779 } atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } :: atom: 257 24T-HB B 4.603 ambi=1 { CB:69.779 } atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } ::sumAvg: 4.825 atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } atom: 257 24T-HB B 4.603 ambi=1 { CB:69.779 } :: atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } atom: 257 24T-HB B 4.603 ambi=1 { CB:69.779 } ::sumAvg: 4.825 atom: 258 24T-HG2 G2 1.146 ambi=1 { CG2:20.873 } atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } :: atom: 258 24T-HG2 G2 1.146 ambi=1 { CG2:20.873 } atom: 281 26E-HG3 G 2.165 ambi=2 { CG:36.498 } ::sumAvg: 4.495 atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } atom: 258 24T-HG2 G2 1.146 ambi=1 { CG2:20.873 } :: atom: 281 26E-HG3 G 2.165 ambi=2 { CG:36.498 } atom: 258 24T-HG2 G2 1.146 ambi=1 { CG2:20.873 } ::sumAvg: 4.495 atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } atom: 258 24T-HG2 G2 1.146 ambi=1 { CG2:20.873 } :: atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } atom: 258 24T-HG2 G2 1.146 ambi=1 { CG2:20.873 } ::sumAvg: 4.515 atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } atom: 264 25P-HA A 3.756 ambi=1 { CA:64.888 } :: atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } atom: 264 25P-HA A 3.756 ambi=1 { CA:64.888 } ::sumAvg: 2.325 atom: 277 26E-HA A 4.173 ambi=1 { CA:56.437 } atom: 264 25P-HA A 3.756 ambi=1 { CA:64.888 } ::sumAvg: 4.79 atom: 264 25P-HA A 3.756 ambi=1 { CA:64.888 } atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } ::sumAvg: 4.095 atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } atom: 264 25P-HA A 3.756 ambi=1 { CA:64.888 } :: atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } atom: 264 25P-HA A 3.756 ambi=1 { CA:64.888 } ::sumAvg: 4.53 atom: 264 25P-HA A 3.756 ambi=1 { CA:64.888 } atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } ::sumAvg: 4.42 atom: 264 25P-HA A 3.756 ambi=1 { CA:64.888 } atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } ::sumAvg: 4.55 atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } atom: 264 25P-HA A 3.756 ambi=1 { CA:64.888 } ::sumAvg: 4.55 atom: 882 78K-HB2 B 1.835 ambi=2 { CB:31.138 } atom: 264 25P-HA A 3.756 ambi=1 { CA:64.888 } :: atom: 883 78K-HB3 B 1.603 ambi=2 { CB:31.138 } atom: 264 25P-HA A 3.756 ambi=1 { CA:64.888 } ::sumAvg: 3.12 atom: 264 25P-HA A 3.756 ambi=1 { CA:64.888 } atom: 884 78K-HG2 G 1.209 ambi=2 { CG:23.638 } :: atom: 264 25P-HA A 3.756 ambi=1 { CA:64.888 } atom: 885 78K-HG3 G 1.104 ambi=2 { CG:23.638 } ::sumAvg: 4.38 atom: 884 78K-HG2 G 1.209 ambi=2 { CG:23.638 } atom: 264 25P-HA A 3.756 ambi=1 { CA:64.888 } :: atom: 885 78K-HG3 G 1.104 ambi=2 { CG:23.638 } atom: 264 25P-HA A 3.756 ambi=1 { CA:64.888 } ::sumAvg: 4.38 atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } atom: 268 25P-HG3 G 0.24 ambi=2 { CG:27.144 } :: atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } atom: 268 25P-HG3 G 0.24 ambi=2 { CG:27.144 } ::sumAvg: 2.34 atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } atom: 269 25P-HD2 D 3.612 ambi=2 { CD:50.475 } :: atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } atom: 270 25P-HD3 D 3.478 ambi=2 { CD:50.475 } :: atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } atom: 269 25P-HD2 D 3.612 ambi=2 { CD:50.475 } :: atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } atom: 270 25P-HD3 D 3.478 ambi=2 { CD:50.475 } ::sumAvg: 2.905 atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } atom: 276 26E-H N 7.365 ambi=1 { N:110.769 } :: atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } atom: 276 26E-H N 7.365 ambi=1 { N:110.769 } ::sumAvg: 3.14 atom: 277 26E-HA A 4.173 ambi=1 { CA:56.437 } atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } :: atom: 277 26E-HA A 4.173 ambi=1 { CA:56.437 } atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } ::sumAvg: 4.125 atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } atom: 278 26E-HB2 B 2.224 ambi=2 { CB:29.493 } :: atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } atom: 278 26E-HB2 B 2.224 ambi=2 { CB:29.493 } ::sumAvg: 4.815 atom: 278 26E-HB2 B 2.224 ambi=2 { CB:29.493 } atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } :: atom: 278 26E-HB2 B 2.224 ambi=2 { CB:29.493 } atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } ::sumAvg: 4.815 atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } :: atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } atom: 281 26E-HG3 G 2.165 ambi=2 { CG:36.498 } :: atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } ::sumAvg: 4.075 atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } :: atom: 281 26E-HG3 G 2.165 ambi=2 { CG:36.498 } atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } :: atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } ::sumAvg: 4.075 atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } :: atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } :: atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } :: atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } ::sumAvg: 4.88 atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } atom: 869 77L-HB3 B 2.547 ambi=2 { CB:40.901 } :: atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } atom: 869 77L-HB3 B 2.547 ambi=2 { CB:40.901 } ::sumAvg: 4.605 atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } :: atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } ::sumAvg: 3.92 atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } atom: 884 78K-HG2 G 1.209 ambi=2 { CG:23.638 } :: atom: 265 25P-HB2 B 1.63 ambi=2 { CB:31.809 } atom: 885 78K-HG3 G 1.104 ambi=2 { CG:23.638 } :: atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } atom: 884 78K-HG2 G 1.209 ambi=2 { CG:23.638 } :: atom: 266 25P-HB3 B 1.799 ambi=2 { CB:31.809 } atom: 885 78K-HG3 G 1.104 ambi=2 { CG:23.638 } ::sumAvg: 3.975 atom: 278 26E-HB2 B 2.224 ambi=2 { CB:29.493 } atom: 267 25P-HG2 G 1.678 ambi=2 { CG:27.144 } :: atom: 278 26E-HB2 B 2.224 ambi=2 { CB:29.493 } atom: 268 25P-HG3 G 0.24 ambi=2 { CG:27.144 } :: atom: 279 26E-HB3 B 1.748 ambi=2 { CB:29.493 } atom: 268 25P-HG3 G 0.24 ambi=2 { CG:27.144 } ::sumAvg: 4.97 atom: 267 25P-HG2 G 1.678 ambi=2 { CG:27.144 } atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } :: atom: 267 25P-HG2 G 1.678 ambi=2 { CG:27.144 } atom: 281 26E-HG3 G 2.165 ambi=2 { CG:36.498 } :: atom: 268 25P-HG3 G 0.24 ambi=2 { CG:27.144 } atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } :: atom: 268 25P-HG3 G 0.24 ambi=2 { CG:27.144 } atom: 281 26E-HG3 G 2.165 ambi=2 { CG:36.498 } ::sumAvg: 4.1 atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } atom: 267 25P-HG2 G 1.678 ambi=2 { CG:27.144 } :: atom: 281 26E-HG3 G 2.165 ambi=2 { CG:36.498 } atom: 267 25P-HG2 G 1.678 ambi=2 { CG:27.144 } :: atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } atom: 268 25P-HG3 G 0.24 ambi=2 { CG:27.144 } :: atom: 281 26E-HG3 G 2.165 ambi=2 { CG:36.498 } atom: 268 25P-HG3 G 0.24 ambi=2 { CG:27.144 } ::sumAvg: 4.1 atom: 882 78K-HB2 B 1.835 ambi=2 { CB:31.138 } atom: 268 25P-HG3 G 0.24 ambi=2 { CG:27.144 } :: atom: 883 78K-HB3 B 1.603 ambi=2 { CB:31.138 } atom: 268 25P-HG3 G 0.24 ambi=2 { CG:27.144 } ::sumAvg: 4.34 atom: 278 26E-HB2 B 2.224 ambi=2 { CB:29.493 } atom: 269 25P-HD2 D 3.612 ambi=2 { CD:50.475 } :: atom: 279 26E-HB3 B 1.748 ambi=2 { CB:29.493 } atom: 269 25P-HD2 D 3.612 ambi=2 { CD:50.475 } :: atom: 278 26E-HB2 B 2.224 ambi=2 { CB:29.493 } atom: 270 25P-HD3 D 3.478 ambi=2 { CD:50.475 } :: atom: 279 26E-HB3 B 1.748 ambi=2 { CB:29.493 } atom: 270 25P-HD3 D 3.478 ambi=2 { CD:50.475 } ::sumAvg: 4.875 atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } atom: 269 25P-HD2 D 3.612 ambi=2 { CD:50.475 } :: atom: 281 26E-HG3 G 2.165 ambi=2 { CG:36.498 } atom: 269 25P-HD2 D 3.612 ambi=2 { CD:50.475 } :: atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } atom: 270 25P-HD3 D 3.478 ambi=2 { CD:50.475 } :: atom: 281 26E-HG3 G 2.165 ambi=2 { CG:36.498 } atom: 270 25P-HD3 D 3.478 ambi=2 { CD:50.475 } ::sumAvg: 3.925 atom: 269 25P-HD2 D 3.612 ambi=2 { CD:50.475 } atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } :: atom: 270 25P-HD3 D 3.478 ambi=2 { CD:50.475 } atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } ::sumAvg: 4.815 atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } atom: 276 26E-H N 7.365 ambi=1 { N:110.769 } :: atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } atom: 276 26E-H N 7.365 ambi=1 { N:110.769 } ::sumAvg: 4.735 atom: 868 77L-HB2 B 1.607 ambi=2 { CB:40.901 } atom: 276 26E-H N 7.365 ambi=1 { N:110.769 } :: atom: 869 77L-HB3 B 2.547 ambi=2 { CB:40.901 } atom: 276 26E-H N 7.365 ambi=1 { N:110.769 } ::sumAvg: 4.97 atom: 882 78K-HB2 B 1.835 ambi=2 { CB:31.138 } atom: 276 26E-H N 7.365 ambi=1 { N:110.769 } :: atom: 883 78K-HB3 B 1.603 ambi=2 { CB:31.138 } atom: 276 26E-H N 7.365 ambi=1 { N:110.769 } ::sumAvg: 4.815 atom: 277 26E-HA A 4.173 ambi=1 { CA:56.437 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } ::sumAvg: 4.585 atom: 277 26E-HA A 4.173 ambi=1 { CA:56.437 } atom: 882 78K-HB2 B 1.835 ambi=2 { CB:31.138 } :: atom: 277 26E-HA A 4.173 ambi=1 { CA:56.437 } atom: 883 78K-HB3 B 1.603 ambi=2 { CB:31.138 } ::sumAvg: 4.555 atom: 277 26E-HA A 4.173 ambi=1 { CA:56.437 } atom: 886 78K-HD2 D 1.485 ambi=2 { CD:29.54 } :: atom: 277 26E-HA A 4.173 ambi=1 { CA:56.437 } atom: 887 78K-HD3 D 1.373 ambi=2 { CD:29.54 } ::sumAvg: 3.88 atom: 277 26E-HA A 4.173 ambi=1 { CA:56.437 } atom: 888 78K-HE2 E 2.756 ambi=2 { CE:42.067 } :: atom: 277 26E-HA A 4.173 ambi=1 { CA:56.437 } atom: 889 78K-HE3 E 2.805 ambi=2 { CE:42.067 } ::sumAvg: 2.98 atom: 288 27S-HA A 4.304 ambi=1 { CA:60.898 } atom: 278 26E-HB2 B 2.224 ambi=2 { CB:29.493 } :: atom: 288 27S-HA A 4.304 ambi=1 { CA:60.898 } atom: 279 26E-HB3 B 1.748 ambi=2 { CB:29.493 } ::sumAvg: 4.53 atom: 288 27S-HA A 4.304 ambi=1 { CA:60.898 } atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } :: atom: 288 27S-HA A 4.304 ambi=1 { CA:60.898 } atom: 281 26E-HG3 G 2.165 ambi=2 { CG:36.498 } ::sumAvg: 4.96 atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } atom: 888 78K-HE2 E 2.756 ambi=2 { CE:42.067 } :: atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } atom: 889 78K-HE3 E 2.805 ambi=2 { CE:42.067 } :: atom: 281 26E-HG3 G 2.165 ambi=2 { CG:36.498 } atom: 888 78K-HE2 E 2.756 ambi=2 { CE:42.067 } :: atom: 281 26E-HG3 G 2.165 ambi=2 { CG:36.498 } atom: 889 78K-HE3 E 2.805 ambi=2 { CE:42.067 } ::sumAvg: 4.98 atom: 888 78K-HE2 E 2.756 ambi=2 { CE:42.067 } atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } :: atom: 889 78K-HE3 E 2.805 ambi=2 { CE:42.067 } atom: 280 26E-HG2 G 2.283 ambi=2 { CG:36.498 } :: atom: 888 78K-HE2 E 2.756 ambi=2 { CE:42.067 } atom: 281 26E-HG3 G 2.165 ambi=2 { CG:36.498 } :: atom: 889 78K-HE3 E 2.805 ambi=2 { CE:42.067 } atom: 281 26E-HG3 G 2.165 ambi=2 { CG:36.498 } ::sumAvg: 4.98 atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } :: atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } ::sumAvg: 4.01 atom: 868 77L-HB2 B 1.607 ambi=2 { CB:40.901 } atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } :: atom: 869 77L-HB3 B 2.547 ambi=2 { CB:40.901 } atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } ::sumAvg: 4.055 atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } atom: 287 27S-H N 8.056 ambi=1 { N:118.143 } ::sumAvg: 4.025 atom: 288 27S-HA A 4.304 ambi=1 { CA:60.898 } atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } ::sumAvg: 4.48 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 288 27S-HA A 4.304 ambi=1 { CA:60.898 } ::sumAvg: 4.48 atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } atom: 288 27S-HA A 4.304 ambi=1 { CA:60.898 } :: atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } atom: 288 27S-HA A 4.304 ambi=1 { CA:60.898 } ::sumAvg: 4.5 atom: 288 27S-HA A 4.304 ambi=1 { CA:60.898 } atom: 337 32D-H N 8.464 ambi=1 { N:114.188 } ::sumAvg: 4.88 atom: 288 27S-HA A 4.304 ambi=1 { CA:60.898 } atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } ::sumAvg: 4.795 atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } atom: 288 27S-HA A 4.304 ambi=1 { CA:60.898 } ::sumAvg: 4.795 atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } atom: 288 27S-HA A 4.304 ambi=1 { CA:60.898 } :: atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } atom: 288 27S-HA A 4.304 ambi=1 { CA:60.898 } ::sumAvg: 4.355 atom: 288 27S-HA A 4.304 ambi=1 { CA:60.898 } atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } ::sumAvg: 4.85 atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } atom: 288 27S-HA A 4.304 ambi=1 { CA:60.898 } ::sumAvg: 4.85 atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } :: atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } ::sumAvg: 3.59 atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } :: atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } ::sumAvg: 4.945 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } :: atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } ::sumAvg: 4.945 atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } atom: 339 32D-HB2 B 3.095 ambi=2 { CB:42.139 } :: atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } atom: 340 32D-HB3 B 2.958 ambi=2 { CB:42.139 } :: atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } atom: 339 32D-HB2 B 3.095 ambi=2 { CB:42.139 } :: atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } atom: 340 32D-HB3 B 2.958 ambi=2 { CB:42.139 } ::sumAvg: 3.41 atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } :: atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } ::sumAvg: 4.73 atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } :: atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } ::sumAvg: 3.175 atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } :: atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } ::sumAvg: 4.71 atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } atom: 868 77L-HB2 B 1.607 ambi=2 { CB:40.901 } :: atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } atom: 869 77L-HB3 B 2.547 ambi=2 { CB:40.901 } :: atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } atom: 868 77L-HB2 B 1.607 ambi=2 { CB:40.901 } :: atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } atom: 869 77L-HB3 B 2.547 ambi=2 { CB:40.901 } ::sumAvg: 4.735 atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } :: atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } ::sumAvg: 3.315 atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } atom: 289 27S-HB2 B 3.811 ambi=2 { CB:64.144 } :: atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } atom: 290 27S-HB3 B 4.192 ambi=2 { CB:64.144 } ::sumAvg: 3.315 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } ::sumAvg: 2.895 atom: 332 31D-HB2 B 2.528 ambi=2 { CB:39.974 } atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } :: atom: 333 31D-HB3 B 1.84 ambi=2 { CB:39.974 } atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } ::sumAvg: 3.8 atom: 339 32D-HB2 B 3.095 ambi=2 { CB:42.139 } atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } :: atom: 340 32D-HB3 B 2.958 ambi=2 { CB:42.139 } atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } ::sumAvg: 2.76 atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } ::sumAvg: 4.405 atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } ::sumAvg: 4.255 atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } :: atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } ::sumAvg: 3.815 atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } atom: 295 28H-H N 10.68 ambi=1 { N:128.086 } ::sumAvg: 4.82 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } :: atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } ::sumAvg: 2.5 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 299 28H-HD2 D2 7.161 ambi=1 { CD2:119.236 } ::sumAvg: 3.85 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } ::sumAvg: 2.205 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } ::sumAvg: 4.39 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } ::sumAvg: 4.39 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } ::sumAvg: 4.045 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 316 30I-H N 8.537 ambi=1 { N:113.255 } ::sumAvg: 4.53 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 330 31D-H N 8.451 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.835 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 332 31D-HB2 B 2.528 ambi=2 { CB:39.974 } :: atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 333 31D-HB3 B 1.84 ambi=2 { CB:39.974 } ::sumAvg: 4.68 atom: 332 31D-HB2 B 2.528 ambi=2 { CB:39.974 } atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } :: atom: 333 31D-HB3 B 1.84 ambi=2 { CB:39.974 } atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } ::sumAvg: 4.68 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 337 32D-H N 8.464 ambi=1 { N:114.188 } ::sumAvg: 4.88 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 350 33L-HD1 D1 1.026 ambi=2 { CD1:26.651 } :: atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 351 33L-HD2 D2 0.896 ambi=2 { CD2:22.291 } ::sumAvg: 4.755 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } :: atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } ::sumAvg: 4.38 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } ::sumAvg: 4.38 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } ::sumAvg: 3.93 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 857 76V-HB B 2.183 ambi=1 { CB:31.091 } ::sumAvg: 4.52 atom: 857 76V-HB B 2.183 ambi=1 { CB:31.091 } atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } ::sumAvg: 4.52 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } :: atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } ::sumAvg: 2.71 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } ::sumAvg: 3.39 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } ::sumAvg: 3.915 atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } ::sumAvg: 3.915 atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 871 77L-HD1 D1 1.03 ambi=2 { CD1:26.806 } :: atom: 296 28H-HA A 4.722 ambi=1 { CA:56.323 } atom: 872 77L-HD2 D2 0.874 ambi=2 { CD2:22.308 } ::sumAvg: 3.985 atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } atom: 299 28H-HD2 D2 7.161 ambi=1 { CD2:119.236 } :: atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } atom: 299 28H-HD2 D2 7.161 ambi=1 { CD2:119.236 } ::sumAvg: 2.66 atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } atom: 300 28H-HE1 E1 7.525 ambi=1 { CE1:139.442 } :: atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } atom: 300 28H-HE1 E1 7.525 ambi=1 { CE1:139.442 } ::sumAvg: 4.805 atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } :: atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } ::sumAvg: 4.18 atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } atom: 316 30I-H N 8.537 ambi=1 { N:113.255 } :: atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } atom: 316 30I-H N 8.537 ambi=1 { N:113.255 } ::sumAvg: 4.46 atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } atom: 331 31D-HA A 4.168 ambi=1 { CA:57.415 } :: atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } atom: 331 31D-HA A 4.168 ambi=1 { CA:57.415 } ::sumAvg: 4.6 atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } :: atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } ::sumAvg: 4.665 atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } atom: 797 72E-HA A 3.857 ambi=1 { CA:59.904 } :: atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } atom: 797 72E-HA A 3.857 ambi=1 { CA:59.904 } ::sumAvg: 4.72 atom: 797 72E-HA A 3.857 ambi=1 { CA:59.904 } atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } :: atom: 797 72E-HA A 3.857 ambi=1 { CA:59.904 } atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } ::sumAvg: 4.72 atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } atom: 800 72E-HG2 G 2.294 ambi=2 { CG:36.535 } :: atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } atom: 801 72E-HG3 G 2.357 ambi=2 { CG:36.535 } :: atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } atom: 800 72E-HG2 G 2.294 ambi=2 { CG:36.535 } :: atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } atom: 801 72E-HG3 G 2.357 ambi=2 { CG:36.535 } ::sumAvg: 4.75 atom: 800 72E-HG2 G 2.294 ambi=2 { CG:36.535 } atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } :: atom: 801 72E-HG3 G 2.357 ambi=2 { CG:36.535 } atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } :: atom: 800 72E-HG2 G 2.294 ambi=2 { CG:36.535 } atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } :: atom: 801 72E-HG3 G 2.357 ambi=2 { CG:36.535 } atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } ::sumAvg: 4.75 atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } :: atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } ::sumAvg: 4.925 atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 297 28H-HB2 B 3.162 ambi=2 { CB:32.559 } :: atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 298 28H-HB3 B 3.13 ambi=2 { CB:32.559 } ::sumAvg: 3.49 atom: 332 31D-HB2 B 2.528 ambi=2 { CB:39.974 } atom: 299 28H-HD2 D2 7.161 ambi=1 { CD2:119.236 } :: atom: 333 31D-HB3 B 1.84 ambi=2 { CB:39.974 } atom: 299 28H-HD2 D2 7.161 ambi=1 { CD2:119.236 } ::sumAvg: 4.455 atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 299 28H-HD2 D2 7.161 ambi=1 { CD2:119.236 } ::sumAvg: 4.03 atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } atom: 300 28H-HE1 E1 7.525 ambi=1 { CE1:139.442 } ::sumAvg: 4.175 atom: 317 30I-HA A 4.21 ambi=1 { CA:62.886 } atom: 300 28H-HE1 E1 7.525 ambi=1 { CE1:139.442 } ::sumAvg: 4.52 atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } atom: 300 28H-HE1 E1 7.525 ambi=1 { CE1:139.442 } :: atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } atom: 300 28H-HE1 E1 7.525 ambi=1 { CE1:139.442 } ::sumAvg: 2.68 atom: 332 31D-HB2 B 2.528 ambi=2 { CB:39.974 } atom: 300 28H-HE1 E1 7.525 ambi=1 { CE1:139.442 } :: atom: 333 31D-HB3 B 1.84 ambi=2 { CB:39.974 } atom: 300 28H-HE1 E1 7.525 ambi=1 { CE1:139.442 } ::sumAvg: 4.41 atom: 790 71T-HG2 G2 1.556 ambi=1 { CG2:22.712 } atom: 300 28H-HE1 E1 7.525 ambi=1 { CE1:139.442 } ::sumAvg: 3.07 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 300 28H-HE1 E1 7.525 ambi=1 { CE1:139.442 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 300 28H-HE1 E1 7.525 ambi=1 { CE1:139.442 } ::sumAvg: 2.875 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } ::sumAvg: 2.735 atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } :: atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } ::sumAvg: 4.805 atom: 347 33L-HB2 B 1.572 ambi=2 { CB:41.159 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } :: atom: 348 33L-HB3 B 2.493 ambi=2 { CB:41.159 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } ::sumAvg: 4.855 atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } ::sumAvg: 4.76 atom: 371 35I-HD1 D1 0.774 ambi=1 { CD1:14.146 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } ::sumAvg: 4.885 atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } ::sumAvg: 4.09 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } ::sumAvg: 2.915 atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } ::sumAvg: 3.01 atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } ::sumAvg: 4.14 atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } :: atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } atom: 309 29A-H N 9.292 ambi=1 { N:130.117 } ::sumAvg: 4.96 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } ::sumAvg: 2.135 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 316 30I-H N 8.537 ambi=1 { N:113.255 } ::sumAvg: 3.61 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 330 31D-H N 8.451 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.915 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 337 32D-H N 8.464 ambi=1 { N:114.188 } ::sumAvg: 4.79 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } ::sumAvg: 3.57 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 347 33L-HB2 B 1.572 ambi=2 { CB:41.159 } :: atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 348 33L-HB3 B 2.493 ambi=2 { CB:41.159 } ::sumAvg: 2.275 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } ::sumAvg: 3.16 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 350 33L-HD1 D1 1.026 ambi=2 { CD1:26.651 } :: atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 351 33L-HD2 D2 0.896 ambi=2 { CD2:22.291 } ::sumAvg: 2.035 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } ::sumAvg: 4.465 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 365 35I-H N 7.867 ambi=1 { N:121.082 } ::sumAvg: 3.95 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } ::sumAvg: 3.43 atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } ::sumAvg: 3.43 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 368 35I-HG12 G1 1.084 ambi=2 { CG1:27.864 } :: atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } ::sumAvg: 3.82 atom: 368 35I-HG12 G1 1.084 ambi=2 { CG1:27.864 } atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } :: atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } ::sumAvg: 3.82 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 370 35I-HG2 G2 0.736 ambi=1 { CG2:18.239 } ::sumAvg: 4.54 atom: 370 35I-HG2 G2 0.736 ambi=1 { CG2:18.239 } atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } ::sumAvg: 4.54 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 371 35I-HD1 D1 0.774 ambi=1 { CD1:14.146 } ::sumAvg: 2.775 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } :: atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } ::sumAvg: 4.66 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } ::sumAvg: 4.66 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } ::sumAvg: 4.65 atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } ::sumAvg: 4.65 atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 871 77L-HD1 D1 1.03 ambi=2 { CD1:26.806 } :: atom: 310 29A-HA A 3.94 ambi=1 { CA:55.898 } atom: 872 77L-HD2 D2 0.874 ambi=2 { CD2:22.308 } ::sumAvg: 3.265 atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } ::sumAvg: 2.87 atom: 321 30I-HG2 G2 0.894 ambi=1 { CG2:17.222 } atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } ::sumAvg: 4.84 atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } ::sumAvg: 4.895 atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } atom: 365 35I-H N 7.867 ambi=1 { N:121.082 } ::sumAvg: 3.915 atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } atom: 366 35I-HA A 4.061 ambi=1 { CA:62.095 } ::sumAvg: 4.925 atom: 366 35I-HA A 4.061 ambi=1 { CA:62.095 } atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } ::sumAvg: 4.925 atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } atom: 368 35I-HG12 G1 1.084 ambi=2 { CG1:27.864 } ::sumAvg: 3.905 atom: 370 35I-HG2 G2 0.736 ambi=1 { CG2:18.239 } atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } ::sumAvg: 2.86 atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } ::sumAvg: 4.77 atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } ::sumAvg: 3.185 atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } ::sumAvg: 3.185 atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } ::sumAvg: 4.24 atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } ::sumAvg: 4.49 atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } ::sumAvg: 4.49 atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } atom: 867 77L-HA A 4.036 ambi=1 { CA:59.047 } ::sumAvg: 4.755 atom: 311 29A-HB B 1.609 ambi=1 { CB:19.004 } atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } ::sumAvg: 4.56 atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } atom: 316 30I-H N 8.537 ambi=1 { N:113.255 } ::sumAvg: 4.285 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 316 30I-H N 8.537 ambi=1 { N:113.255 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 316 30I-H N 8.537 ambi=1 { N:113.255 } ::sumAvg: 2.735 atom: 318 30I-HB B 1.824 ambi=1 { CB:39.133 } atom: 317 30I-HA A 4.21 ambi=1 { CA:62.886 } ::sumAvg: 3.045 atom: 317 30I-HA A 4.21 ambi=1 { CA:62.886 } atom: 330 31D-H N 8.451 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.545 atom: 347 33L-HB2 B 1.572 ambi=2 { CB:41.159 } atom: 317 30I-HA A 4.21 ambi=1 { CA:62.886 } :: atom: 348 33L-HB3 B 2.493 ambi=2 { CB:41.159 } atom: 317 30I-HA A 4.21 ambi=1 { CA:62.886 } ::sumAvg: 4.875 atom: 317 30I-HA A 4.21 ambi=1 { CA:62.886 } atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } ::sumAvg: 3.735 atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } atom: 317 30I-HA A 4.21 ambi=1 { CA:62.886 } ::sumAvg: 3.625 atom: 368 35I-HG12 G1 1.084 ambi=2 { CG1:27.864 } atom: 317 30I-HA A 4.21 ambi=1 { CA:62.886 } :: atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } atom: 317 30I-HA A 4.21 ambi=1 { CA:62.886 } ::sumAvg: 4.815 atom: 317 30I-HA A 4.21 ambi=1 { CA:62.886 } atom: 379 36D-H N 8.819 ambi=1 { N:127.369 } ::sumAvg: 4.92 atom: 317 30I-HA A 4.21 ambi=1 { CA:62.886 } atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } ::sumAvg: 4.03 atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } atom: 317 30I-HA A 4.21 ambi=1 { CA:62.886 } ::sumAvg: 4.03 atom: 318 30I-HB B 1.824 ambi=1 { CB:39.133 } atom: 330 31D-H N 8.451 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.66 atom: 318 30I-HB B 1.824 ambi=1 { CB:39.133 } atom: 331 31D-HA A 4.168 ambi=1 { CA:57.415 } ::sumAvg: 4.19 atom: 318 30I-HB B 1.824 ambi=1 { CB:39.133 } atom: 332 31D-HB2 B 2.528 ambi=2 { CB:39.974 } ::sumAvg: 4.205 atom: 318 30I-HB B 1.824 ambi=1 { CB:39.133 } atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } ::sumAvg: 4.33 atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } atom: 318 30I-HB B 1.824 ambi=1 { CB:39.133 } ::sumAvg: 4.33 atom: 318 30I-HB B 1.824 ambi=1 { CB:39.133 } atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } :: atom: 318 30I-HB B 1.824 ambi=1 { CB:39.133 } atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } ::sumAvg: 4.36 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 318 30I-HB B 1.824 ambi=1 { CB:39.133 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 318 30I-HB B 1.824 ambi=1 { CB:39.133 } ::sumAvg: 4.36 atom: 318 30I-HB B 1.824 ambi=1 { CB:39.133 } atom: 841 75F-QD D 7.14 ambi=3 { CD1:131.554 } ::sumAvg: 4.755 atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } atom: 330 31D-H N 8.451 ambi=1 {attached_atom is not_assigned} :: atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } atom: 330 31D-H N 8.451 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.165 atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } atom: 365 35I-H N 7.867 ambi=1 { N:121.082 } :: atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } atom: 365 35I-H N 7.867 ambi=1 { N:121.082 } ::sumAvg: 4.88 atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } :: atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } ::sumAvg: 4.305 atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } :: atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } ::sumAvg: 4.305 atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } atom: 370 35I-HG2 G2 0.736 ambi=1 { CG2:18.239 } ::sumAvg: 4.295 atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } :: atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } ::sumAvg: 3.045 atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } :: atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } ::sumAvg: 3.045 atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } atom: 387 37S-H N 8.367 ambi=1 { N:114.194 } :: atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } atom: 387 37S-H N 8.367 ambi=1 { N:114.194 } ::sumAvg: 4.085 atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } :: atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } ::sumAvg: 4.485 atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } :: atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } :: atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } :: atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } ::sumAvg: 4.72 atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } :: atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } :: atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } :: atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } ::sumAvg: 4.72 atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } atom: 790 71T-HG2 G2 1.556 ambi=1 { CG2:22.712 } ::sumAvg: 3.985 atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } :: atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } :: atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } :: atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } ::sumAvg: 2.935 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } :: atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } ::sumAvg: 2.935 atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } atom: 841 75F-QD D 7.14 ambi=3 { CD1:131.554 } :: atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } atom: 841 75F-QD D 7.14 ambi=3 { CD1:131.554 } ::sumAvg: 2.68 atom: 319 30I-HG12 G1 1.218 ambi=2 { CG1:27.344 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } :: atom: 320 30I-HG13 G1 1.026 ambi=2 { CG1:27.344 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } ::sumAvg: 3.725 atom: 321 30I-HG2 G2 0.894 ambi=1 { CG2:17.222 } atom: 330 31D-H N 8.451 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.535 atom: 331 31D-HA A 4.168 ambi=1 { CA:57.415 } atom: 321 30I-HG2 G2 0.894 ambi=1 { CG2:17.222 } ::sumAvg: 3.48 atom: 332 31D-HB2 B 2.528 ambi=2 { CB:39.974 } atom: 321 30I-HG2 G2 0.894 ambi=1 { CG2:17.222 } :: atom: 333 31D-HB3 B 1.84 ambi=2 { CB:39.974 } atom: 321 30I-HG2 G2 0.894 ambi=1 { CG2:17.222 } ::sumAvg: 4.495 atom: 321 30I-HG2 G2 0.894 ambi=1 { CG2:17.222 } atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } ::sumAvg: 4.88 atom: 321 30I-HG2 G2 0.894 ambi=1 { CG2:17.222 } atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } ::sumAvg: 3.255 atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } atom: 321 30I-HG2 G2 0.894 ambi=1 { CG2:17.222 } ::sumAvg: 3.255 atom: 321 30I-HG2 G2 0.894 ambi=1 { CG2:17.222 } atom: 381 36D-HB2 B 3.105 ambi=2 { CB:42.454 } :: atom: 321 30I-HG2 G2 0.894 ambi=1 { CG2:17.222 } atom: 382 36D-HB3 B 2.737 ambi=2 { CB:42.454 } ::sumAvg: 4.81 atom: 321 30I-HG2 G2 0.894 ambi=1 { CG2:17.222 } atom: 387 37S-H N 8.367 ambi=1 { N:114.194 } ::sumAvg: 4.415 atom: 321 30I-HG2 G2 0.894 ambi=1 { CG2:17.222 } atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } ::sumAvg: 4.87 atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } atom: 321 30I-HG2 G2 0.894 ambi=1 { CG2:17.222 } ::sumAvg: 4.87 atom: 790 71T-HG2 G2 1.556 ambi=1 { CG2:22.712 } atom: 321 30I-HG2 G2 0.894 ambi=1 { CG2:17.222 } ::sumAvg: 3.72 atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } atom: 330 31D-H N 8.451 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.64 atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } ::sumAvg: 3.97 atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } ::sumAvg: 3.97 atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } atom: 387 37S-H N 8.367 ambi=1 { N:114.194 } ::sumAvg: 3.945 atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } ::sumAvg: 3.905 atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } ::sumAvg: 3.835 atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } ::sumAvg: 3.835 atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } :: atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } ::sumAvg: 4.905 atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } :: atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } ::sumAvg: 4.905 atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } :: atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } ::sumAvg: 4.96 atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } :: atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } ::sumAvg: 4.415 atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } ::sumAvg: 4.37 atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } ::sumAvg: 4.37 atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } ::sumAvg: 3.44 atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } ::sumAvg: 3.44 atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } :: atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } ::sumAvg: 3.78 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 322 30I-HD1 D1 0.347 ambi=1 { CD1:12.005 } ::sumAvg: 3.78 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 330 31D-H N 8.451 ambi=1 {attached_atom is not_assigned} :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 330 31D-H N 8.451 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.93 atom: 331 31D-HA A 4.168 ambi=1 { CA:57.415 } atom: 338 32D-HA A 5.051 ambi=1 { CA:55.997 } ::sumAvg: 4.665 atom: 338 32D-HA A 5.051 ambi=1 { CA:55.997 } atom: 331 31D-HA A 4.168 ambi=1 { CA:57.415 } ::sumAvg: 4.665 atom: 331 31D-HA A 4.168 ambi=1 { CA:57.415 } atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } ::sumAvg: 4.69 atom: 332 31D-HB2 B 2.528 ambi=2 { CB:39.974 } atom: 338 32D-HA A 5.051 ambi=1 { CA:55.997 } :: atom: 333 31D-HB3 B 1.84 ambi=2 { CB:39.974 } atom: 338 32D-HA A 5.051 ambi=1 { CA:55.997 } ::sumAvg: 4.46 atom: 338 32D-HA A 5.051 ambi=1 { CA:55.997 } atom: 332 31D-HB2 B 2.528 ambi=2 { CB:39.974 } :: atom: 338 32D-HA A 5.051 ambi=1 { CA:55.997 } atom: 333 31D-HB3 B 1.84 ambi=2 { CB:39.974 } ::sumAvg: 4.46 atom: 332 31D-HB2 B 2.528 ambi=2 { CB:39.974 } atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } :: atom: 333 31D-HB3 B 1.84 ambi=2 { CB:39.974 } atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } ::sumAvg: 4.66 atom: 332 31D-HB2 B 2.528 ambi=2 { CB:39.974 } atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } :: atom: 332 31D-HB2 B 2.528 ambi=2 { CB:39.974 } atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } :: atom: 333 31D-HB3 B 1.84 ambi=2 { CB:39.974 } atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } :: atom: 333 31D-HB3 B 1.84 ambi=2 { CB:39.974 } atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } ::sumAvg: 4.91 atom: 347 33L-HB2 B 1.572 ambi=2 { CB:41.159 } atom: 337 32D-H N 8.464 ambi=1 { N:114.188 } :: atom: 348 33L-HB3 B 2.493 ambi=2 { CB:41.159 } atom: 337 32D-H N 8.464 ambi=1 { N:114.188 } ::sumAvg: 4.615 atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } atom: 337 32D-H N 8.464 ambi=1 { N:114.188 } ::sumAvg: 4.25 atom: 338 32D-HA A 5.051 ambi=1 { CA:55.997 } atom: 346 33L-HA A 4.465 ambi=1 { CA:54.928 } ::sumAvg: 4.76 atom: 346 33L-HA A 4.465 ambi=1 { CA:54.928 } atom: 338 32D-HA A 5.051 ambi=1 { CA:55.997 } ::sumAvg: 4.76 atom: 338 32D-HA A 5.051 ambi=1 { CA:55.997 } atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } ::sumAvg: 4.525 atom: 339 32D-HB2 B 3.095 ambi=2 { CB:42.139 } atom: 346 33L-HA A 4.465 ambi=1 { CA:54.928 } :: atom: 340 32D-HB3 B 2.958 ambi=2 { CB:42.139 } atom: 346 33L-HA A 4.465 ambi=1 { CA:54.928 } ::sumAvg: 4.275 atom: 346 33L-HA A 4.465 ambi=1 { CA:54.928 } atom: 339 32D-HB2 B 3.095 ambi=2 { CB:42.139 } :: atom: 346 33L-HA A 4.465 ambi=1 { CA:54.928 } atom: 340 32D-HB3 B 2.958 ambi=2 { CB:42.139 } ::sumAvg: 4.275 atom: 347 33L-HB2 B 1.572 ambi=2 { CB:41.159 } atom: 339 32D-HB2 B 3.095 ambi=2 { CB:42.139 } :: atom: 348 33L-HB3 B 2.493 ambi=2 { CB:41.159 } atom: 339 32D-HB2 B 3.095 ambi=2 { CB:42.139 } :: atom: 347 33L-HB2 B 1.572 ambi=2 { CB:41.159 } atom: 340 32D-HB3 B 2.958 ambi=2 { CB:42.139 } :: atom: 348 33L-HB3 B 2.493 ambi=2 { CB:41.159 } atom: 340 32D-HB3 B 2.958 ambi=2 { CB:42.139 } ::sumAvg: 4.55 atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } atom: 339 32D-HB2 B 3.095 ambi=2 { CB:42.139 } :: atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } atom: 340 32D-HB3 B 2.958 ambi=2 { CB:42.139 } ::sumAvg: 2.995 atom: 339 32D-HB2 B 3.095 ambi=2 { CB:42.139 } atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } :: atom: 340 32D-HB3 B 2.958 ambi=2 { CB:42.139 } atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } ::sumAvg: 4.685 atom: 360 34G-HA2 A 3.913 ambi=2 { CA:46.942 } atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } :: atom: 361 34G-HA3 A 3.894 ambi=2 { CA:46.942 } atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } ::sumAvg: 4.835 atom: 368 35I-HG12 G1 1.084 ambi=2 { CG1:27.864 } atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } :: atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } atom: 345 33L-H N 7.217 ambi=1 { N:113.802 } ::sumAvg: 4.67 atom: 346 33L-HA A 4.465 ambi=1 { CA:54.928 } atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } ::sumAvg: 3.235 atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } atom: 346 33L-HA A 4.465 ambi=1 { CA:54.928 } ::sumAvg: 3.235 atom: 346 33L-HA A 4.465 ambi=1 { CA:54.928 } atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } ::sumAvg: 3.48 atom: 360 34G-HA2 A 3.913 ambi=2 { CA:46.942 } atom: 346 33L-HA A 4.465 ambi=1 { CA:54.928 } :: atom: 361 34G-HA3 A 3.894 ambi=2 { CA:46.942 } atom: 346 33L-HA A 4.465 ambi=1 { CA:54.928 } ::sumAvg: 4.605 atom: 346 33L-HA A 4.465 ambi=1 { CA:54.928 } atom: 365 35I-H N 7.867 ambi=1 { N:121.082 } ::sumAvg: 4.78 atom: 346 33L-HA A 4.465 ambi=1 { CA:54.928 } atom: 368 35I-HG12 G1 1.084 ambi=2 { CG1:27.864 } :: atom: 346 33L-HA A 4.465 ambi=1 { CA:54.928 } atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } ::sumAvg: 4.515 atom: 368 35I-HG12 G1 1.084 ambi=2 { CG1:27.864 } atom: 346 33L-HA A 4.465 ambi=1 { CA:54.928 } :: atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } atom: 346 33L-HA A 4.465 ambi=1 { CA:54.928 } ::sumAvg: 4.515 atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } atom: 348 33L-HB3 B 2.493 ambi=2 { CB:41.159 } ::sumAvg: 2.47 atom: 347 33L-HB2 B 1.572 ambi=2 { CB:41.159 } atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } :: atom: 348 33L-HB3 B 2.493 ambi=2 { CB:41.159 } atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } ::sumAvg: 2.975 atom: 360 34G-HA2 A 3.913 ambi=2 { CA:46.942 } atom: 347 33L-HB2 B 1.572 ambi=2 { CB:41.159 } :: atom: 361 34G-HA3 A 3.894 ambi=2 { CA:46.942 } atom: 347 33L-HB2 B 1.572 ambi=2 { CB:41.159 } :: atom: 360 34G-HA2 A 3.913 ambi=2 { CA:46.942 } atom: 348 33L-HB3 B 2.493 ambi=2 { CB:41.159 } :: atom: 361 34G-HA3 A 3.894 ambi=2 { CA:46.942 } atom: 348 33L-HB3 B 2.493 ambi=2 { CB:41.159 } ::sumAvg: 4.955 atom: 347 33L-HB2 B 1.572 ambi=2 { CB:41.159 } atom: 365 35I-H N 7.867 ambi=1 { N:121.082 } :: atom: 348 33L-HB3 B 2.493 ambi=2 { CB:41.159 } atom: 365 35I-H N 7.867 ambi=1 { N:121.082 } ::sumAvg: 2.955 atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } atom: 348 33L-HB3 B 2.493 ambi=2 { CB:41.159 } ::sumAvg: 3.605 atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } atom: 368 35I-HG12 G1 1.084 ambi=2 { CG1:27.864 } ::sumAvg: 4.865 atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } atom: 371 35I-HD1 D1 0.774 ambi=1 { CD1:14.146 } ::sumAvg: 4.185 atom: 349 33L-HG G 1.656 ambi=1 { CG:26.877 } atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } ::sumAvg: 4.5 atom: 350 33L-HD1 D1 1.026 ambi=2 { CD1:26.651 } atom: 365 35I-H N 7.867 ambi=1 { N:121.082 } :: atom: 351 33L-HD2 D2 0.896 ambi=2 { CD2:22.291 } atom: 365 35I-H N 7.867 ambi=1 { N:121.082 } ::sumAvg: 4.58 atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } atom: 350 33L-HD1 D1 1.026 ambi=2 { CD1:26.651 } :: atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } atom: 351 33L-HD2 D2 0.896 ambi=2 { CD2:22.291 } ::sumAvg: 4.26 atom: 350 33L-HD1 D1 1.026 ambi=2 { CD1:26.651 } atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } :: atom: 351 33L-HD2 D2 0.896 ambi=2 { CD2:22.291 } atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } ::sumAvg: 3.495 atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } ::sumAvg: 4.675 atom: 368 35I-HG12 G1 1.084 ambi=2 { CG1:27.864 } atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } :: atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } ::sumAvg: 4.025 atom: 371 35I-HD1 D1 0.774 ambi=1 { CD1:14.146 } atom: 359 34G-H N 7.304 ambi=1 { N:106.991 } ::sumAvg: 4.96 atom: 360 34G-HA2 A 3.913 ambi=2 { CA:46.942 } atom: 368 35I-HG12 G1 1.084 ambi=2 { CG1:27.864 } :: atom: 360 34G-HA2 A 3.913 ambi=2 { CA:46.942 } atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } :: atom: 361 34G-HA3 A 3.894 ambi=2 { CA:46.942 } atom: 368 35I-HG12 G1 1.084 ambi=2 { CG1:27.864 } :: atom: 361 34G-HA3 A 3.894 ambi=2 { CA:46.942 } atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } ::sumAvg: 4.7 atom: 366 35I-HA A 4.061 ambi=1 { CA:62.095 } atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } ::sumAvg: 4.495 atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } atom: 366 35I-HA A 4.061 ambi=1 { CA:62.095 } ::sumAvg: 4.495 atom: 381 36D-HB2 B 3.105 ambi=2 { CB:42.454 } atom: 366 35I-HA A 4.061 ambi=1 { CA:62.095 } :: atom: 382 36D-HB3 B 2.737 ambi=2 { CB:42.454 } atom: 366 35I-HA A 4.061 ambi=1 { CA:62.095 } ::sumAvg: 4.55 atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } atom: 379 36D-H N 8.819 ambi=1 { N:127.369 } ::sumAvg: 4.31 atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } :: atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } ::sumAvg: 4.385 atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } ::sumAvg: 3.34 atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } ::sumAvg: 4.73 atom: 367 35I-HB B 1.679 ambi=1 { CB:37.746 } atom: 841 75F-QD D 7.14 ambi=3 { CD1:131.554 } ::sumAvg: 4.72 atom: 368 35I-HG12 G1 1.084 ambi=2 { CG1:27.864 } atom: 379 36D-H N 8.819 ambi=1 { N:127.369 } :: atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } atom: 379 36D-H N 8.819 ambi=1 { N:127.369 } ::sumAvg: 4.605 atom: 455 43I-HD1 D1 0.746 ambi=1 { CD1:15.513 } atom: 369 35I-HG13 G1 1.526 ambi=2 { CG1:27.864 } ::sumAvg: 3.35 atom: 370 35I-HG2 G2 0.736 ambi=1 { CG2:18.239 } atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } ::sumAvg: 4.105 atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } atom: 370 35I-HG2 G2 0.736 ambi=1 { CG2:18.239 } ::sumAvg: 4.105 atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } atom: 370 35I-HG2 G2 0.736 ambi=1 { CG2:18.239 } ::sumAvg: 4.395 atom: 370 35I-HG2 G2 0.736 ambi=1 { CG2:18.239 } atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } ::sumAvg: 3.87 atom: 370 35I-HG2 G2 0.736 ambi=1 { CG2:18.239 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } ::sumAvg: 4.575 atom: 371 35I-HD1 D1 0.774 ambi=1 { CD1:14.146 } atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } :: atom: 371 35I-HD1 D1 0.774 ambi=1 { CD1:14.146 } atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } ::sumAvg: 4.76 atom: 371 35I-HD1 D1 0.774 ambi=1 { CD1:14.146 } atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } ::sumAvg: 4.89 atom: 371 35I-HD1 D1 0.774 ambi=1 { CD1:14.146 } atom: 452 43I-HG12 G1 1.746 ambi=2 { CG1:29.373 } ::sumAvg: 3.99 atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } atom: 379 36D-H N 8.819 ambi=1 { N:127.369 } ::sumAvg: 2.855 atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } atom: 381 36D-HB2 B 3.105 ambi=2 { CB:42.454 } :: atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } atom: 382 36D-HB3 B 2.737 ambi=2 { CB:42.454 } ::sumAvg: 2.545 atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } atom: 387 37S-H N 8.367 ambi=1 { N:114.194 } ::sumAvg: 2.42 atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } ::sumAvg: 4.385 atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } ::sumAvg: 4.385 atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } ::sumAvg: 4.485 atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } ::sumAvg: 4.485 atom: 380 36D-HA A 4.784 ambi=1 { CA:52.708 } atom: 395 38L-H N 7.984 ambi=1 { N:122.81 } ::sumAvg: 4.06 atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } atom: 381 36D-HB2 B 3.105 ambi=2 { CB:42.454 } :: atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } atom: 382 36D-HB3 B 2.737 ambi=2 { CB:42.454 } ::sumAvg: 4.88 atom: 381 36D-HB2 B 3.105 ambi=2 { CB:42.454 } atom: 395 38L-H N 7.984 ambi=1 { N:122.81 } :: atom: 382 36D-HB3 B 2.737 ambi=2 { CB:42.454 } atom: 395 38L-H N 7.984 ambi=1 { N:122.81 } ::sumAvg: 2.66 atom: 397 38L-HB2 B 1.855 ambi=2 { CB:41.037 } atom: 381 36D-HB2 B 3.105 ambi=2 { CB:42.454 } :: atom: 398 38L-HB3 B 1.595 ambi=2 { CB:41.037 } atom: 381 36D-HB2 B 3.105 ambi=2 { CB:42.454 } :: atom: 397 38L-HB2 B 1.855 ambi=2 { CB:41.037 } atom: 382 36D-HB3 B 2.737 ambi=2 { CB:42.454 } :: atom: 398 38L-HB3 B 1.595 ambi=2 { CB:41.037 } atom: 382 36D-HB3 B 2.737 ambi=2 { CB:42.454 } ::sumAvg: 3.29 atom: 381 36D-HB2 B 3.105 ambi=2 { CB:42.454 } atom: 399 38L-HG G 1.693 ambi=1 { CG:27.283 } :: atom: 382 36D-HB3 B 2.737 ambi=2 { CB:42.454 } atom: 399 38L-HG G 1.693 ambi=1 { CG:27.283 } ::sumAvg: 3.67 atom: 399 38L-HG G 1.693 ambi=1 { CG:27.283 } atom: 381 36D-HB2 B 3.105 ambi=2 { CB:42.454 } :: atom: 399 38L-HG G 1.693 ambi=1 { CG:27.283 } atom: 382 36D-HB3 B 2.737 ambi=2 { CB:42.454 } ::sumAvg: 3.67 atom: 381 36D-HB2 B 3.105 ambi=2 { CB:42.454 } atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } :: atom: 382 36D-HB3 B 2.737 ambi=2 { CB:42.454 } atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } ::sumAvg: 4.515 atom: 399 38L-HG G 1.693 ambi=1 { CG:27.283 } atom: 387 37S-H N 8.367 ambi=1 { N:114.194 } ::sumAvg: 4.22 atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } atom: 387 37S-H N 8.367 ambi=1 { N:114.194 } :: atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } atom: 387 37S-H N 8.367 ambi=1 { N:114.194 } ::sumAvg: 4.875 atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } atom: 395 38L-H N 7.984 ambi=1 { N:122.81 } ::sumAvg: 3.495 atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } ::sumAvg: 3.48 atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } ::sumAvg: 4.455 atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } atom: 427 41L-H N 7.609 ambi=1 { N:118.773 } ::sumAvg: 4.545 atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } atom: 431 41L-HG G 1.862 ambi=1 { CG:26.888 } ::sumAvg: 4.805 atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } :: atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } ::sumAvg: 3.73 atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } ::sumAvg: 3.17 atom: 388 37S-HA A 4.074 ambi=1 { CA:62.573 } atom: 845 75F-HZ Z 7.018 ambi=1 { CZ:129.158 } ::sumAvg: 4.08 atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } atom: 399 38L-HG G 1.693 ambi=1 { CG:27.283 } ::sumAvg: 4.03 atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } atom: 400 38L-HD1 D1 0.943 ambi=2 { CD1:24.99 } :: atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } atom: 401 38L-HD2 D2 0.876 ambi=2 { CD2:23.57 } ::sumAvg: 3.565 atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } ::sumAvg: 4.97 atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } :: atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } ::sumAvg: 4.46 atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } :: atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } ::sumAvg: 4.46 atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } atom: 431 41L-HG G 1.862 ambi=1 { CG:26.888 } ::sumAvg: 4.74 atom: 431 41L-HG G 1.862 ambi=1 { CG:26.888 } atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } ::sumAvg: 4.74 atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } atom: 432 41L-HD1 D1 0.953 ambi=2 { CD1:25.172 } :: atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } atom: 433 41L-HD2 D2 0.894 ambi=2 { CD2:23.33 } ::sumAvg: 4.665 atom: 432 41L-HD1 D1 0.953 ambi=2 { CD1:25.172 } atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } :: atom: 433 41L-HD2 D2 0.894 ambi=2 { CD2:23.33 } atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } ::sumAvg: 4.665 atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } :: atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } ::sumAvg: 4.415 atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } :: atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } ::sumAvg: 4.415 atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } atom: 687 61T-HG2 G2 1.28 ambi=1 { CG2:21.524 } ::sumAvg: 3.125 atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } ::sumAvg: 4.3 atom: 390 37S-QB B 3.9055 ambi=2 { CB:62.776 } atom: 845 75F-HZ Z 7.018 ambi=1 { CZ:129.158 } ::sumAvg: 4.07 atom: 431 41L-HG G 1.862 ambi=1 { CG:26.888 } atom: 395 38L-H N 7.984 ambi=1 { N:122.81 } ::sumAvg: 4.745 atom: 396 38L-HA A 4.229 ambi=1 { CA:57.782 } atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } ::sumAvg: 4.225 atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } atom: 396 38L-HA A 4.229 ambi=1 { CA:57.782 } :: atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } atom: 396 38L-HA A 4.229 ambi=1 { CA:57.782 } ::sumAvg: 4.975 atom: 397 38L-HB2 B 1.855 ambi=2 { CB:41.037 } atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } :: atom: 398 38L-HB3 B 1.595 ambi=2 { CB:41.037 } atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } ::sumAvg: 4.83 atom: 431 41L-HG G 1.862 ambi=1 { CG:26.888 } atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } ::sumAvg: 4.33 atom: 452 43I-HG12 G1 1.746 ambi=2 { CG1:29.373 } atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } :: atom: 453 43I-HG13 G1 0.777 ambi=2 { CG1:29.373 } atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } ::sumAvg: 4.835 atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } :: atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } atom: 409 40F-H N 8.599 ambi=1 { N:118.784 } ::sumAvg: 4.465 atom: 410 40F-HA A 4.063 ambi=1 { CA:61.721 } atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } ::sumAvg: 4.555 atom: 410 40F-HA A 4.063 ambi=1 { CA:61.721 } atom: 427 41L-H N 7.609 ambi=1 { N:118.773 } ::sumAvg: 3.485 atom: 410 40F-HA A 4.063 ambi=1 { CA:61.721 } atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } ::sumAvg: 4.09 atom: 410 40F-HA A 4.063 ambi=1 { CA:61.721 } atom: 443 42D-HB2 B 2.873 ambi=2 { CB:40.204 } :: atom: 410 40F-HA A 4.063 ambi=1 { CA:61.721 } atom: 444 42D-HB3 B 2.622 ambi=2 { CB:40.204 } ::sumAvg: 4.86 atom: 443 42D-HB2 B 2.873 ambi=2 { CB:40.204 } atom: 410 40F-HA A 4.063 ambi=1 { CA:61.721 } :: atom: 444 42D-HB3 B 2.622 ambi=2 { CB:40.204 } atom: 410 40F-HA A 4.063 ambi=1 { CA:61.721 } ::sumAvg: 4.86 atom: 410 40F-HA A 4.063 ambi=1 { CA:61.721 } atom: 449 43I-H N 8.081 ambi=1 { N:122.578 } ::sumAvg: 3.01 atom: 410 40F-HA A 4.063 ambi=1 { CA:61.721 } atom: 450 43I-HA A 3.534 ambi=1 { CA:65.135 } ::sumAvg: 4.935 atom: 410 40F-HA A 4.063 ambi=1 { CA:61.721 } atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } ::sumAvg: 3.88 atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 410 40F-HA A 4.063 ambi=1 { CA:61.721 } ::sumAvg: 4.785 atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } :: atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } ::sumAvg: 4.345 atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } :: atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } ::sumAvg: 4.345 atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } atom: 431 41L-HG G 1.862 ambi=1 { CG:26.888 } :: atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } atom: 431 41L-HG G 1.862 ambi=1 { CG:26.888 } ::sumAvg: 4.36 atom: 431 41L-HG G 1.862 ambi=1 { CG:26.888 } atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } :: atom: 431 41L-HG G 1.862 ambi=1 { CG:26.888 } atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } ::sumAvg: 4.36 atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } :: atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } ::sumAvg: 4.685 atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } :: atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } ::sumAvg: 4.685 atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } :: atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } ::sumAvg: 4.61 atom: 626 57L-HG G 1.452 ambi=1 { CG:27.081 } atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } :: atom: 626 57L-HG G 1.452 ambi=1 { CG:27.081 } atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } ::sumAvg: 4.985 atom: 411 40F-HB2 B 3.163 ambi=2 { CB:38.465 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } :: atom: 412 40F-HB3 B 3.075 ambi=2 { CB:38.465 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } ::sumAvg: 2.975 atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } ::sumAvg: 4.11 atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } ::sumAvg: 3.47 atom: 452 43I-HG12 G1 1.746 ambi=2 { CG1:29.373 } atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } :: atom: 453 43I-HG13 G1 0.777 ambi=2 { CG1:29.373 } atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } ::sumAvg: 4.55 atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } ::sumAvg: 4.795 atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } ::sumAvg: 2.745 atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } :: atom: 625 57L-HB3 B 1.328 ambi=2 { CB:42.124 } atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } ::sumAvg: 3.975 atom: 626 57L-HG G 1.452 ambi=1 { CG:27.081 } atom: 413 40F-QD D 7.153 ambi=3 { CD1:131.871 } ::sumAvg: 4.2 atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } ::sumAvg: 3.98 atom: 455 43I-HD1 D1 0.746 ambi=1 { CD1:15.513 } atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } ::sumAvg: 3.315 atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } ::sumAvg: 4.18 atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } ::sumAvg: 3.035 atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } :: atom: 625 57L-HB3 B 1.328 ambi=2 { CB:42.124 } atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } ::sumAvg: 4.25 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } ::sumAvg: 4.68 atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } ::sumAvg: 4.86 atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } atom: 415 40F-QE E 7.013 ambi=3 { CE1:129.999 } ::sumAvg: 4.675 atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } atom: 417 40F-HZ Z 7.006 ambi=1 { CZ:128.33 } ::sumAvg: 4.87 atom: 455 43I-HD1 D1 0.746 ambi=1 { CD1:15.513 } atom: 417 40F-HZ Z 7.006 ambi=1 { CZ:128.33 } ::sumAvg: 4.435 atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 417 40F-HZ Z 7.006 ambi=1 { CZ:128.33 } ::sumAvg: 4.935 atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } atom: 417 40F-HZ Z 7.006 ambi=1 { CZ:128.33 } ::sumAvg: 4.015 atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } atom: 417 40F-HZ Z 7.006 ambi=1 { CZ:128.33 } ::sumAvg: 4.215 atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 427 41L-H N 7.609 ambi=1 { N:118.773 } ::sumAvg: 4.72 atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } atom: 431 41L-HG G 1.862 ambi=1 { CG:26.888 } ::sumAvg: 3.05 atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } ::sumAvg: 3.54 atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } atom: 442 42D-HA A 4.593 ambi=1 { CA:57.654 } ::sumAvg: 4.83 atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } atom: 449 43I-H N 8.081 ambi=1 { N:122.578 } ::sumAvg: 4.49 atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } ::sumAvg: 3.69 atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } ::sumAvg: 2.83 atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } atom: 470 45F-H N 8.083 ambi=1 { N:117.182 } ::sumAvg: 4.255 atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } atom: 472 45F-HB2 B 3.314 ambi=2 { CB:38.743 } :: atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } atom: 473 45F-HB3 B 3.288 ambi=2 { CB:38.743 } ::sumAvg: 4.965 atom: 472 45F-HB2 B 3.314 ambi=2 { CB:38.743 } atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } :: atom: 473 45F-HB3 B 3.288 ambi=2 { CB:38.743 } atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } ::sumAvg: 4.965 atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } :: atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } atom: 625 57L-HB3 B 1.328 ambi=2 { CB:42.124 } ::sumAvg: 4.26 atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } :: atom: 625 57L-HB3 B 1.328 ambi=2 { CB:42.124 } atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } ::sumAvg: 4.26 atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } atom: 626 57L-HG G 1.452 ambi=1 { CG:27.081 } ::sumAvg: 4.965 atom: 626 57L-HG G 1.452 ambi=1 { CG:27.081 } atom: 428 41L-HA A 3.995 ambi=1 { CA:58.283 } ::sumAvg: 4.965 atom: 429 41L-HB2 B 1.958 ambi=2 { CB:41.096 } atom: 442 42D-HA A 4.593 ambi=1 { CA:57.654 } :: atom: 430 41L-HB3 B 1.559 ambi=2 { CB:41.096 } atom: 442 42D-HA A 4.593 ambi=1 { CA:57.654 } ::sumAvg: 4.425 atom: 429 41L-HB2 B 1.958 ambi=2 { CB:41.096 } atom: 443 42D-HB2 B 2.873 ambi=2 { CB:40.204 } :: atom: 429 41L-HB2 B 1.958 ambi=2 { CB:41.096 } atom: 444 42D-HB3 B 2.622 ambi=2 { CB:40.204 } :: atom: 430 41L-HB3 B 1.559 ambi=2 { CB:41.096 } atom: 443 42D-HB2 B 2.873 ambi=2 { CB:40.204 } :: atom: 430 41L-HB3 B 1.559 ambi=2 { CB:41.096 } atom: 444 42D-HB3 B 2.622 ambi=2 { CB:40.204 } ::sumAvg: 4.535 atom: 443 42D-HB2 B 2.873 ambi=2 { CB:40.204 } atom: 429 41L-HB2 B 1.958 ambi=2 { CB:41.096 } :: atom: 444 42D-HB3 B 2.622 ambi=2 { CB:40.204 } atom: 429 41L-HB2 B 1.958 ambi=2 { CB:41.096 } :: atom: 443 42D-HB2 B 2.873 ambi=2 { CB:40.204 } atom: 430 41L-HB3 B 1.559 ambi=2 { CB:41.096 } :: atom: 444 42D-HB3 B 2.622 ambi=2 { CB:40.204 } atom: 430 41L-HB3 B 1.559 ambi=2 { CB:41.096 } ::sumAvg: 4.535 atom: 429 41L-HB2 B 1.958 ambi=2 { CB:41.096 } atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } ::sumAvg: 4.695 atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 429 41L-HB2 B 1.958 ambi=2 { CB:41.096 } ::sumAvg: 4.695 atom: 429 41L-HB2 B 1.958 ambi=2 { CB:41.096 } atom: 472 45F-HB2 B 3.314 ambi=2 { CB:38.743 } :: atom: 429 41L-HB2 B 1.958 ambi=2 { CB:41.096 } atom: 473 45F-HB3 B 3.288 ambi=2 { CB:38.743 } :: atom: 430 41L-HB3 B 1.559 ambi=2 { CB:41.096 } atom: 472 45F-HB2 B 3.314 ambi=2 { CB:38.743 } :: atom: 430 41L-HB3 B 1.559 ambi=2 { CB:41.096 } atom: 473 45F-HB3 B 3.288 ambi=2 { CB:38.743 } ::sumAvg: 4.795 atom: 472 45F-HB2 B 3.314 ambi=2 { CB:38.743 } atom: 429 41L-HB2 B 1.958 ambi=2 { CB:41.096 } :: atom: 473 45F-HB3 B 3.288 ambi=2 { CB:38.743 } atom: 429 41L-HB2 B 1.958 ambi=2 { CB:41.096 } :: atom: 472 45F-HB2 B 3.314 ambi=2 { CB:38.743 } atom: 430 41L-HB3 B 1.559 ambi=2 { CB:41.096 } :: atom: 473 45F-HB3 B 3.288 ambi=2 { CB:38.743 } atom: 430 41L-HB3 B 1.559 ambi=2 { CB:41.096 } ::sumAvg: 4.795 atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } atom: 429 41L-HB2 B 1.958 ambi=2 { CB:41.096 } :: atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } atom: 429 41L-HB2 B 1.958 ambi=2 { CB:41.096 } :: atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } atom: 430 41L-HB3 B 1.559 ambi=2 { CB:41.096 } :: atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } atom: 430 41L-HB3 B 1.559 ambi=2 { CB:41.096 } ::sumAvg: 4.105 atom: 431 41L-HG G 1.862 ambi=1 { CG:26.888 } atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } ::sumAvg: 4.49 atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } atom: 431 41L-HG G 1.862 ambi=1 { CG:26.888 } :: atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } atom: 431 41L-HG G 1.862 ambi=1 { CG:26.888 } ::sumAvg: 2.98 atom: 432 41L-HD1 D1 0.953 ambi=2 { CD1:25.172 } atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } :: atom: 433 41L-HD2 D2 0.894 ambi=2 { CD2:23.33 } atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } ::sumAvg: 3.7 atom: 432 41L-HD1 D1 0.953 ambi=2 { CD1:25.172 } atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } :: atom: 433 41L-HD2 D2 0.894 ambi=2 { CD2:23.33 } atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } :: atom: 433 41L-HD2 D2 0.894 ambi=2 { CD2:23.33 } atom: 625 57L-HB3 B 1.328 ambi=2 { CB:42.124 } ::sumAvg: 3.205 atom: 432 41L-HD1 D1 0.953 ambi=2 { CD1:25.172 } atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } :: atom: 433 41L-HD2 D2 0.894 ambi=2 { CD2:23.33 } atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } ::sumAvg: 4.76 atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } atom: 432 41L-HD1 D1 0.953 ambi=2 { CD1:25.172 } :: atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } atom: 433 41L-HD2 D2 0.894 ambi=2 { CD2:23.33 } ::sumAvg: 4.68 atom: 638 58E-QB B 1.9595 ambi=2 { CB:28.669 } atom: 432 41L-HD1 D1 0.953 ambi=2 { CD1:25.172 } :: atom: 638 58E-QB B 1.9595 ambi=2 { CB:28.669 } atom: 433 41L-HD2 D2 0.894 ambi=2 { CD2:23.33 } ::sumAvg: 4.45 atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } ::sumAvg: 4.73 atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 441 42D-H N 7.328 ambi=1 { N:119.638 } ::sumAvg: 4.89 atom: 450 43I-HA A 3.534 ambi=1 { CA:65.135 } atom: 442 42D-HA A 4.593 ambi=1 { CA:57.654 } ::sumAvg: 4.88 atom: 442 42D-HA A 4.593 ambi=1 { CA:57.654 } atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } ::sumAvg: 4.515 atom: 442 42D-HA A 4.593 ambi=1 { CA:57.654 } atom: 488 46A-H N 7.747 ambi=1 { N:121.475 } ::sumAvg: 4.28 atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } atom: 442 42D-HA A 4.593 ambi=1 { CA:57.654 } ::sumAvg: 4.855 atom: 443 42D-HB2 B 2.873 ambi=2 { CB:40.204 } atom: 450 43I-HA A 3.534 ambi=1 { CA:65.135 } :: atom: 444 42D-HB3 B 2.622 ambi=2 { CB:40.204 } atom: 450 43I-HA A 3.534 ambi=1 { CA:65.135 } ::sumAvg: 4.29 atom: 450 43I-HA A 3.534 ambi=1 { CA:65.135 } atom: 443 42D-HB2 B 2.873 ambi=2 { CB:40.204 } :: atom: 450 43I-HA A 3.534 ambi=1 { CA:65.135 } atom: 444 42D-HB3 B 2.622 ambi=2 { CB:40.204 } ::sumAvg: 4.29 atom: 443 42D-HB2 B 2.873 ambi=2 { CB:40.204 } atom: 452 43I-HG12 G1 1.746 ambi=2 { CG1:29.373 } :: atom: 443 42D-HB2 B 2.873 ambi=2 { CB:40.204 } atom: 453 43I-HG13 G1 0.777 ambi=2 { CG1:29.373 } :: atom: 444 42D-HB3 B 2.622 ambi=2 { CB:40.204 } atom: 452 43I-HG12 G1 1.746 ambi=2 { CG1:29.373 } :: atom: 444 42D-HB3 B 2.622 ambi=2 { CB:40.204 } atom: 453 43I-HG13 G1 0.777 ambi=2 { CG1:29.373 } ::sumAvg: 3.61 atom: 443 42D-HB2 B 2.873 ambi=2 { CB:40.204 } atom: 455 43I-HD1 D1 0.746 ambi=1 { CD1:15.513 } :: atom: 444 42D-HB3 B 2.622 ambi=2 { CB:40.204 } atom: 455 43I-HD1 D1 0.746 ambi=1 { CD1:15.513 } ::sumAvg: 4.98 atom: 455 43I-HD1 D1 0.746 ambi=1 { CD1:15.513 } atom: 443 42D-HB2 B 2.873 ambi=2 { CB:40.204 } :: atom: 455 43I-HD1 D1 0.746 ambi=1 { CD1:15.513 } atom: 444 42D-HB3 B 2.622 ambi=2 { CB:40.204 } ::sumAvg: 4.98 atom: 443 42D-HB2 B 2.873 ambi=2 { CB:40.204 } atom: 472 45F-HB2 B 3.314 ambi=2 { CB:38.743 } :: atom: 443 42D-HB2 B 2.873 ambi=2 { CB:40.204 } atom: 473 45F-HB3 B 3.288 ambi=2 { CB:38.743 } :: atom: 444 42D-HB3 B 2.622 ambi=2 { CB:40.204 } atom: 472 45F-HB2 B 3.314 ambi=2 { CB:38.743 } :: atom: 444 42D-HB3 B 2.622 ambi=2 { CB:40.204 } atom: 473 45F-HB3 B 3.288 ambi=2 { CB:38.743 } ::sumAvg: 4.94 atom: 450 43I-HA A 3.534 ambi=1 { CA:65.135 } atom: 495 47I-H N 8.971 ambi=1 { N:122.752 } ::sumAvg: 4.295 atom: 450 43I-HA A 3.534 ambi=1 { CA:65.135 } atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } :: atom: 450 43I-HA A 3.534 ambi=1 { CA:65.135 } atom: 499 47I-HG13 G1 1.052 ambi=2 { CG1:30.491 } ::sumAvg: 4.155 atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } atom: 450 43I-HA A 3.534 ambi=1 { CA:65.135 } :: atom: 499 47I-HG13 G1 1.052 ambi=2 { CG1:30.491 } atom: 450 43I-HA A 3.534 ambi=1 { CA:65.135 } ::sumAvg: 4.155 atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } atom: 501 47I-HD1 D1 0.847 ambi=1 { CD1:14.823 } ::sumAvg: 3.835 atom: 501 47I-HD1 D1 0.847 ambi=1 { CD1:14.823 } atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } ::sumAvg: 3.835 atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } :: atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } atom: 451 43I-HB B 1.752 ambi=1 { CB:37.79 } ::sumAvg: 4.97 atom: 452 43I-HG12 G1 1.746 ambi=2 { CG1:29.373 } atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } ::sumAvg: 2.495 atom: 452 43I-HG12 G1 1.746 ambi=2 { CG1:29.373 } atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } :: atom: 453 43I-HG13 G1 0.777 ambi=2 { CG1:29.373 } atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } ::sumAvg: 4.165 atom: 453 43I-HG13 G1 0.777 ambi=2 { CG1:29.373 } atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } ::sumAvg: 4.765 atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } ::sumAvg: 3.39 atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } ::sumAvg: 3.935 atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } atom: 488 46A-H N 7.747 ambi=1 { N:121.475 } ::sumAvg: 4.745 atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } ::sumAvg: 3.77 atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } ::sumAvg: 4.185 atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } ::sumAvg: 2.89 atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } ::sumAvg: 3.095 atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } atom: 454 43I-HG2 G2 0.69 ambi=1 { CG2:16.977 } ::sumAvg: 3.095 atom: 455 43I-HD1 D1 0.746 ambi=1 { CD1:15.513 } atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } ::sumAvg: 4.55 atom: 472 45F-HB2 B 3.314 ambi=2 { CB:38.743 } atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } :: atom: 473 45F-HB3 B 3.288 ambi=2 { CB:38.743 } atom: 463 44A-H N 8.841 ambi=1 { N:122.55 } ::sumAvg: 4.775 atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } atom: 470 45F-H N 8.083 ambi=1 { N:117.182 } ::sumAvg: 3.51 atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } atom: 471 45F-HA A 4.489 ambi=1 { CA:60.619 } ::sumAvg: 4.84 atom: 471 45F-HA A 4.489 ambi=1 { CA:60.619 } atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } ::sumAvg: 4.84 atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } atom: 488 46A-H N 7.747 ambi=1 { N:121.475 } ::sumAvg: 4.525 atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } :: atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } atom: 499 47I-HG13 G1 1.052 ambi=2 { CG1:30.491 } ::sumAvg: 3.685 atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } :: atom: 499 47I-HG13 G1 1.052 ambi=2 { CG1:30.491 } atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } ::sumAvg: 3.685 atom: 500 47I-HG2 G2 0.98 ambi=1 { CG2:17.873 } atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } ::sumAvg: 3.86 atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } :: atom: 625 57L-HB3 B 1.328 ambi=2 { CB:42.124 } atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } ::sumAvg: 4.94 atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } :: atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } atom: 464 44A-HA A 3.851 ambi=1 { CA:55.667 } ::sumAvg: 4.87 atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 471 45F-HA A 4.489 ambi=1 { CA:60.619 } ::sumAvg: 3.92 atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 472 45F-HB2 B 3.314 ambi=2 { CB:38.743 } :: atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 473 45F-HB3 B 3.288 ambi=2 { CB:38.743 } ::sumAvg: 4.05 atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 488 46A-H N 7.747 ambi=1 { N:121.475 } ::sumAvg: 4.64 atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 495 47I-H N 8.971 ambi=1 { N:122.752 } ::sumAvg: 4.66 atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } ::sumAvg: 4.06 atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 500 47I-HG2 G2 0.98 ambi=1 { CG2:17.873 } ::sumAvg: 4.625 atom: 500 47I-HG2 G2 0.98 ambi=1 { CG2:17.873 } atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } ::sumAvg: 4.625 atom: 501 47I-HD1 D1 0.847 ambi=1 { CD1:14.823 } atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } ::sumAvg: 3.625 atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } ::sumAvg: 4.65 atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } ::sumAvg: 4.825 atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } ::sumAvg: 4.825 atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 599 55L-HB3 B 0.994 ambi=2 { CB:42.026 } ::sumAvg: 2.915 atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } ::sumAvg: 4.6 atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } atom: 465 44A-HB B 1.497 ambi=1 { CB:18.29 } ::sumAvg: 4.6 atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } atom: 470 45F-H N 8.083 ambi=1 { N:117.182 } ::sumAvg: 4.925 atom: 471 45F-HA A 4.489 ambi=1 { CA:60.619 } atom: 521 49K-HG2 G 1.381 ambi=2 { CG:24.56 } :: atom: 471 45F-HA A 4.489 ambi=1 { CA:60.619 } atom: 522 49K-HG3 G 1.322 ambi=2 { CG:24.56 } ::sumAvg: 4.395 atom: 521 49K-HG2 G 1.381 ambi=2 { CG:24.56 } atom: 471 45F-HA A 4.489 ambi=1 { CA:60.619 } :: atom: 522 49K-HG3 G 1.322 ambi=2 { CG:24.56 } atom: 471 45F-HA A 4.489 ambi=1 { CA:60.619 } ::sumAvg: 4.395 atom: 472 45F-HB2 B 3.314 ambi=2 { CB:38.743 } atom: 489 46A-HA A 4.169 ambi=1 { CA:55.042 } :: atom: 473 45F-HB3 B 3.288 ambi=2 { CB:38.743 } atom: 489 46A-HA A 4.169 ambi=1 { CA:55.042 } ::sumAvg: 4.315 atom: 472 45F-HB2 B 3.314 ambi=2 { CB:38.743 } atom: 495 47I-H N 8.971 ambi=1 { N:122.752 } :: atom: 473 45F-HB3 B 3.288 ambi=2 { CB:38.743 } atom: 495 47I-H N 8.971 ambi=1 { N:122.752 } ::sumAvg: 4.97 atom: 524 49K-QD D 1.5895 ambi=2 { CD:29.015 } atom: 472 45F-HB2 B 3.314 ambi=2 { CB:38.743 } :: atom: 524 49K-QD D 1.5895 ambi=2 { CD:29.015 } atom: 473 45F-HB3 B 3.288 ambi=2 { CB:38.743 } ::sumAvg: 4.745 atom: 489 46A-HA A 4.169 ambi=1 { CA:55.042 } atom: 474 45F-QD D 7.3865 ambi=3 { CD1:131.804 } ::sumAvg: 3.85 atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } atom: 474 45F-QD D 7.3865 ambi=3 { CD1:131.804 } ::sumAvg: 3.865 atom: 521 49K-HG2 G 1.381 ambi=2 { CG:24.56 } atom: 474 45F-QD D 7.3865 ambi=3 { CD1:131.804 } :: atom: 522 49K-HG3 G 1.322 ambi=2 { CG:24.56 } atom: 474 45F-QD D 7.3865 ambi=3 { CD1:131.804 } ::sumAvg: 4.15 atom: 521 49K-HG2 G 1.381 ambi=2 { CG:24.56 } atom: 476 45F-QE E 7.37 ambi=3 { CE1:131.127 } :: atom: 522 49K-HG3 G 1.322 ambi=2 { CG:24.56 } atom: 476 45F-QE E 7.37 ambi=3 { CE1:131.127 } ::sumAvg: 4.44 atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } atom: 488 46A-H N 7.747 ambi=1 { N:121.475 } ::sumAvg: 4.64 atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } atom: 488 46A-H N 7.747 ambi=1 { N:121.475 } :: atom: 499 47I-HG13 G1 1.052 ambi=2 { CG1:30.491 } atom: 488 46A-H N 7.747 ambi=1 { N:121.475 } ::sumAvg: 4.47 atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } atom: 488 46A-H N 7.747 ambi=1 { N:121.475 } ::sumAvg: 4.815 atom: 521 49K-HG2 G 1.381 ambi=2 { CG:24.56 } atom: 489 46A-HA A 4.169 ambi=1 { CA:55.042 } :: atom: 522 49K-HG3 G 1.322 ambi=2 { CG:24.56 } atom: 489 46A-HA A 4.169 ambi=1 { CA:55.042 } ::sumAvg: 3.545 atom: 489 46A-HA A 4.169 ambi=1 { CA:55.042 } atom: 536 50A-HB B 1.239 ambi=1 { CB:19.174 } ::sumAvg: 4.415 atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } ::sumAvg: 4.015 atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } ::sumAvg: 4.015 atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } ::sumAvg: 4.62 atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } ::sumAvg: 4.62 atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } :: atom: 499 47I-HG13 G1 1.052 ambi=2 { CG1:30.491 } atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } ::sumAvg: 3.4 atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } atom: 525 49K-HE2 E 2.894 ambi=2 { CE:42.055 } :: atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } atom: 526 49K-HE3 E 2.805 ambi=2 { CE:42.055 } ::sumAvg: 4.895 atom: 490 46A-HB B 1.611 ambi=1 { CB:19.219 } atom: 534 50A-H N 8.152 ambi=1 { N:120.932 } ::sumAvg: 4.52 atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } ::sumAvg: 3.04 atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } ::sumAvg: 3.04 atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } atom: 501 47I-HD1 D1 0.847 ambi=1 { CD1:14.823 } ::sumAvg: 3.86 atom: 501 47I-HD1 D1 0.847 ambi=1 { CD1:14.823 } atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } ::sumAvg: 3.86 atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } ::sumAvg: 4.93 atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } ::sumAvg: 4.93 atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } atom: 543 51F-HB2 B 3.053 ambi=2 { CB:40.494 } :: atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } atom: 544 51F-HB3 B 2.776 ambi=2 { CB:40.494 } ::sumAvg: 4.455 atom: 543 51F-HB2 B 3.053 ambi=2 { CB:40.494 } atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } :: atom: 544 51F-HB3 B 2.776 ambi=2 { CB:40.494 } atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } ::sumAvg: 4.455 atom: 571 53I-HD1 D1 0.734 ambi=1 { CD1:15.554 } atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } ::sumAvg: 4.83 atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } ::sumAvg: 4.885 atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } ::sumAvg: 4.885 atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } ::sumAvg: 4.685 atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } atom: 496 47I-HA A 3.78 ambi=1 { CA:65.971 } ::sumAvg: 4.685 atom: 499 47I-HG13 G1 1.052 ambi=2 { CG1:30.491 } atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } ::sumAvg: 2.54 atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } ::sumAvg: 4.56 atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } ::sumAvg: 4.56 atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } ::sumAvg: 4.545 atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } ::sumAvg: 4.545 atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } ::sumAvg: 4.825 atom: 598 55L-HB2 B 1.617 ambi=2 { CB:42.026 } atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } :: atom: 599 55L-HB3 B 0.994 ambi=2 { CB:42.026 } atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } ::sumAvg: 3.865 atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } ::sumAvg: 3.99 atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } atom: 497 47I-HB B 2.165 ambi=1 { CB:37.996 } ::sumAvg: 3.99 atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } atom: 500 47I-HG2 G2 0.98 ambi=1 { CG2:17.873 } ::sumAvg: 2.415 atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } atom: 546 51F-QD D 7.5955 ambi=3 { CD1:132.829 } :: atom: 499 47I-HG13 G1 1.052 ambi=2 { CG1:30.491 } atom: 546 51F-QD D 7.5955 ambi=3 { CD1:132.829 } ::sumAvg: 3.645 atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } :: atom: 499 47I-HG13 G1 1.052 ambi=2 { CG1:30.491 } atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } ::sumAvg: 2.43 atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } :: atom: 499 47I-HG13 G1 1.052 ambi=2 { CG1:30.491 } atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } ::sumAvg: 4.43 atom: 601 55L-HD1 D1 0.869 ambi=2 { CD1:25.768 } atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } :: atom: 602 55L-HD2 D2 0.765 ambi=2 { CD2:24.158 } atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } ::sumAvg: 4.155 atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } :: atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } ::sumAvg: 4.975 atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } :: atom: 499 47I-HG13 G1 1.052 ambi=2 { CG1:30.491 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } ::sumAvg: 4.08 atom: 498 47I-HG12 G1 2.088 ambi=2 { CG1:30.491 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } :: atom: 499 47I-HG13 G1 1.052 ambi=2 { CG1:30.491 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } ::sumAvg: 3.06 atom: 500 47I-HG2 G2 0.98 ambi=1 { CG2:17.873 } atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } ::sumAvg: 4.505 atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } atom: 500 47I-HG2 G2 0.98 ambi=1 { CG2:17.873 } ::sumAvg: 4.505 atom: 500 47I-HG2 G2 0.98 ambi=1 { CG2:17.873 } atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } ::sumAvg: 4.275 atom: 500 47I-HG2 G2 0.98 ambi=1 { CG2:17.873 } atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } ::sumAvg: 4.995 atom: 500 47I-HG2 G2 0.98 ambi=1 { CG2:17.873 } atom: 568 53I-HG12 G1 1.407 ambi=2 { CG1:24.894 } ::sumAvg: 3.065 atom: 500 47I-HG2 G2 0.98 ambi=1 { CG2:17.873 } atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } ::sumAvg: 4.305 atom: 500 47I-HG2 G2 0.98 ambi=1 { CG2:17.873 } atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } ::sumAvg: 4.01 atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } atom: 500 47I-HG2 G2 0.98 ambi=1 { CG2:17.873 } ::sumAvg: 4.01 atom: 500 47I-HG2 G2 0.98 ambi=1 { CG2:17.873 } atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } ::sumAvg: 4.965 atom: 501 47I-HD1 D1 0.847 ambi=1 { CD1:14.823 } atom: 598 55L-HB2 B 1.617 ambi=2 { CB:42.026 } ::sumAvg: 4.5 atom: 501 47I-HD1 D1 0.847 ambi=1 { CD1:14.823 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } ::sumAvg: 4.845 atom: 501 47I-HD1 D1 0.847 ambi=1 { CD1:14.823 } atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } ::sumAvg: 3.64 atom: 501 47I-HD1 D1 0.847 ambi=1 { CD1:14.823 } atom: 954 84I-HB B 1.726 ambi=1 { CB:37.687 } ::sumAvg: 4.96 atom: 954 84I-HB B 1.726 ambi=1 { CB:37.687 } atom: 501 47I-HD1 D1 0.847 ambi=1 { CD1:14.823 } ::sumAvg: 4.96 atom: 501 47I-HD1 D1 0.847 ambi=1 { CD1:14.823 } atom: 955 84I-HG12 G1 1.78 ambi=2 { CG1:29.885 } ::sumAvg: 3.48 atom: 955 84I-HG12 G1 1.78 ambi=2 { CG1:29.885 } atom: 501 47I-HD1 D1 0.847 ambi=1 { CD1:14.823 } ::sumAvg: 3.48 atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } atom: 501 47I-HD1 D1 0.847 ambi=1 { CD1:14.823 } ::sumAvg: 3.795 atom: 521 49K-HG2 G 1.381 ambi=2 { CG:24.56 } atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } :: atom: 522 49K-HG3 G 1.322 ambi=2 { CG:24.56 } atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } ::sumAvg: 4.45 atom: 568 53I-HG12 G1 1.407 ambi=2 { CG1:24.894 } atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } :: atom: 569 53I-HG13 G1 0.979 ambi=2 { CG1:24.894 } atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } ::sumAvg: 4.86 atom: 598 55L-HB2 B 1.617 ambi=2 { CB:42.026 } atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } :: atom: 599 55L-HB3 B 0.994 ambi=2 { CB:42.026 } atom: 509 48D-H N 8.987 ambi=1 { N:123.76 } ::sumAvg: 4.43 atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } atom: 541 51F-H N 8.62 ambi=1 { N:111.445 } ::sumAvg: 4.505 atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } atom: 543 51F-HB2 B 3.053 ambi=2 { CB:40.494 } :: atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } atom: 544 51F-HB3 B 2.776 ambi=2 { CB:40.494 } ::sumAvg: 4.395 atom: 543 51F-HB2 B 3.053 ambi=2 { CB:40.494 } atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } :: atom: 544 51F-HB3 B 2.776 ambi=2 { CB:40.494 } atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } ::sumAvg: 4.395 atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } atom: 561 52G-HA3 A 3.892 ambi=2 { CA:47.293 } ::sumAvg: 4.885 atom: 561 52G-HA3 A 3.892 ambi=2 { CA:47.293 } atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } ::sumAvg: 4.885 atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } ::sumAvg: 4.93 atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } ::sumAvg: 4.93 atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } ::sumAvg: 3.7 atom: 598 55L-HB2 B 1.617 ambi=2 { CB:42.026 } atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } :: atom: 599 55L-HB3 B 0.994 ambi=2 { CB:42.026 } atom: 510 48D-HA A 4.378 ambi=1 { CA:57.704 } ::sumAvg: 4.125 atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } atom: 518 49K-HA A 4.01 ambi=1 { CA:58.622 } ::sumAvg: 3.99 atom: 518 49K-HA A 4.01 ambi=1 { CA:58.622 } atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } ::sumAvg: 3.99 atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } atom: 519 49K-QB B 1.7595 ambi=2 { CB:32.566 } ::sumAvg: 4.27 atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } atom: 524 49K-QD D 1.5895 ambi=2 { CD:29.015 } ::sumAvg: 4.545 atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } atom: 534 50A-H N 8.152 ambi=1 { N:120.932 } ::sumAvg: 4.73 atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } atom: 565 53I-H N 7.476 ambi=1 { N:110.687 } ::sumAvg: 4.55 atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } atom: 568 53I-HG12 G1 1.407 ambi=2 { CG1:24.894 } :: atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } atom: 569 53I-HG13 G1 0.979 ambi=2 { CG1:24.894 } ::sumAvg: 4.71 atom: 568 53I-HG12 G1 1.407 ambi=2 { CG1:24.894 } atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } :: atom: 569 53I-HG13 G1 0.979 ambi=2 { CG1:24.894 } atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } ::sumAvg: 4.71 atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } ::sumAvg: 3.8 atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } atom: 598 55L-HB2 B 1.617 ambi=2 { CB:42.026 } :: atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } atom: 599 55L-HB3 B 0.994 ambi=2 { CB:42.026 } ::sumAvg: 4.185 atom: 598 55L-HB2 B 1.617 ambi=2 { CB:42.026 } atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } :: atom: 599 55L-HB3 B 0.994 ambi=2 { CB:42.026 } atom: 512 48D-QB B 2.856 ambi=2 { CB:39.803 } ::sumAvg: 4.185 atom: 525 49K-HE2 E 2.894 ambi=2 { CE:42.055 } atom: 517 49K-H N 7.593 ambi=1 { N:117.466 } :: atom: 526 49K-HE3 E 2.805 ambi=2 { CE:42.055 } atom: 517 49K-H N 7.593 ambi=1 { N:117.466 } ::sumAvg: 4.66 atom: 525 49K-HE2 E 2.894 ambi=2 { CE:42.055 } atom: 518 49K-HA A 4.01 ambi=1 { CA:58.622 } :: atom: 526 49K-HE3 E 2.805 ambi=2 { CE:42.055 } atom: 518 49K-HA A 4.01 ambi=1 { CA:58.622 } ::sumAvg: 4.735 atom: 518 49K-HA A 4.01 ambi=1 { CA:58.622 } atom: 541 51F-H N 8.62 ambi=1 { N:111.445 } ::sumAvg: 4.98 atom: 525 49K-HE2 E 2.894 ambi=2 { CE:42.055 } atom: 519 49K-QB B 1.7595 ambi=2 { CB:32.566 } :: atom: 526 49K-HE3 E 2.805 ambi=2 { CE:42.055 } atom: 519 49K-QB B 1.7595 ambi=2 { CB:32.566 } ::sumAvg: 3.015 atom: 519 49K-QB B 1.7595 ambi=2 { CB:32.566 } atom: 536 50A-HB B 1.239 ambi=1 { CB:19.174 } ::sumAvg: 3.715 atom: 519 49K-QB B 1.7595 ambi=2 { CB:32.566 } atom: 541 51F-H N 8.62 ambi=1 { N:111.445 } ::sumAvg: 4.98 atom: 535 50A-HA A 4.015 ambi=1 { CA:54.658 } atom: 542 51F-HA A 4.535 ambi=1 { CA:58.374 } ::sumAvg: 4.725 atom: 542 51F-HA A 4.535 ambi=1 { CA:58.374 } atom: 535 50A-HA A 4.015 ambi=1 { CA:54.658 } ::sumAvg: 4.725 atom: 536 50A-HB B 1.239 ambi=1 { CB:19.174 } atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } ::sumAvg: 4.745 atom: 560 52G-HA2 A 4.064 ambi=2 { CA:47.293 } atom: 541 51F-H N 8.62 ambi=1 { N:111.445 } :: atom: 561 52G-HA3 A 3.892 ambi=2 { CA:47.293 } atom: 541 51F-H N 8.62 ambi=1 { N:111.445 } ::sumAvg: 4.68 atom: 568 53I-HG12 G1 1.407 ambi=2 { CG1:24.894 } atom: 541 51F-H N 8.62 ambi=1 { N:111.445 } :: atom: 569 53I-HG13 G1 0.979 ambi=2 { CG1:24.894 } atom: 541 51F-H N 8.62 ambi=1 { N:111.445 } ::sumAvg: 3.795 atom: 542 51F-HA A 4.535 ambi=1 { CA:58.374 } atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } ::sumAvg: 4.755 atom: 542 51F-HA A 4.535 ambi=1 { CA:58.374 } atom: 559 52G-H N 8.136 ambi=1 { N:111.969 } ::sumAvg: 3.445 atom: 542 51F-HA A 4.535 ambi=1 { CA:58.374 } atom: 560 52G-HA2 A 4.064 ambi=2 { CA:47.293 } :: atom: 542 51F-HA A 4.535 ambi=1 { CA:58.374 } atom: 561 52G-HA3 A 3.892 ambi=2 { CA:47.293 } ::sumAvg: 4.625 atom: 560 52G-HA2 A 4.064 ambi=2 { CA:47.293 } atom: 542 51F-HA A 4.535 ambi=1 { CA:58.374 } :: atom: 561 52G-HA3 A 3.892 ambi=2 { CA:47.293 } atom: 542 51F-HA A 4.535 ambi=1 { CA:58.374 } ::sumAvg: 4.625 atom: 542 51F-HA A 4.535 ambi=1 { CA:58.374 } atom: 565 53I-H N 7.476 ambi=1 { N:110.687 } ::sumAvg: 4.905 atom: 542 51F-HA A 4.535 ambi=1 { CA:58.374 } atom: 568 53I-HG12 G1 1.407 ambi=2 { CG1:24.894 } :: atom: 542 51F-HA A 4.535 ambi=1 { CA:58.374 } atom: 569 53I-HG13 G1 0.979 ambi=2 { CG1:24.894 } ::sumAvg: 4.745 atom: 568 53I-HG12 G1 1.407 ambi=2 { CG1:24.894 } atom: 542 51F-HA A 4.535 ambi=1 { CA:58.374 } :: atom: 569 53I-HG13 G1 0.979 ambi=2 { CG1:24.894 } atom: 542 51F-HA A 4.535 ambi=1 { CA:58.374 } ::sumAvg: 4.745 atom: 570 53I-HG2 G2 0.756 ambi=1 { CG2:18.699 } atom: 542 51F-HA A 4.535 ambi=1 { CA:58.374 } ::sumAvg: 4.21 atom: 571 53I-HD1 D1 0.734 ambi=1 { CD1:15.554 } atom: 542 51F-HA A 4.535 ambi=1 { CA:58.374 } ::sumAvg: 4.96 atom: 542 51F-HA A 4.535 ambi=1 { CA:58.374 } atom: 1032 91K-QE E 3.108 ambi=2 { CE:42.288 } ::sumAvg: 4.675 atom: 1032 91K-QE E 3.108 ambi=2 { CE:42.288 } atom: 542 51F-HA A 4.535 ambi=1 { CA:58.374 } ::sumAvg: 4.675 atom: 543 51F-HB2 B 3.053 ambi=2 { CB:40.494 } atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } :: atom: 544 51F-HB3 B 2.776 ambi=2 { CB:40.494 } atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } ::sumAvg: 4.43 atom: 543 51F-HB2 B 3.053 ambi=2 { CB:40.494 } atom: 565 53I-H N 7.476 ambi=1 { N:110.687 } :: atom: 544 51F-HB3 B 2.776 ambi=2 { CB:40.494 } atom: 565 53I-H N 7.476 ambi=1 { N:110.687 } ::sumAvg: 3.195 atom: 543 51F-HB2 B 3.053 ambi=2 { CB:40.494 } atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } :: atom: 544 51F-HB3 B 2.776 ambi=2 { CB:40.494 } atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } ::sumAvg: 4.76 atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } atom: 543 51F-HB2 B 3.053 ambi=2 { CB:40.494 } :: atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } atom: 544 51F-HB3 B 2.776 ambi=2 { CB:40.494 } ::sumAvg: 4.76 atom: 543 51F-HB2 B 3.053 ambi=2 { CB:40.494 } atom: 1000 88V-HA A 3.537 ambi=1 { CA:66.861 } :: atom: 544 51F-HB3 B 2.776 ambi=2 { CB:40.494 } atom: 1000 88V-HA A 3.537 ambi=1 { CA:66.861 } ::sumAvg: 4.655 atom: 543 51F-HB2 B 3.053 ambi=2 { CB:40.494 } atom: 1001 88V-HB B 2.282 ambi=1 { CB:32.103 } :: atom: 544 51F-HB3 B 2.776 ambi=2 { CB:40.494 } atom: 1001 88V-HB B 2.282 ambi=1 { CB:32.103 } ::sumAvg: 4.19 atom: 1001 88V-HB B 2.282 ambi=1 { CB:32.103 } atom: 543 51F-HB2 B 3.053 ambi=2 { CB:40.494 } :: atom: 1001 88V-HB B 2.282 ambi=1 { CB:32.103 } atom: 544 51F-HB3 B 2.776 ambi=2 { CB:40.494 } ::sumAvg: 4.19 atom: 1001 88V-HB B 2.282 ambi=1 { CB:32.103 } atom: 546 51F-QD D 7.5955 ambi=3 { CD1:132.829 } ::sumAvg: 4.095 atom: 1032 91K-QE E 3.108 ambi=2 { CE:42.288 } atom: 546 51F-QD D 7.5955 ambi=3 { CD1:132.829 } ::sumAvg: 4.92 atom: 571 53I-HD1 D1 0.734 ambi=1 { CD1:15.554 } atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } ::sumAvg: 4.525 atom: 954 84I-HB B 1.726 ambi=1 { CB:37.687 } atom: 547 51F-QE E 7.209 ambi=3 { CE1:130.395 } ::sumAvg: 4.85 atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } atom: 549 51F-HZ Z 7.293 ambi=1 { CZ:129.947 } ::sumAvg: 4.06 atom: 560 52G-HA2 A 4.064 ambi=2 { CA:47.293 } atom: 566 53I-HA A 4.668 ambi=1 { CA:58.559 } :: atom: 561 52G-HA3 A 3.892 ambi=2 { CA:47.293 } atom: 566 53I-HA A 4.668 ambi=1 { CA:58.559 } ::sumAvg: 4.535 atom: 566 53I-HA A 4.668 ambi=1 { CA:58.559 } atom: 560 52G-HA2 A 4.064 ambi=2 { CA:47.293 } :: atom: 566 53I-HA A 4.668 ambi=1 { CA:58.559 } atom: 561 52G-HA3 A 3.892 ambi=2 { CA:47.293 } ::sumAvg: 4.535 atom: 560 52G-HA2 A 4.064 ambi=2 { CA:47.293 } atom: 568 53I-HG12 G1 1.407 ambi=2 { CG1:24.894 } :: atom: 560 52G-HA2 A 4.064 ambi=2 { CA:47.293 } atom: 569 53I-HG13 G1 0.979 ambi=2 { CG1:24.894 } :: atom: 561 52G-HA3 A 3.892 ambi=2 { CA:47.293 } atom: 568 53I-HG12 G1 1.407 ambi=2 { CG1:24.894 } :: atom: 561 52G-HA3 A 3.892 ambi=2 { CA:47.293 } atom: 569 53I-HG13 G1 0.979 ambi=2 { CG1:24.894 } ::sumAvg: 4.865 atom: 560 52G-HA2 A 4.064 ambi=2 { CA:47.293 } atom: 570 53I-HG2 G2 0.756 ambi=1 { CG2:18.699 } :: atom: 561 52G-HA3 A 3.892 ambi=2 { CA:47.293 } atom: 570 53I-HG2 G2 0.756 ambi=1 { CG2:18.699 } ::sumAvg: 4.075 atom: 560 52G-HA2 A 4.064 ambi=2 { CA:47.293 } atom: 1030 91K-QD D 1.773 ambi=2 { CD:29.674 } :: atom: 561 52G-HA3 A 3.892 ambi=2 { CA:47.293 } atom: 1030 91K-QD D 1.773 ambi=2 { CD:29.674 } ::sumAvg: 4.54 atom: 1030 91K-QD D 1.773 ambi=2 { CD:29.674 } atom: 560 52G-HA2 A 4.064 ambi=2 { CA:47.293 } :: atom: 1030 91K-QD D 1.773 ambi=2 { CD:29.674 } atom: 561 52G-HA3 A 3.892 ambi=2 { CA:47.293 } ::sumAvg: 4.54 atom: 560 52G-HA2 A 4.064 ambi=2 { CA:47.293 } atom: 1032 91K-QE E 3.108 ambi=2 { CE:42.288 } :: atom: 561 52G-HA3 A 3.892 ambi=2 { CA:47.293 } atom: 1032 91K-QE E 3.108 ambi=2 { CE:42.288 } ::sumAvg: 4.335 atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } atom: 565 53I-H N 7.476 ambi=1 { N:110.687 } ::sumAvg: 3.79 atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } atom: 565 53I-H N 7.476 ambi=1 { N:110.687 } ::sumAvg: 4.95 atom: 581 54K-HB2 B 1.591 ambi=2 { CB:33.075 } atom: 566 53I-HA A 4.668 ambi=1 { CA:58.559 } :: atom: 582 54K-HB3 B 1.47 ambi=2 { CB:33.075 } atom: 566 53I-HA A 4.668 ambi=1 { CA:58.559 } ::sumAvg: 4.615 atom: 987 87L-HB2 B 1.392 ambi=2 { CB:42.047 } atom: 566 53I-HA A 4.668 ambi=1 { CA:58.559 } :: atom: 988 87L-HB3 B 2.144 ambi=2 { CB:42.047 } atom: 566 53I-HA A 4.668 ambi=1 { CA:58.559 } ::sumAvg: 4.87 atom: 566 53I-HA A 4.668 ambi=1 { CA:58.559 } atom: 1026 91K-HB2 B 2.029 ambi=2 { CB:32.409 } :: atom: 566 53I-HA A 4.668 ambi=1 { CA:58.559 } atom: 1027 91K-HB3 B 1.968 ambi=2 { CB:32.409 } ::sumAvg: 4.88 atom: 1026 91K-HB2 B 2.029 ambi=2 { CB:32.409 } atom: 566 53I-HA A 4.668 ambi=1 { CA:58.559 } :: atom: 1027 91K-HB3 B 1.968 ambi=2 { CB:32.409 } atom: 566 53I-HA A 4.668 ambi=1 { CA:58.559 } ::sumAvg: 4.88 atom: 566 53I-HA A 4.668 ambi=1 { CA:58.559 } atom: 1030 91K-QD D 1.773 ambi=2 { CD:29.674 } ::sumAvg: 4.445 atom: 1030 91K-QD D 1.773 ambi=2 { CD:29.674 } atom: 566 53I-HA A 4.668 ambi=1 { CA:58.559 } ::sumAvg: 4.445 atom: 566 53I-HA A 4.668 ambi=1 { CA:58.559 } atom: 1032 91K-QE E 3.108 ambi=2 { CE:42.288 } ::sumAvg: 4.705 atom: 1032 91K-QE E 3.108 ambi=2 { CE:42.288 } atom: 566 53I-HA A 4.668 ambi=1 { CA:58.559 } ::sumAvg: 4.705 atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } ::sumAvg: 4.45 atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } ::sumAvg: 4.45 atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } ::sumAvg: 4.575 atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } ::sumAvg: 4.93 atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } ::sumAvg: 4.93 atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } atom: 986 87L-HA A 4.195 ambi=1 { CA:58.183 } ::sumAvg: 4.765 atom: 987 87L-HB2 B 1.392 ambi=2 { CB:42.047 } atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } ::sumAvg: 2.595 atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } :: atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } ::sumAvg: 3.45 atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } atom: 1000 88V-HA A 3.537 ambi=1 { CA:66.861 } ::sumAvg: 4.68 atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } :: atom: 567 53I-HB B 1.849 ambi=1 { CB:42.855 } atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } ::sumAvg: 4.16 atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } atom: 568 53I-HG12 G1 1.407 ambi=2 { CG1:24.894 } :: atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } atom: 569 53I-HG13 G1 0.979 ambi=2 { CG1:24.894 } ::sumAvg: 3.805 atom: 568 53I-HG12 G1 1.407 ambi=2 { CG1:24.894 } atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } :: atom: 569 53I-HG13 G1 0.979 ambi=2 { CG1:24.894 } atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } ::sumAvg: 3.24 atom: 601 55L-HD1 D1 0.869 ambi=2 { CD1:25.768 } atom: 568 53I-HG12 G1 1.407 ambi=2 { CG1:24.894 } :: atom: 602 55L-HD2 D2 0.765 ambi=2 { CD2:24.158 } atom: 568 53I-HG12 G1 1.407 ambi=2 { CG1:24.894 } ::sumAvg: 4.63 atom: 570 53I-HG2 G2 0.756 ambi=1 { CG2:18.699 } atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } ::sumAvg: 4.79 atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } atom: 570 53I-HG2 G2 0.756 ambi=1 { CG2:18.699 } ::sumAvg: 4.79 atom: 1001 88V-HB B 2.282 ambi=1 { CB:32.103 } atom: 570 53I-HG2 G2 0.756 ambi=1 { CG2:18.699 } ::sumAvg: 3.61 atom: 1019 90A-HB B 1.558 ambi=1 { CB:18.443 } atom: 570 53I-HG2 G2 0.756 ambi=1 { CG2:18.699 } ::sumAvg: 4.765 atom: 570 53I-HG2 G2 0.756 ambi=1 { CG2:18.699 } atom: 1024 91K-H N 7.674 ambi=1 { N:119.029 } ::sumAvg: 4.26 atom: 1026 91K-HB2 B 2.029 ambi=2 { CB:32.409 } atom: 570 53I-HG2 G2 0.756 ambi=1 { CG2:18.699 } :: atom: 1027 91K-HB3 B 1.968 ambi=2 { CB:32.409 } atom: 570 53I-HG2 G2 0.756 ambi=1 { CG2:18.699 } ::sumAvg: 3.465 atom: 571 53I-HD1 D1 0.734 ambi=1 { CD1:15.554 } atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } ::sumAvg: 4.98 atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } atom: 571 53I-HD1 D1 0.734 ambi=1 { CD1:15.554 } ::sumAvg: 4.98 atom: 571 53I-HD1 D1 0.734 ambi=1 { CD1:15.554 } atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } ::sumAvg: 4.105 atom: 571 53I-HD1 D1 0.734 ambi=1 { CD1:15.554 } atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } ::sumAvg: 4.365 atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } atom: 571 53I-HD1 D1 0.734 ambi=1 { CD1:15.554 } ::sumAvg: 2.905 atom: 571 53I-HD1 D1 0.734 ambi=1 { CD1:15.554 } atom: 986 87L-HA A 4.195 ambi=1 { CA:58.183 } ::sumAvg: 4.595 atom: 571 53I-HD1 D1 0.734 ambi=1 { CD1:15.554 } atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } ::sumAvg: 3.785 atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } atom: 571 53I-HD1 D1 0.734 ambi=1 { CD1:15.554 } ::sumAvg: 3.785 atom: 571 53I-HD1 D1 0.734 ambi=1 { CD1:15.554 } atom: 1001 88V-HB B 2.282 ambi=1 { CB:32.103 } ::sumAvg: 4.885 atom: 1001 88V-HB B 2.282 ambi=1 { CB:32.103 } atom: 571 53I-HD1 D1 0.734 ambi=1 { CD1:15.554 } ::sumAvg: 4.885 atom: 571 53I-HD1 D1 0.734 ambi=1 { CD1:15.554 } atom: 1032 91K-QE E 3.108 ambi=2 { CE:42.288 } ::sumAvg: 4.775 atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } atom: 579 54K-H N 7.965 ambi=1 { N:119.664 } ::sumAvg: 4.87 atom: 987 87L-HB2 B 1.392 ambi=2 { CB:42.047 } atom: 579 54K-H N 7.965 ambi=1 { N:119.664 } :: atom: 988 87L-HB3 B 2.144 ambi=2 { CB:42.047 } atom: 579 54K-H N 7.965 ambi=1 { N:119.664 } ::sumAvg: 3.85 atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } atom: 587 54K-QE E 2.94 ambi=2 { CE:42.212 } ::sumAvg: 4.3 atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } ::sumAvg: 4.485 atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } ::sumAvg: 4.485 atom: 598 55L-HB2 B 1.617 ambi=2 { CB:42.026 } atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } :: atom: 599 55L-HB3 B 0.994 ambi=2 { CB:42.026 } atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } ::sumAvg: 4.655 atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } ::sumAvg: 4.765 atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } ::sumAvg: 4.765 atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } :: atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } ::sumAvg: 4.77 atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } :: atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } atom: 580 54K-HA A 4.587 ambi=1 { CA:53.228 } ::sumAvg: 4.77 atom: 581 54K-HB2 B 1.591 ambi=2 { CB:33.075 } atom: 587 54K-QE E 2.94 ambi=2 { CE:42.212 } :: atom: 582 54K-HB3 B 1.47 ambi=2 { CB:33.075 } atom: 587 54K-QE E 2.94 ambi=2 { CE:42.212 } ::sumAvg: 3.005 atom: 581 54K-HB2 B 1.591 ambi=2 { CB:33.075 } atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } :: atom: 582 54K-HB3 B 1.47 ambi=2 { CB:33.075 } atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } ::sumAvg: 4.46 atom: 581 54K-HB2 B 1.591 ambi=2 { CB:33.075 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } :: atom: 582 54K-HB3 B 1.47 ambi=2 { CB:33.075 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } ::sumAvg: 4.215 atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 581 54K-HB2 B 1.591 ambi=2 { CB:33.075 } :: atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 582 54K-HB3 B 1.47 ambi=2 { CB:33.075 } ::sumAvg: 4.215 atom: 581 54K-HB2 B 1.591 ambi=2 { CB:33.075 } atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } :: atom: 581 54K-HB2 B 1.591 ambi=2 { CB:33.075 } atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } :: atom: 582 54K-HB3 B 1.47 ambi=2 { CB:33.075 } atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } :: atom: 582 54K-HB3 B 1.47 ambi=2 { CB:33.075 } atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } ::sumAvg: 4.405 atom: 583 54K-HG2 G 1.21 ambi=2 { CG:24.355 } atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } :: atom: 584 54K-HG3 G 1.177 ambi=2 { CG:24.355 } atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } ::sumAvg: 3.85 atom: 583 54K-HG2 G 1.21 ambi=2 { CG:24.355 } atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } :: atom: 584 54K-HG3 G 1.177 ambi=2 { CG:24.355 } atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } ::sumAvg: 4.39 atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } atom: 583 54K-HG2 G 1.21 ambi=2 { CG:24.355 } :: atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } atom: 584 54K-HG3 G 1.177 ambi=2 { CG:24.355 } ::sumAvg: 4.39 atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } atom: 583 54K-HG2 G 1.21 ambi=2 { CG:24.355 } :: atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } atom: 584 54K-HG3 G 1.177 ambi=2 { CG:24.355 } ::sumAvg: 3.79 atom: 583 54K-HG2 G 1.21 ambi=2 { CG:24.355 } atom: 612 56P-HB3 B 1.879 ambi=2 { CB:27.462 } :: atom: 584 54K-HG3 G 1.177 ambi=2 { CG:24.355 } atom: 612 56P-HB3 B 1.879 ambi=2 { CB:27.462 } ::sumAvg: 3.555 atom: 612 56P-HB3 B 1.879 ambi=2 { CB:27.462 } atom: 583 54K-HG2 G 1.21 ambi=2 { CG:24.355 } :: atom: 612 56P-HB3 B 1.879 ambi=2 { CB:27.462 } atom: 584 54K-HG3 G 1.177 ambi=2 { CG:24.355 } ::sumAvg: 3.555 atom: 583 54K-HG2 G 1.21 ambi=2 { CG:24.355 } atom: 613 56P-HG2 G 1.76 ambi=2 { CG:26.443 } :: atom: 584 54K-HG3 G 1.177 ambi=2 { CG:24.355 } atom: 613 56P-HG2 G 1.76 ambi=2 { CG:26.443 } ::sumAvg: 4.41 atom: 613 56P-HG2 G 1.76 ambi=2 { CG:26.443 } atom: 583 54K-HG2 G 1.21 ambi=2 { CG:24.355 } :: atom: 613 56P-HG2 G 1.76 ambi=2 { CG:26.443 } atom: 584 54K-HG3 G 1.177 ambi=2 { CG:24.355 } ::sumAvg: 4.41 atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 583 54K-HG2 G 1.21 ambi=2 { CG:24.355 } :: atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 584 54K-HG3 G 1.177 ambi=2 { CG:24.355 } ::sumAvg: 3.265 atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } atom: 585 54K-QD D 1.639 ambi=2 { CD:28.727 } ::sumAvg: 4.865 atom: 585 54K-QD D 1.639 ambi=2 { CD:28.727 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } ::sumAvg: 4.705 atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 585 54K-QD D 1.639 ambi=2 { CD:28.727 } ::sumAvg: 4.705 atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } atom: 587 54K-QE E 2.94 ambi=2 { CE:42.212 } ::sumAvg: 4.735 atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } ::sumAvg: 2.905 atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } ::sumAvg: 4.575 atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } ::sumAvg: 4.03 atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } :: atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } atom: 596 55L-H N 10.625 ambi=1 { N:130.663 } ::sumAvg: 3.865 atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } ::sumAvg: 2.555 atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } ::sumAvg: 2.555 atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } ::sumAvg: 4.59 atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } ::sumAvg: 4.59 atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } atom: 611 56P-HB2 B 1.528 ambi=2 { CB:27.462 } :: atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } atom: 612 56P-HB3 B 1.879 ambi=2 { CB:27.462 } ::sumAvg: 4.985 atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } atom: 622 57L-H N 7.463 ambi=1 { N:121.417 } ::sumAvg: 4.98 atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } ::sumAvg: 3.955 atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } ::sumAvg: 4.865 atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } ::sumAvg: 4.945 atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } atom: 597 55L-HA A 3.841 ambi=1 { CA:53.262 } ::sumAvg: 4.945 atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } atom: 599 55L-HB3 B 0.994 ambi=2 { CB:42.026 } ::sumAvg: 2.605 atom: 598 55L-HB2 B 1.617 ambi=2 { CB:42.026 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } :: atom: 599 55L-HB3 B 0.994 ambi=2 { CB:42.026 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } ::sumAvg: 4.24 atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 598 55L-HB2 B 1.617 ambi=2 { CB:42.026 } :: atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 599 55L-HB3 B 0.994 ambi=2 { CB:42.026 } ::sumAvg: 4.24 atom: 598 55L-HB2 B 1.617 ambi=2 { CB:42.026 } atom: 622 57L-H N 7.463 ambi=1 { N:121.417 } :: atom: 599 55L-HB3 B 0.994 ambi=2 { CB:42.026 } atom: 622 57L-H N 7.463 ambi=1 { N:121.417 } ::sumAvg: 4.445 atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } atom: 599 55L-HB3 B 0.994 ambi=2 { CB:42.026 } ::sumAvg: 4.595 atom: 598 55L-HB2 B 1.617 ambi=2 { CB:42.026 } atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } :: atom: 599 55L-HB3 B 0.994 ambi=2 { CB:42.026 } atom: 955 84I-HG12 G1 1.78 ambi=2 { CG1:29.885 } :: atom: 599 55L-HB3 B 0.994 ambi=2 { CB:42.026 } atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } ::sumAvg: 4.08 atom: 598 55L-HB2 B 1.617 ambi=2 { CB:42.026 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } :: atom: 599 55L-HB3 B 0.994 ambi=2 { CB:42.026 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } ::sumAvg: 4.59 atom: 598 55L-HB2 B 1.617 ambi=2 { CB:42.026 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } :: atom: 599 55L-HB3 B 0.994 ambi=2 { CB:42.026 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } ::sumAvg: 4.62 atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } atom: 598 55L-HB2 B 1.617 ambi=2 { CB:42.026 } :: atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } atom: 598 55L-HB2 B 1.617 ambi=2 { CB:42.026 } ::sumAvg: 3.075 atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } ::sumAvg: 3.255 atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } ::sumAvg: 3.255 atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } atom: 670 60W-HE3 E3 6.741 ambi=1 { CE3:119.675 } ::sumAvg: 4.66 atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } ::sumAvg: 3.595 atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } ::sumAvg: 3.615 atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } ::sumAvg: 2.895 atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } ::sumAvg: 4.055 atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } ::sumAvg: 4.055 atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } ::sumAvg: 4.965 atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } ::sumAvg: 4.965 atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } ::sumAvg: 3.755 atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } ::sumAvg: 3.755 atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } ::sumAvg: 4.35 atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } ::sumAvg: 4.35 atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } :: atom: 600 55L-HG G 1.535 ambi=1 { CG:25.831 } atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } ::sumAvg: 2.91 atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } atom: 601 55L-HD1 D1 0.869 ambi=2 { CD1:25.768 } :: atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } atom: 602 55L-HD2 D2 0.765 ambi=2 { CD2:24.158 } ::sumAvg: 3.85 atom: 613 56P-HG2 G 1.76 ambi=2 { CG:26.443 } atom: 601 55L-HD1 D1 0.869 ambi=2 { CD1:25.768 } :: atom: 613 56P-HG2 G 1.76 ambi=2 { CG:26.443 } atom: 602 55L-HD2 D2 0.765 ambi=2 { CD2:24.158 } ::sumAvg: 4.535 atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 601 55L-HD1 D1 0.869 ambi=2 { CD1:25.768 } :: atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 602 55L-HD2 D2 0.765 ambi=2 { CD2:24.158 } ::sumAvg: 3.175 atom: 601 55L-HD1 D1 0.869 ambi=2 { CD1:25.768 } atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } :: atom: 601 55L-HD1 D1 0.869 ambi=2 { CD1:25.768 } atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } :: atom: 602 55L-HD2 D2 0.765 ambi=2 { CD2:24.158 } atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } :: atom: 602 55L-HD2 D2 0.765 ambi=2 { CD2:24.158 } atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } ::sumAvg: 4.04 atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } atom: 601 55L-HD1 D1 0.869 ambi=2 { CD1:25.768 } :: atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } atom: 601 55L-HD1 D1 0.869 ambi=2 { CD1:25.768 } :: atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } atom: 602 55L-HD2 D2 0.765 ambi=2 { CD2:24.158 } :: atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } atom: 602 55L-HD2 D2 0.765 ambi=2 { CD2:24.158 } ::sumAvg: 4.04 atom: 601 55L-HD1 D1 0.869 ambi=2 { CD1:25.768 } atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } :: atom: 602 55L-HD2 D2 0.765 ambi=2 { CD2:24.158 } atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } ::sumAvg: 4.755 atom: 601 55L-HD1 D1 0.869 ambi=2 { CD1:25.768 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } :: atom: 602 55L-HD2 D2 0.765 ambi=2 { CD2:24.158 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } ::sumAvg: 4.25 atom: 601 55L-HD1 D1 0.869 ambi=2 { CD1:25.768 } atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } :: atom: 602 55L-HD2 D2 0.765 ambi=2 { CD2:24.158 } atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } ::sumAvg: 4.025 atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } atom: 601 55L-HD1 D1 0.869 ambi=2 { CD1:25.768 } :: atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } atom: 602 55L-HD2 D2 0.765 ambi=2 { CD2:24.158 } ::sumAvg: 4.275 atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } ::sumAvg: 3.54 atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } ::sumAvg: 3.54 atom: 623 57L-HA A 3.405 ambi=1 { CA:58.089 } atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } ::sumAvg: 4.58 atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } :: atom: 625 57L-HB3 B 1.328 ambi=2 { CB:42.124 } atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } ::sumAvg: 4.73 atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } ::sumAvg: 3.4 atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } atom: 638 58E-QB B 1.9595 ambi=2 { CB:28.669 } ::sumAvg: 4.97 atom: 638 58E-QB B 1.9595 ambi=2 { CB:28.669 } atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } ::sumAvg: 4.97 atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } atom: 640 58E-QG G 2.251 ambi=2 { CG:36.552 } ::sumAvg: 3.155 atom: 640 58E-QG G 2.251 ambi=2 { CG:36.552 } atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } ::sumAvg: 3.155 atom: 649 59K-HB2 B 1.864 ambi=2 { CB:32.184 } atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } :: atom: 650 59K-HB3 B 1.822 ambi=2 { CB:32.184 } atom: 610 56P-HA A 4.58 ambi=1 { CA:61.582 } ::sumAvg: 4.645 atom: 611 56P-HB2 B 1.528 ambi=2 { CB:27.462 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } :: atom: 612 56P-HB3 B 1.879 ambi=2 { CB:27.462 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } ::sumAvg: 3.09 atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 611 56P-HB2 B 1.528 ambi=2 { CB:27.462 } :: atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 612 56P-HB3 B 1.879 ambi=2 { CB:27.462 } ::sumAvg: 3.09 atom: 611 56P-HB2 B 1.528 ambi=2 { CB:27.462 } atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } :: atom: 612 56P-HB3 B 1.879 ambi=2 { CB:27.462 } atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } ::sumAvg: 4.36 atom: 611 56P-HB2 B 1.528 ambi=2 { CB:27.462 } atom: 640 58E-QG G 2.251 ambi=2 { CG:36.552 } ::sumAvg: 3.18 atom: 612 56P-HB3 B 1.879 ambi=2 { CB:27.462 } atom: 652 59K-QG G 1.3795 ambi=2 { CG:24.776 } ::sumAvg: 4.2 atom: 611 56P-HB2 B 1.528 ambi=2 { CB:27.462 } atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } :: atom: 612 56P-HB3 B 1.879 ambi=2 { CB:27.462 } atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } ::sumAvg: 4.12 atom: 611 56P-HB2 B 1.528 ambi=2 { CB:27.462 } atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } :: atom: 612 56P-HB3 B 1.879 ambi=2 { CB:27.462 } atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } ::sumAvg: 4.45 atom: 611 56P-HB2 B 1.528 ambi=2 { CB:27.462 } atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } :: atom: 612 56P-HB3 B 1.879 ambi=2 { CB:27.462 } atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } ::sumAvg: 4.765 atom: 613 56P-HG2 G 1.76 ambi=2 { CG:26.443 } atom: 647 59K-H N 7.433 ambi=1 { N:122.037 } :: atom: 614 56P-HG3 G 0.925 ambi=2 { CG:26.443 } atom: 647 59K-H N 7.433 ambi=1 { N:122.037 } ::sumAvg: 4.475 atom: 649 59K-HB2 B 1.864 ambi=2 { CB:32.184 } atom: 614 56P-HG3 G 0.925 ambi=2 { CG:26.443 } :: atom: 650 59K-HB3 B 1.822 ambi=2 { CB:32.184 } atom: 614 56P-HG3 G 0.925 ambi=2 { CG:26.443 } ::sumAvg: 2.975 atom: 614 56P-HG3 G 0.925 ambi=2 { CG:26.443 } atom: 652 59K-QG G 1.3795 ambi=2 { CG:24.776 } ::sumAvg: 4.45 atom: 652 59K-QG G 1.3795 ambi=2 { CG:24.776 } atom: 614 56P-HG3 G 0.925 ambi=2 { CG:26.443 } ::sumAvg: 4.45 atom: 614 56P-HG3 G 0.925 ambi=2 { CG:26.443 } atom: 653 59K-QD D 1.663 ambi=2 { CD:29.326 } ::sumAvg: 3.285 atom: 653 59K-QD D 1.663 ambi=2 { CD:29.326 } atom: 614 56P-HG3 G 0.925 ambi=2 { CG:26.443 } ::sumAvg: 3.285 atom: 613 56P-HG2 G 1.76 ambi=2 { CG:26.443 } atom: 655 59K-QE E 3.025 ambi=2 { CE:42.247 } :: atom: 614 56P-HG3 G 0.925 ambi=2 { CG:26.443 } atom: 655 59K-QE E 3.025 ambi=2 { CE:42.247 } ::sumAvg: 3.45 atom: 613 56P-HG2 G 1.76 ambi=2 { CG:26.443 } atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } :: atom: 614 56P-HG3 G 0.925 ambi=2 { CG:26.443 } atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } ::sumAvg: 4.24 atom: 613 56P-HG2 G 1.76 ambi=2 { CG:26.443 } atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } :: atom: 614 56P-HG3 G 0.925 ambi=2 { CG:26.443 } atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } ::sumAvg: 3.315 atom: 613 56P-HG2 G 1.76 ambi=2 { CG:26.443 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } :: atom: 614 56P-HG3 G 0.925 ambi=2 { CG:26.443 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } ::sumAvg: 4.465 atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 622 57L-H N 7.463 ambi=1 { N:121.417 } ::sumAvg: 4.38 atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 623 57L-HA A 3.405 ambi=1 { CA:58.089 } ::sumAvg: 4.875 atom: 623 57L-HA A 3.405 ambi=1 { CA:58.089 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } ::sumAvg: 4.875 atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 649 59K-HB2 B 1.864 ambi=2 { CB:32.184 } :: atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 650 59K-HB3 B 1.822 ambi=2 { CB:32.184 } ::sumAvg: 4.675 atom: 649 59K-HB2 B 1.864 ambi=2 { CB:32.184 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } :: atom: 650 59K-HB3 B 1.822 ambi=2 { CB:32.184 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } ::sumAvg: 4.675 atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 653 59K-QD D 1.663 ambi=2 { CD:29.326 } ::sumAvg: 4.88 atom: 653 59K-QD D 1.663 ambi=2 { CD:29.326 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } ::sumAvg: 4.88 atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 655 59K-QE E 3.025 ambi=2 { CE:42.247 } ::sumAvg: 4.93 atom: 655 59K-QE E 3.025 ambi=2 { CE:42.247 } atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } ::sumAvg: 4.93 atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } ::sumAvg: 4.555 atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } ::sumAvg: 2.91 atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } ::sumAvg: 3.08 atom: 615 56P-QD D 2.316 ambi=2 { CD:50.414 } atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } ::sumAvg: 4.6 atom: 623 57L-HA A 3.405 ambi=1 { CA:58.089 } atom: 626 57L-HG G 1.452 ambi=1 { CG:27.081 } ::sumAvg: 3.13 atom: 623 57L-HA A 3.405 ambi=1 { CA:58.089 } atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } ::sumAvg: 3.5 atom: 623 57L-HA A 3.405 ambi=1 { CA:58.089 } atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } ::sumAvg: 4.91 atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } atom: 623 57L-HA A 3.405 ambi=1 { CA:58.089 } ::sumAvg: 4.91 atom: 623 57L-HA A 3.405 ambi=1 { CA:58.089 } atom: 640 58E-QG G 2.251 ambi=2 { CG:36.552 } ::sumAvg: 4.895 atom: 640 58E-QG G 2.251 ambi=2 { CG:36.552 } atom: 623 57L-HA A 3.405 ambi=1 { CA:58.089 } ::sumAvg: 4.895 atom: 623 57L-HA A 3.405 ambi=1 { CA:58.089 } atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } ::sumAvg: 4.67 atom: 623 57L-HA A 3.405 ambi=1 { CA:58.089 } atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } ::sumAvg: 3.725 atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } :: atom: 625 57L-HB3 B 1.328 ambi=2 { CB:42.124 } atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } ::sumAvg: 4.39 atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } :: atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } atom: 625 57L-HB3 B 1.328 ambi=2 { CB:42.124 } ::sumAvg: 4.39 atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } atom: 638 58E-QB B 1.9595 ambi=2 { CB:28.669 } :: atom: 625 57L-HB3 B 1.328 ambi=2 { CB:42.124 } atom: 638 58E-QB B 1.9595 ambi=2 { CB:28.669 } ::sumAvg: 4.46 atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } atom: 640 58E-QG G 2.251 ambi=2 { CG:36.552 } :: atom: 625 57L-HB3 B 1.328 ambi=2 { CB:42.124 } atom: 640 58E-QG G 2.251 ambi=2 { CG:36.552 } ::sumAvg: 4.57 atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } :: atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } :: atom: 625 57L-HB3 B 1.328 ambi=2 { CB:42.124 } atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } :: atom: 625 57L-HB3 B 1.328 ambi=2 { CB:42.124 } atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } ::sumAvg: 4.68 atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } :: atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } :: atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } atom: 625 57L-HB3 B 1.328 ambi=2 { CB:42.124 } :: atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } atom: 625 57L-HB3 B 1.328 ambi=2 { CB:42.124 } ::sumAvg: 4.68 atom: 624 57L-HB2 B 1.511 ambi=2 { CB:42.124 } atom: 670 60W-HE3 E3 6.741 ambi=1 { CE3:119.675 } :: atom: 625 57L-HB3 B 1.328 ambi=2 { CB:42.124 } atom: 670 60W-HE3 E3 6.741 ambi=1 { CE3:119.675 } ::sumAvg: 4.93 atom: 626 57L-HG G 1.452 ambi=1 { CG:27.081 } atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } ::sumAvg: 4.085 atom: 626 57L-HG G 1.452 ambi=1 { CG:27.081 } atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } ::sumAvg: 4.095 atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } atom: 626 57L-HG G 1.452 ambi=1 { CG:27.081 } ::sumAvg: 4.095 atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } atom: 626 57L-HG G 1.452 ambi=1 { CG:27.081 } :: atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } atom: 626 57L-HG G 1.452 ambi=1 { CG:27.081 } ::sumAvg: 4.14 atom: 626 57L-HG G 1.452 ambi=1 { CG:27.081 } atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } ::sumAvg: 3.85 atom: 626 57L-HG G 1.452 ambi=1 { CG:27.081 } atom: 686 61T-HB B 4.28 ambi=1 { CB:68.976 } ::sumAvg: 4.245 atom: 686 61T-HB B 4.28 ambi=1 { CB:68.976 } atom: 626 57L-HG G 1.452 ambi=1 { CG:27.081 } ::sumAvg: 4.245 atom: 626 57L-HG G 1.452 ambi=1 { CG:27.081 } atom: 845 75F-HZ Z 7.018 ambi=1 { CZ:129.158 } ::sumAvg: 4.6 atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } :: atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } ::sumAvg: 4.93 atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } :: atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } :: atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } :: atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } ::sumAvg: 2.315 atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } :: atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } ::sumAvg: 3.275 atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } :: atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } ::sumAvg: 4.455 atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } atom: 686 61T-HB B 4.28 ambi=1 { CB:68.976 } :: atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } atom: 686 61T-HB B 4.28 ambi=1 { CB:68.976 } ::sumAvg: 4.53 atom: 686 61T-HB B 4.28 ambi=1 { CB:68.976 } atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } :: atom: 686 61T-HB B 4.28 ambi=1 { CB:68.976 } atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } ::sumAvg: 4.53 atom: 687 61T-HG2 G2 1.28 ambi=1 { CG2:21.524 } atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } :: atom: 687 61T-HG2 G2 1.28 ambi=1 { CG2:21.524 } atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } ::sumAvg: 4.475 atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } :: atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } atom: 627 57L-HD1 D1 0.876 ambi=2 { CD1:24.76 } :: atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } :: atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } atom: 628 57L-HD2 D2 0.766 ambi=2 { CD2:24.394 } ::sumAvg: 4.315 atom: 649 59K-HB2 B 1.864 ambi=2 { CB:32.184 } atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } :: atom: 650 59K-HB3 B 1.822 ambi=2 { CB:32.184 } atom: 636 58E-H N 8.805 ambi=1 { N:119.172 } ::sumAvg: 4.765 atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } ::sumAvg: 4.645 atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } ::sumAvg: 3.955 atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } atom: 687 61T-HG2 G2 1.28 ambi=1 { CG2:21.524 } ::sumAvg: 4.21 atom: 687 61T-HG2 G2 1.28 ambi=1 { CG2:21.524 } atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } ::sumAvg: 4.21 atom: 637 58E-HA A 3.981 ambi=1 { CA:59.829 } atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } ::sumAvg: 4.35 atom: 638 58E-QB B 1.9595 ambi=2 { CB:28.669 } atom: 648 59K-HA A 4.093 ambi=1 { CA:58.936 } ::sumAvg: 4.46 atom: 638 58E-QB B 1.9595 ambi=2 { CB:28.669 } atom: 686 61T-HB B 4.28 ambi=1 { CB:68.976 } ::sumAvg: 4.615 atom: 640 58E-QG G 2.251 ambi=2 { CG:36.552 } atom: 650 59K-HB3 B 1.822 ambi=2 { CB:32.184 } ::sumAvg: 3.165 atom: 650 59K-HB3 B 1.822 ambi=2 { CB:32.184 } atom: 640 58E-QG G 2.251 ambi=2 { CG:36.552 } ::sumAvg: 3.165 atom: 640 58E-QG G 2.251 ambi=2 { CG:36.552 } atom: 652 59K-QG G 1.3795 ambi=2 { CG:24.776 } ::sumAvg: 4.67 atom: 652 59K-QG G 1.3795 ambi=2 { CG:24.776 } atom: 640 58E-QG G 2.251 ambi=2 { CG:36.552 } ::sumAvg: 4.67 atom: 640 58E-QG G 2.251 ambi=2 { CG:36.552 } atom: 653 59K-QD D 1.663 ambi=2 { CD:29.326 } ::sumAvg: 4.92 atom: 653 59K-QD D 1.663 ambi=2 { CD:29.326 } atom: 640 58E-QG G 2.251 ambi=2 { CG:36.552 } ::sumAvg: 4.92 atom: 653 59K-QD D 1.663 ambi=2 { CD:29.326 } atom: 647 59K-H N 7.433 ambi=1 { N:122.037 } ::sumAvg: 4.58 atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } atom: 647 59K-H N 7.433 ambi=1 { N:122.037 } :: atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } atom: 647 59K-H N 7.433 ambi=1 { N:122.037 } ::sumAvg: 4.605 atom: 648 59K-HA A 4.093 ambi=1 { CA:58.936 } atom: 653 59K-QD D 1.663 ambi=2 { CD:29.326 } ::sumAvg: 4.1 atom: 648 59K-HA A 4.093 ambi=1 { CA:58.936 } atom: 655 59K-QE E 3.025 ambi=2 { CE:42.247 } ::sumAvg: 4.91 atom: 648 59K-HA A 4.093 ambi=1 { CA:58.936 } atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } ::sumAvg: 4.9 atom: 648 59K-HA A 4.093 ambi=1 { CA:58.936 } atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } ::sumAvg: 4.835 atom: 695 62Q-HB2 B 2.288 ambi=2 { CB:28.121 } atom: 648 59K-HA A 4.093 ambi=1 { CA:58.936 } :: atom: 696 62Q-HB3 B 2.273 ambi=2 { CB:28.121 } atom: 648 59K-HA A 4.093 ambi=1 { CA:58.936 } ::sumAvg: 2.78 atom: 697 62Q-HG2 G 2.509 ambi=2 { CG:33.398 } atom: 648 59K-HA A 4.093 ambi=1 { CA:58.936 } :: atom: 698 62Q-HG3 G 2.431 ambi=2 { CG:33.398 } atom: 648 59K-HA A 4.093 ambi=1 { CA:58.936 } ::sumAvg: 4.425 atom: 648 59K-HA A 4.093 ambi=1 { CA:58.936 } atom: 707 63E-H N 8.434 ambi=1 { N:119.114 } ::sumAvg: 4.175 atom: 649 59K-HB2 B 1.864 ambi=2 { CB:32.184 } atom: 655 59K-QE E 3.025 ambi=2 { CE:42.247 } :: atom: 650 59K-HB3 B 1.822 ambi=2 { CB:32.184 } atom: 655 59K-QE E 3.025 ambi=2 { CE:42.247 } ::sumAvg: 3.04 atom: 655 59K-QE E 3.025 ambi=2 { CE:42.247 } atom: 649 59K-HB2 B 1.864 ambi=2 { CB:32.184 } :: atom: 655 59K-QE E 3.025 ambi=2 { CE:42.247 } atom: 650 59K-HB3 B 1.822 ambi=2 { CB:32.184 } ::sumAvg: 3.04 atom: 649 59K-HB2 B 1.864 ambi=2 { CB:32.184 } atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } :: atom: 650 59K-HB3 B 1.822 ambi=2 { CB:32.184 } atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } ::sumAvg: 4.805 atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } atom: 649 59K-HB2 B 1.864 ambi=2 { CB:32.184 } :: atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } atom: 650 59K-HB3 B 1.822 ambi=2 { CB:32.184 } ::sumAvg: 4.805 atom: 649 59K-HB2 B 1.864 ambi=2 { CB:32.184 } atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } :: atom: 650 59K-HB3 B 1.822 ambi=2 { CB:32.184 } atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } ::sumAvg: 2.87 atom: 649 59K-HB2 B 1.864 ambi=2 { CB:32.184 } atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } :: atom: 650 59K-HB3 B 1.822 ambi=2 { CB:32.184 } atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } ::sumAvg: 4.295 atom: 649 59K-HB2 B 1.864 ambi=2 { CB:32.184 } atom: 711 63E-HG2 G 2.697 ambi=2 { CG:36.961 } :: atom: 650 59K-HB3 B 1.822 ambi=2 { CB:32.184 } atom: 711 63E-HG2 G 2.697 ambi=2 { CG:36.961 } ::sumAvg: 4.955 atom: 711 63E-HG2 G 2.697 ambi=2 { CG:36.961 } atom: 649 59K-HB2 B 1.864 ambi=2 { CB:32.184 } :: atom: 711 63E-HG2 G 2.697 ambi=2 { CG:36.961 } atom: 650 59K-HB3 B 1.822 ambi=2 { CB:32.184 } ::sumAvg: 4.955 atom: 652 59K-QG G 1.3795 ambi=2 { CG:24.776 } atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } ::sumAvg: 3.705 atom: 652 59K-QG G 1.3795 ambi=2 { CG:24.776 } atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } ::sumAvg: 4.92 atom: 652 59K-QG G 1.3795 ambi=2 { CG:24.776 } atom: 695 62Q-HB2 B 2.288 ambi=2 { CB:28.121 } :: atom: 652 59K-QG G 1.3795 ambi=2 { CG:24.776 } atom: 696 62Q-HB3 B 2.273 ambi=2 { CB:28.121 } ::sumAvg: 3.94 atom: 695 62Q-HB2 B 2.288 ambi=2 { CB:28.121 } atom: 652 59K-QG G 1.3795 ambi=2 { CG:24.776 } :: atom: 696 62Q-HB3 B 2.273 ambi=2 { CB:28.121 } atom: 652 59K-QG G 1.3795 ambi=2 { CG:24.776 } ::sumAvg: 3.94 atom: 709 63E-HB2 B 2.46 ambi=2 { CB:30.419 } atom: 652 59K-QG G 1.3795 ambi=2 { CG:24.776 } :: atom: 710 63E-HB3 B 1.999 ambi=2 { CB:30.419 } atom: 652 59K-QG G 1.3795 ambi=2 { CG:24.776 } ::sumAvg: 4.885 atom: 711 63E-HG2 G 2.697 ambi=2 { CG:36.961 } atom: 652 59K-QG G 1.3795 ambi=2 { CG:24.776 } :: atom: 712 63E-HG3 G 2.175 ambi=2 { CG:36.961 } atom: 652 59K-QG G 1.3795 ambi=2 { CG:24.776 } ::sumAvg: 3.01 atom: 653 59K-QD D 1.663 ambi=2 { CD:29.326 } atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } ::sumAvg: 4.7 atom: 653 59K-QD D 1.663 ambi=2 { CD:29.326 } atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } ::sumAvg: 3.64 atom: 653 59K-QD D 1.663 ambi=2 { CD:29.326 } atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } ::sumAvg: 4.26 atom: 653 59K-QD D 1.663 ambi=2 { CD:29.326 } atom: 711 63E-HG2 G 2.697 ambi=2 { CG:36.961 } :: atom: 653 59K-QD D 1.663 ambi=2 { CD:29.326 } atom: 712 63E-HG3 G 2.175 ambi=2 { CG:36.961 } ::sumAvg: 4.77 atom: 655 59K-QE E 3.025 ambi=2 { CE:42.247 } atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } ::sumAvg: 4.67 atom: 655 59K-QE E 3.025 ambi=2 { CE:42.247 } atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } ::sumAvg: 4.41 atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } atom: 655 59K-QE E 3.025 ambi=2 { CE:42.247 } ::sumAvg: 4.41 atom: 655 59K-QE E 3.025 ambi=2 { CE:42.247 } atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } ::sumAvg: 3.155 atom: 655 59K-QE E 3.025 ambi=2 { CE:42.247 } atom: 712 63E-HG3 G 2.175 ambi=2 { CG:36.961 } ::sumAvg: 4.4 atom: 712 63E-HG3 G 2.175 ambi=2 { CG:36.961 } atom: 655 59K-QE E 3.025 ambi=2 { CE:42.247 } ::sumAvg: 4.4 atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } ::sumAvg: 2.825 atom: 686 61T-HB B 4.28 ambi=1 { CB:68.976 } atom: 664 60W-H N 8.129 ambi=1 { N:119.892 } ::sumAvg: 4.815 atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } ::sumAvg: 4.82 atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } ::sumAvg: 4.35 atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } atom: 709 63E-HB2 B 2.46 ambi=2 { CB:30.419 } :: atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } atom: 710 63E-HB3 B 1.999 ambi=2 { CB:30.419 } ::sumAvg: 3.035 atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } atom: 718 64V-H N 8.167 ambi=1 { N:119.573 } ::sumAvg: 4.55 atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } :: atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } ::sumAvg: 4.14 atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } atom: 773 69A-HB B 1.282 ambi=1 { CB:23.973 } ::sumAvg: 4.745 atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 4.235 atom: 665 60W-HA A 4.186 ambi=1 { CA:57.744 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } ::sumAvg: 3.53 atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } :: atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } ::sumAvg: 3.565 atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } :: atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } ::sumAvg: 4.505 atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } :: atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } ::sumAvg: 4.505 atom: 686 61T-HB B 4.28 ambi=1 { CB:68.976 } atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } :: atom: 686 61T-HB B 4.28 ambi=1 { CB:68.976 } atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } ::sumAvg: 4.945 atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } atom: 709 63E-HB2 B 2.46 ambi=2 { CB:30.419 } :: atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } atom: 710 63E-HB3 B 1.999 ambi=2 { CB:30.419 } ::sumAvg: 4.87 atom: 709 63E-HB2 B 2.46 ambi=2 { CB:30.419 } atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } :: atom: 710 63E-HB3 B 1.999 ambi=2 { CB:30.419 } atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } ::sumAvg: 4.87 atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } :: atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } :: atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } :: atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } ::sumAvg: 4.065 atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } :: atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } :: atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } :: atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } ::sumAvg: 3.26 atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } :: atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 3.235 atom: 666 60W-HB2 B 2.919 ambi=2 { CB:28.467 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } :: atom: 667 60W-HB3 B 2.067 ambi=2 { CB:28.467 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } ::sumAvg: 3.885 atom: 711 63E-HG2 G 2.697 ambi=2 { CG:36.961 } atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } :: atom: 712 63E-HG3 G 2.175 ambi=2 { CG:36.961 } atom: 668 60W-HD1 D1 6.411 ambi=1 { CD1:123.203 } ::sumAvg: 4.42 atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } :: atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } ::sumAvg: 4.875 atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } :: atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } atom: 669 60W-HE1 E1 10.047 ambi=1 { NE1:128.046 } ::sumAvg: 4.11 atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } atom: 670 60W-HE3 E3 6.741 ambi=1 { CE3:119.675 } ::sumAvg: 4.385 atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 670 60W-HE3 E3 6.741 ambi=1 { CE3:119.675 } :: atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } atom: 670 60W-HE3 E3 6.741 ambi=1 { CE3:119.675 } ::sumAvg: 2.525 atom: 937 83R-HA A 4.32 ambi=1 { CA:58.496 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } ::sumAvg: 4.96 atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } :: atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } ::sumAvg: 2.765 atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } :: atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } ::sumAvg: 4.245 atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } ::sumAvg: 4.965 atom: 955 84I-HG12 G1 1.78 ambi=2 { CG1:29.885 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } :: atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } ::sumAvg: 4.915 atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } atom: 671 60W-HZ2 Z2 7.218 ambi=1 { CZ2:112.823 } ::sumAvg: 3.78 atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } ::sumAvg: 4.48 atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } :: atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } ::sumAvg: 3.695 atom: 909 80L-HA A 4.025 ambi=1 { CA:58.699 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } ::sumAvg: 3.69 atom: 910 80L-HB2 B 1.96 ambi=2 { CB:40.812 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } :: atom: 911 80L-HB3 B 1.585 ambi=2 { CB:40.812 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } ::sumAvg: 4.51 atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } ::sumAvg: 4.405 atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } :: atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } ::sumAvg: 3.885 atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } :: atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } ::sumAvg: 4.16 atom: 955 84I-HG12 G1 1.78 ambi=2 { CG1:29.885 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } :: atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } ::sumAvg: 4.06 atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } ::sumAvg: 4.125 atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } :: atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } atom: 672 60W-HZ3 Z3 6.557 ambi=1 { CZ3:119.858 } ::sumAvg: 4.865 atom: 909 80L-HA A 4.025 ambi=1 { CA:58.699 } atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } ::sumAvg: 4.135 atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } :: atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } ::sumAvg: 2.58 atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } ::sumAvg: 3.985 atom: 955 84I-HG12 G1 1.78 ambi=2 { CG1:29.885 } atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } :: atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } ::sumAvg: 2.965 atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } ::sumAvg: 4 atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } atom: 673 60W-HH2 H2 6.786 ambi=1 { CH2:122.983 } ::sumAvg: 4.48 atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } :: atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } atom: 684 61T-H N 8.439 ambi=1 { N:113.225 } ::sumAvg: 4.57 atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } atom: 729 65N-H N 8.521 ambi=1 { N:121.693 } ::sumAvg: 4.295 atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } atom: 733 65N-HD21 D2 7.553 ambi=2 { ND2:112.154 } :: atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } atom: 734 65N-HD22 D2 6.963 ambi=2 { ND2:112.154 } ::sumAvg: 4.81 atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } atom: 790 71T-HG2 G2 1.556 ambi=1 { CG2:22.712 } ::sumAvg: 4.855 atom: 790 71T-HG2 G2 1.556 ambi=1 { CG2:22.712 } atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } ::sumAvg: 4.855 atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } ::sumAvg: 3.69 atom: 685 61T-HA A 3.879 ambi=1 { CA:67.032 } atom: 845 75F-HZ Z 7.018 ambi=1 { CZ:129.158 } ::sumAvg: 4.25 atom: 695 62Q-HB2 B 2.288 ambi=2 { CB:28.121 } atom: 686 61T-HB B 4.28 ambi=1 { CB:68.976 } :: atom: 696 62Q-HB3 B 2.273 ambi=2 { CB:28.121 } atom: 686 61T-HB B 4.28 ambi=1 { CB:68.976 } ::sumAvg: 4.245 atom: 686 61T-HB B 4.28 ambi=1 { CB:68.976 } atom: 733 65N-HD21 D2 7.553 ambi=2 { ND2:112.154 } :: atom: 686 61T-HB B 4.28 ambi=1 { CB:68.976 } atom: 734 65N-HD22 D2 6.963 ambi=2 { ND2:112.154 } ::sumAvg: 4.465 atom: 687 61T-HG2 G2 1.28 ambi=1 { CG2:21.524 } atom: 695 62Q-HB2 B 2.288 ambi=2 { CB:28.121 } :: atom: 687 61T-HG2 G2 1.28 ambi=1 { CG2:21.524 } atom: 696 62Q-HB3 B 2.273 ambi=2 { CB:28.121 } ::sumAvg: 4.61 atom: 695 62Q-HB2 B 2.288 ambi=2 { CB:28.121 } atom: 687 61T-HG2 G2 1.28 ambi=1 { CG2:21.524 } :: atom: 696 62Q-HB3 B 2.273 ambi=2 { CB:28.121 } atom: 687 61T-HG2 G2 1.28 ambi=1 { CG2:21.524 } ::sumAvg: 4.61 atom: 687 61T-HG2 G2 1.28 ambi=1 { CG2:21.524 } atom: 718 64V-H N 8.167 ambi=1 { N:119.573 } ::sumAvg: 4.83 atom: 687 61T-HG2 G2 1.28 ambi=1 { CG2:21.524 } atom: 720 64V-HB B 2.272 ambi=1 { CB:31.897 } ::sumAvg: 3.93 atom: 687 61T-HG2 G2 1.28 ambi=1 { CG2:21.524 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } ::sumAvg: 4.51 atom: 709 63E-HB2 B 2.46 ambi=2 { CB:30.419 } atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } :: atom: 710 63E-HB3 B 1.999 ambi=2 { CB:30.419 } atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } ::sumAvg: 4.8 atom: 711 63E-HG2 G 2.697 ambi=2 { CG:36.961 } atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } :: atom: 712 63E-HG3 G 2.175 ambi=2 { CG:36.961 } atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } ::sumAvg: 4.27 atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } :: atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } ::sumAvg: 4.955 atom: 731 65N-HB2 B 2.924 ambi=2 { CB:38.023 } atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } :: atom: 732 65N-HB3 B 2.941 ambi=2 { CB:38.023 } atom: 693 62Q-H N 7.833 ambi=1 { N:122.375 } ::sumAvg: 4.89 atom: 694 62Q-HA A 4.033 ambi=1 { CA:58.907 } atom: 699 62Q-HE21 E2 7.909 ambi=2 { NE2:114.445 } :: atom: 694 62Q-HA A 4.033 ambi=1 { CA:58.907 } atom: 700 62Q-HE22 E2 6.884 ambi=2 { NE2:114.445 } ::sumAvg: 3.35 atom: 694 62Q-HA A 4.033 ambi=1 { CA:58.907 } atom: 707 63E-H N 8.434 ambi=1 { N:119.114 } ::sumAvg: 3.535 atom: 694 62Q-HA A 4.033 ambi=1 { CA:58.907 } atom: 740 66D-H N 8.469 ambi=1 { N:117.849 } ::sumAvg: 4.11 atom: 695 62Q-HB2 B 2.288 ambi=2 { CB:28.121 } atom: 699 62Q-HE21 E2 7.909 ambi=2 { NE2:114.445 } :: atom: 695 62Q-HB2 B 2.288 ambi=2 { CB:28.121 } atom: 700 62Q-HE22 E2 6.884 ambi=2 { NE2:114.445 } :: atom: 696 62Q-HB3 B 2.273 ambi=2 { CB:28.121 } atom: 699 62Q-HE21 E2 7.909 ambi=2 { NE2:114.445 } :: atom: 696 62Q-HB3 B 2.273 ambi=2 { CB:28.121 } atom: 700 62Q-HE22 E2 6.884 ambi=2 { NE2:114.445 } ::sumAvg: 3.19 atom: 708 63E-HA A 4.066 ambi=1 { CA:60.083 } atom: 695 62Q-HB2 B 2.288 ambi=2 { CB:28.121 } :: atom: 708 63E-HA A 4.066 ambi=1 { CA:60.083 } atom: 696 62Q-HB3 B 2.273 ambi=2 { CB:28.121 } ::sumAvg: 4.415 atom: 695 62Q-HB2 B 2.288 ambi=2 { CB:28.121 } atom: 711 63E-HG2 G 2.697 ambi=2 { CG:36.961 } :: atom: 696 62Q-HB3 B 2.273 ambi=2 { CB:28.121 } atom: 711 63E-HG2 G 2.697 ambi=2 { CG:36.961 } ::sumAvg: 3.67 atom: 695 62Q-HB2 B 2.288 ambi=2 { CB:28.121 } atom: 731 65N-HB2 B 2.924 ambi=2 { CB:38.023 } :: atom: 695 62Q-HB2 B 2.288 ambi=2 { CB:28.121 } atom: 732 65N-HB3 B 2.941 ambi=2 { CB:38.023 } :: atom: 696 62Q-HB3 B 2.273 ambi=2 { CB:28.121 } atom: 731 65N-HB2 B 2.924 ambi=2 { CB:38.023 } :: atom: 696 62Q-HB3 B 2.273 ambi=2 { CB:28.121 } atom: 732 65N-HB3 B 2.941 ambi=2 { CB:38.023 } ::sumAvg: 4.74 atom: 695 62Q-HB2 B 2.288 ambi=2 { CB:28.121 } atom: 733 65N-HD21 D2 7.553 ambi=2 { ND2:112.154 } :: atom: 695 62Q-HB2 B 2.288 ambi=2 { CB:28.121 } atom: 734 65N-HD22 D2 6.963 ambi=2 { ND2:112.154 } :: atom: 696 62Q-HB3 B 2.273 ambi=2 { CB:28.121 } atom: 733 65N-HD21 D2 7.553 ambi=2 { ND2:112.154 } :: atom: 696 62Q-HB3 B 2.273 ambi=2 { CB:28.121 } atom: 734 65N-HD22 D2 6.963 ambi=2 { ND2:112.154 } ::sumAvg: 4.445 atom: 697 62Q-HG2 G 2.509 ambi=2 { CG:33.398 } atom: 731 65N-HB2 B 2.924 ambi=2 { CB:38.023 } :: atom: 697 62Q-HG2 G 2.509 ambi=2 { CG:33.398 } atom: 732 65N-HB3 B 2.941 ambi=2 { CB:38.023 } :: atom: 698 62Q-HG3 G 2.431 ambi=2 { CG:33.398 } atom: 731 65N-HB2 B 2.924 ambi=2 { CB:38.023 } :: atom: 698 62Q-HG3 G 2.431 ambi=2 { CG:33.398 } atom: 732 65N-HB3 B 2.941 ambi=2 { CB:38.023 } ::sumAvg: 4.545 atom: 731 65N-HB2 B 2.924 ambi=2 { CB:38.023 } atom: 697 62Q-HG2 G 2.509 ambi=2 { CG:33.398 } :: atom: 732 65N-HB3 B 2.941 ambi=2 { CB:38.023 } atom: 697 62Q-HG2 G 2.509 ambi=2 { CG:33.398 } :: atom: 731 65N-HB2 B 2.924 ambi=2 { CB:38.023 } atom: 698 62Q-HG3 G 2.431 ambi=2 { CG:33.398 } :: atom: 732 65N-HB3 B 2.941 ambi=2 { CB:38.023 } atom: 698 62Q-HG3 G 2.431 ambi=2 { CG:33.398 } ::sumAvg: 4.545 atom: 698 62Q-HG3 G 2.431 ambi=2 { CG:33.398 } atom: 742 66D-HB2 B 2.86 ambi=2 { CB:41.203 } ::sumAvg: 3.865 atom: 742 66D-HB2 B 2.86 ambi=2 { CB:41.203 } atom: 698 62Q-HG3 G 2.431 ambi=2 { CG:33.398 } ::sumAvg: 3.865 atom: 731 65N-HB2 B 2.924 ambi=2 { CB:38.023 } atom: 699 62Q-HE21 E2 7.909 ambi=2 { NE2:114.445 } :: atom: 732 65N-HB3 B 2.941 ambi=2 { CB:38.023 } atom: 699 62Q-HE21 E2 7.909 ambi=2 { NE2:114.445 } :: atom: 731 65N-HB2 B 2.924 ambi=2 { CB:38.023 } atom: 700 62Q-HE22 E2 6.884 ambi=2 { NE2:114.445 } :: atom: 732 65N-HB3 B 2.941 ambi=2 { CB:38.023 } atom: 700 62Q-HE22 E2 6.884 ambi=2 { NE2:114.445 } ::sumAvg: 3.605 atom: 742 66D-HB2 B 2.86 ambi=2 { CB:41.203 } atom: 699 62Q-HE21 E2 7.909 ambi=2 { NE2:114.445 } :: atom: 743 66D-HB3 B 2.777 ambi=2 { CB:41.203 } atom: 699 62Q-HE21 E2 7.909 ambi=2 { NE2:114.445 } :: atom: 742 66D-HB2 B 2.86 ambi=2 { CB:41.203 } atom: 700 62Q-HE22 E2 6.884 ambi=2 { NE2:114.445 } :: atom: 743 66D-HB3 B 2.777 ambi=2 { CB:41.203 } atom: 700 62Q-HE22 E2 6.884 ambi=2 { NE2:114.445 } ::sumAvg: 4.81 atom: 720 64V-HB B 2.272 ambi=1 { CB:31.897 } atom: 707 63E-H N 8.434 ambi=1 { N:119.114 } ::sumAvg: 4.905 atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } atom: 707 63E-H N 8.434 ambi=1 { N:119.114 } :: atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } atom: 707 63E-H N 8.434 ambi=1 { N:119.114 } ::sumAvg: 4.095 atom: 708 63E-HA A 4.066 ambi=1 { CA:60.083 } atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } :: atom: 708 63E-HA A 4.066 ambi=1 { CA:60.083 } atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } ::sumAvg: 4.995 atom: 708 63E-HA A 4.066 ambi=1 { CA:60.083 } atom: 729 65N-H N 8.521 ambi=1 { N:121.693 } ::sumAvg: 4.63 atom: 708 63E-HA A 4.066 ambi=1 { CA:60.083 } atom: 742 66D-HB2 B 2.86 ambi=2 { CB:41.203 } :: atom: 708 63E-HA A 4.066 ambi=1 { CA:60.083 } atom: 743 66D-HB3 B 2.777 ambi=2 { CB:41.203 } ::sumAvg: 2.915 atom: 708 63E-HA A 4.066 ambi=1 { CA:60.083 } atom: 748 67G-H N 8.101 ambi=1 { N:108.617 } ::sumAvg: 4.68 atom: 708 63E-HA A 4.066 ambi=1 { CA:60.083 } atom: 758 68K-HG2 G 1.502 ambi=2 { CG:25.231 } :: atom: 708 63E-HA A 4.066 ambi=1 { CA:60.083 } atom: 759 68K-HG3 G 1.415 ambi=2 { CG:25.231 } ::sumAvg: 3.3 atom: 708 63E-HA A 4.066 ambi=1 { CA:60.083 } atom: 771 69A-H N 7.5 ambi=1 { N:120.387 } ::sumAvg: 4.205 atom: 708 63E-HA A 4.066 ambi=1 { CA:60.083 } atom: 773 69A-HB B 1.282 ambi=1 { CB:23.973 } ::sumAvg: 4.26 atom: 719 64V-HA A 4.106 ambi=1 { CA:65.416 } atom: 709 63E-HB2 B 2.46 ambi=2 { CB:30.419 } :: atom: 719 64V-HA A 4.106 ambi=1 { CA:65.416 } atom: 710 63E-HB3 B 1.999 ambi=2 { CB:30.419 } ::sumAvg: 4.435 atom: 756 68K-HB2 B 2.051 ambi=2 { CB:33.445 } atom: 709 63E-HB2 B 2.46 ambi=2 { CB:30.419 } :: atom: 757 68K-HB3 B 1.71 ambi=2 { CB:33.445 } atom: 709 63E-HB2 B 2.46 ambi=2 { CB:30.419 } ::sumAvg: 2.585 atom: 709 63E-HB2 B 2.46 ambi=2 { CB:30.419 } atom: 758 68K-HG2 G 1.502 ambi=2 { CG:25.231 } :: atom: 709 63E-HB2 B 2.46 ambi=2 { CB:30.419 } atom: 759 68K-HG3 G 1.415 ambi=2 { CG:25.231 } :: atom: 710 63E-HB3 B 1.999 ambi=2 { CB:30.419 } atom: 758 68K-HG2 G 1.502 ambi=2 { CG:25.231 } :: atom: 710 63E-HB3 B 1.999 ambi=2 { CB:30.419 } atom: 759 68K-HG3 G 1.415 ambi=2 { CG:25.231 } ::sumAvg: 4.44 atom: 709 63E-HB2 B 2.46 ambi=2 { CB:30.419 } atom: 771 69A-H N 7.5 ambi=1 { N:120.387 } :: atom: 710 63E-HB3 B 1.999 ambi=2 { CB:30.419 } atom: 771 69A-H N 7.5 ambi=1 { N:120.387 } ::sumAvg: 3.315 atom: 709 63E-HB2 B 2.46 ambi=2 { CB:30.419 } atom: 772 69A-HA A 4.606 ambi=1 { CA:50.486 } :: atom: 710 63E-HB3 B 1.999 ambi=2 { CB:30.419 } atom: 772 69A-HA A 4.606 ambi=1 { CA:50.486 } ::sumAvg: 4.835 atom: 772 69A-HA A 4.606 ambi=1 { CA:50.486 } atom: 709 63E-HB2 B 2.46 ambi=2 { CB:30.419 } :: atom: 772 69A-HA A 4.606 ambi=1 { CA:50.486 } atom: 710 63E-HB3 B 1.999 ambi=2 { CB:30.419 } ::sumAvg: 4.835 atom: 709 63E-HB2 B 2.46 ambi=2 { CB:30.419 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } :: atom: 710 63E-HB3 B 1.999 ambi=2 { CB:30.419 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 4.775 atom: 709 63E-HB2 B 2.46 ambi=2 { CB:30.419 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } :: atom: 710 63E-HB3 B 1.999 ambi=2 { CB:30.419 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } ::sumAvg: 3.15 atom: 756 68K-HB2 B 2.051 ambi=2 { CB:33.445 } atom: 711 63E-HG2 G 2.697 ambi=2 { CG:36.961 } :: atom: 757 68K-HB3 B 1.71 ambi=2 { CB:33.445 } atom: 711 63E-HG2 G 2.697 ambi=2 { CG:36.961 } :: atom: 757 68K-HB3 B 1.71 ambi=2 { CB:33.445 } atom: 712 63E-HG3 G 2.175 ambi=2 { CG:36.961 } ::sumAvg: 3.785 atom: 711 63E-HG2 G 2.697 ambi=2 { CG:36.961 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } :: atom: 712 63E-HG3 G 2.175 ambi=2 { CG:36.961 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } ::sumAvg: 4.455 atom: 731 65N-HB2 B 2.924 ambi=2 { CB:38.023 } atom: 718 64V-H N 8.167 ambi=1 { N:119.573 } :: atom: 732 65N-HB3 B 2.941 ambi=2 { CB:38.023 } atom: 718 64V-H N 8.167 ambi=1 { N:119.573 } ::sumAvg: 4.68 atom: 719 64V-HA A 4.106 ambi=1 { CA:65.416 } atom: 748 67G-H N 8.101 ambi=1 { N:108.617 } ::sumAvg: 3.47 atom: 719 64V-HA A 4.106 ambi=1 { CA:65.416 } atom: 754 68K-H N 8.414 ambi=1 { N:118.843 } ::sumAvg: 4.2 atom: 719 64V-HA A 4.106 ambi=1 { CA:65.416 } atom: 772 69A-HA A 4.606 ambi=1 { CA:50.486 } ::sumAvg: 4.995 atom: 772 69A-HA A 4.606 ambi=1 { CA:50.486 } atom: 719 64V-HA A 4.106 ambi=1 { CA:65.416 } ::sumAvg: 4.995 atom: 719 64V-HA A 4.106 ambi=1 { CA:65.416 } atom: 773 69A-HB B 1.282 ambi=1 { CB:23.973 } ::sumAvg: 3.62 atom: 779 70T-HA A 4.723 ambi=1 { CA:59.724 } atom: 719 64V-HA A 4.106 ambi=1 { CA:65.416 } ::sumAvg: 3.66 atom: 719 64V-HA A 4.106 ambi=1 { CA:65.416 } atom: 787 71T-H N 9.012 ambi=1 { N:111.37 } ::sumAvg: 4.875 atom: 720 64V-HB B 2.272 ambi=1 { CB:31.897 } atom: 730 65N-HA A 4.487 ambi=1 { CA:56.263 } ::sumAvg: 4.315 atom: 730 65N-HA A 4.487 ambi=1 { CA:56.263 } atom: 720 64V-HB B 2.272 ambi=1 { CB:31.897 } ::sumAvg: 4.315 atom: 720 64V-HB B 2.272 ambi=1 { CB:31.897 } atom: 731 65N-HB2 B 2.924 ambi=2 { CB:38.023 } :: atom: 720 64V-HB B 2.272 ambi=1 { CB:31.897 } atom: 732 65N-HB3 B 2.941 ambi=2 { CB:38.023 } ::sumAvg: 4.775 atom: 720 64V-HB B 2.272 ambi=1 { CB:31.897 } atom: 733 65N-HD21 D2 7.553 ambi=2 { ND2:112.154 } :: atom: 720 64V-HB B 2.272 ambi=1 { CB:31.897 } atom: 734 65N-HD22 D2 6.963 ambi=2 { ND2:112.154 } ::sumAvg: 4.59 atom: 720 64V-HB B 2.272 ambi=1 { CB:31.897 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } ::sumAvg: 4.69 atom: 749 67G-HA2 A 4.194 ambi=2 { CA:45.96 } atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } :: atom: 750 67G-HA3 A 4.01 ambi=2 { CA:45.96 } atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } :: atom: 749 67G-HA2 A 4.194 ambi=2 { CA:45.96 } atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } :: atom: 750 67G-HA3 A 4.01 ambi=2 { CA:45.96 } atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } ::sumAvg: 4.715 atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } atom: 772 69A-HA A 4.606 ambi=1 { CA:50.486 } :: atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } atom: 772 69A-HA A 4.606 ambi=1 { CA:50.486 } ::sumAvg: 4.845 atom: 779 70T-HA A 4.723 ambi=1 { CA:59.724 } atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } :: atom: 779 70T-HA A 4.723 ambi=1 { CA:59.724 } atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } ::sumAvg: 2.825 atom: 780 70T-HB B 4.696 ambi=1 { CB:70.636 } atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } :: atom: 780 70T-HB B 4.696 ambi=1 { CB:70.636 } atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } ::sumAvg: 4.94 atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } atom: 809 73Q-HB2 B 1.633 ambi=2 { CB:28.613 } :: atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } atom: 809 73Q-HB2 B 1.633 ambi=2 { CB:28.613 } ::sumAvg: 4.71 atom: 809 73Q-HB2 B 1.633 ambi=2 { CB:28.613 } atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } :: atom: 809 73Q-HB2 B 1.633 ambi=2 { CB:28.613 } atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } ::sumAvg: 4.71 atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } :: atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } ::sumAvg: 4.73 atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } :: atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } ::sumAvg: 3.98 atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 721 64V-HG1 G1 1.039 ambi=2 { CG1:21.692 } :: atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 722 64V-HG2 G2 1.033 ambi=2 { CG2:22.436 } ::sumAvg: 3.98 atom: 742 66D-HB2 B 2.86 ambi=2 { CB:41.203 } atom: 729 65N-H N 8.521 ambi=1 { N:121.693 } :: atom: 743 66D-HB3 B 2.777 ambi=2 { CB:41.203 } atom: 729 65N-H N 8.521 ambi=1 { N:121.693 } ::sumAvg: 4.955 atom: 731 65N-HB2 B 2.924 ambi=2 { CB:38.023 } atom: 741 66D-HA A 4.738 ambi=1 { CA:54.82 } :: atom: 732 65N-HB3 B 2.941 ambi=2 { CB:38.023 } atom: 741 66D-HA A 4.738 ambi=1 { CA:54.82 } ::sumAvg: 4.535 atom: 741 66D-HA A 4.738 ambi=1 { CA:54.82 } atom: 731 65N-HB2 B 2.924 ambi=2 { CB:38.023 } :: atom: 741 66D-HA A 4.738 ambi=1 { CA:54.82 } atom: 732 65N-HB3 B 2.941 ambi=2 { CB:38.023 } ::sumAvg: 4.535 atom: 731 65N-HB2 B 2.924 ambi=2 { CB:38.023 } atom: 748 67G-H N 8.101 ambi=1 { N:108.617 } :: atom: 732 65N-HB3 B 2.941 ambi=2 { CB:38.023 } atom: 748 67G-H N 8.101 ambi=1 { N:108.617 } ::sumAvg: 4.97 atom: 741 66D-HA A 4.738 ambi=1 { CA:54.82 } atom: 740 66D-H N 8.469 ambi=1 { N:117.849 } ::sumAvg: 2.92 atom: 749 67G-HA2 A 4.194 ambi=2 { CA:45.96 } atom: 740 66D-H N 8.469 ambi=1 { N:117.849 } :: atom: 750 67G-HA3 A 4.01 ambi=2 { CA:45.96 } atom: 740 66D-H N 8.469 ambi=1 { N:117.849 } ::sumAvg: 4.655 atom: 756 68K-HB2 B 2.051 ambi=2 { CB:33.445 } atom: 740 66D-H N 8.469 ambi=1 { N:117.849 } :: atom: 757 68K-HB3 B 1.71 ambi=2 { CB:33.445 } atom: 740 66D-H N 8.469 ambi=1 { N:117.849 } ::sumAvg: 4.96 atom: 758 68K-HG2 G 1.502 ambi=2 { CG:25.231 } atom: 740 66D-H N 8.469 ambi=1 { N:117.849 } :: atom: 759 68K-HG3 G 1.415 ambi=2 { CG:25.231 } atom: 740 66D-H N 8.469 ambi=1 { N:117.849 } ::sumAvg: 4.415 atom: 741 66D-HA A 4.738 ambi=1 { CA:54.82 } atom: 742 66D-HB2 B 2.86 ambi=2 { CB:41.203 } :: atom: 741 66D-HA A 4.738 ambi=1 { CA:54.82 } atom: 743 66D-HB3 B 2.777 ambi=2 { CB:41.203 } ::sumAvg: 2.555 atom: 741 66D-HA A 4.738 ambi=1 { CA:54.82 } atom: 748 67G-H N 8.101 ambi=1 { N:108.617 } ::sumAvg: 3.355 atom: 741 66D-HA A 4.738 ambi=1 { CA:54.82 } atom: 749 67G-HA2 A 4.194 ambi=2 { CA:45.96 } :: atom: 741 66D-HA A 4.738 ambi=1 { CA:54.82 } atom: 750 67G-HA3 A 4.01 ambi=2 { CA:45.96 } ::sumAvg: 4.58 atom: 749 67G-HA2 A 4.194 ambi=2 { CA:45.96 } atom: 741 66D-HA A 4.738 ambi=1 { CA:54.82 } :: atom: 750 67G-HA3 A 4.01 ambi=2 { CA:45.96 } atom: 741 66D-HA A 4.738 ambi=1 { CA:54.82 } ::sumAvg: 4.58 atom: 741 66D-HA A 4.738 ambi=1 { CA:54.82 } atom: 754 68K-H N 8.414 ambi=1 { N:118.843 } ::sumAvg: 4.66 atom: 741 66D-HA A 4.738 ambi=1 { CA:54.82 } atom: 758 68K-HG2 G 1.502 ambi=2 { CG:25.231 } :: atom: 741 66D-HA A 4.738 ambi=1 { CA:54.82 } atom: 759 68K-HG3 G 1.415 ambi=2 { CG:25.231 } ::sumAvg: 4.72 atom: 758 68K-HG2 G 1.502 ambi=2 { CG:25.231 } atom: 741 66D-HA A 4.738 ambi=1 { CA:54.82 } :: atom: 759 68K-HG3 G 1.415 ambi=2 { CG:25.231 } atom: 741 66D-HA A 4.738 ambi=1 { CA:54.82 } ::sumAvg: 4.72 atom: 742 66D-HB2 B 2.86 ambi=2 { CB:41.203 } atom: 754 68K-H N 8.414 ambi=1 { N:118.843 } :: atom: 743 66D-HB3 B 2.777 ambi=2 { CB:41.203 } atom: 754 68K-H N 8.414 ambi=1 { N:118.843 } ::sumAvg: 2.96 atom: 756 68K-HB2 B 2.051 ambi=2 { CB:33.445 } atom: 742 66D-HB2 B 2.86 ambi=2 { CB:41.203 } :: atom: 757 68K-HB3 B 1.71 ambi=2 { CB:33.445 } atom: 742 66D-HB2 B 2.86 ambi=2 { CB:41.203 } :: atom: 756 68K-HB2 B 2.051 ambi=2 { CB:33.445 } atom: 743 66D-HB3 B 2.777 ambi=2 { CB:41.203 } :: atom: 757 68K-HB3 B 1.71 ambi=2 { CB:33.445 } atom: 743 66D-HB3 B 2.777 ambi=2 { CB:41.203 } ::sumAvg: 3.81 atom: 756 68K-HB2 B 2.051 ambi=2 { CB:33.445 } atom: 748 67G-H N 8.101 ambi=1 { N:108.617 } :: atom: 757 68K-HB3 B 1.71 ambi=2 { CB:33.445 } atom: 748 67G-H N 8.101 ambi=1 { N:108.617 } ::sumAvg: 4.745 atom: 758 68K-HG2 G 1.502 ambi=2 { CG:25.231 } atom: 749 67G-HA2 A 4.194 ambi=2 { CA:45.96 } :: atom: 759 68K-HG3 G 1.415 ambi=2 { CG:25.231 } atom: 749 67G-HA2 A 4.194 ambi=2 { CA:45.96 } :: atom: 758 68K-HG2 G 1.502 ambi=2 { CG:25.231 } atom: 750 67G-HA3 A 4.01 ambi=2 { CA:45.96 } :: atom: 759 68K-HG3 G 1.415 ambi=2 { CG:25.231 } atom: 750 67G-HA3 A 4.01 ambi=2 { CA:45.96 } ::sumAvg: 4.9 atom: 755 68K-HA A 4.3 ambi=1 { CA:56.292 } atom: 762 68K-QE E 3.029 ambi=2 { CE:42.219 } ::sumAvg: 3.135 atom: 755 68K-HA A 4.3 ambi=1 { CA:56.292 } atom: 773 69A-HB B 1.282 ambi=1 { CB:23.973 } ::sumAvg: 4.68 atom: 773 69A-HB B 1.282 ambi=1 { CB:23.973 } atom: 755 68K-HA A 4.3 ambi=1 { CA:56.292 } ::sumAvg: 4.68 atom: 756 68K-HB2 B 2.051 ambi=2 { CB:33.445 } atom: 762 68K-QE E 3.029 ambi=2 { CE:42.219 } :: atom: 757 68K-HB3 B 1.71 ambi=2 { CB:33.445 } atom: 762 68K-QE E 3.029 ambi=2 { CE:42.219 } ::sumAvg: 3.2 atom: 756 68K-HB2 B 2.051 ambi=2 { CB:33.445 } atom: 772 69A-HA A 4.606 ambi=1 { CA:50.486 } :: atom: 757 68K-HB3 B 1.71 ambi=2 { CB:33.445 } atom: 772 69A-HA A 4.606 ambi=1 { CA:50.486 } ::sumAvg: 4.85 atom: 772 69A-HA A 4.606 ambi=1 { CA:50.486 } atom: 756 68K-HB2 B 2.051 ambi=2 { CB:33.445 } :: atom: 772 69A-HA A 4.606 ambi=1 { CA:50.486 } atom: 757 68K-HB3 B 1.71 ambi=2 { CB:33.445 } ::sumAvg: 4.85 atom: 756 68K-HB2 B 2.051 ambi=2 { CB:33.445 } atom: 773 69A-HB B 1.282 ambi=1 { CB:23.973 } :: atom: 757 68K-HB3 B 1.71 ambi=2 { CB:33.445 } atom: 773 69A-HB B 1.282 ambi=1 { CB:23.973 } ::sumAvg: 3.56 atom: 779 70T-HA A 4.723 ambi=1 { CA:59.724 } atom: 771 69A-H N 7.5 ambi=1 { N:120.387 } ::sumAvg: 4.915 atom: 781 70T-HG2 G2 1.237 ambi=1 { CG2:21.889 } atom: 772 69A-HA A 4.606 ambi=1 { CA:50.486 } ::sumAvg: 3.68 atom: 772 69A-HA A 4.606 ambi=1 { CA:50.486 } atom: 809 73Q-HB2 B 1.633 ambi=2 { CB:28.613 } :: atom: 772 69A-HA A 4.606 ambi=1 { CA:50.486 } atom: 810 73Q-HB3 B 1.337 ambi=2 { CB:28.613 } ::sumAvg: 4.775 atom: 772 69A-HA A 4.606 ambi=1 { CA:50.486 } atom: 813 73Q-HE21 E2 6.98 ambi=2 { NE2:112.266 } :: atom: 772 69A-HA A 4.606 ambi=1 { CA:50.486 } atom: 814 73Q-HE22 E2 6.62 ambi=2 { NE2:112.266 } ::sumAvg: 4.2 atom: 772 69A-HA A 4.606 ambi=1 { CA:50.486 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } ::sumAvg: 4.725 atom: 773 69A-HB B 1.282 ambi=1 { CB:23.973 } atom: 779 70T-HA A 4.723 ambi=1 { CA:59.724 } ::sumAvg: 4.12 atom: 779 70T-HA A 4.723 ambi=1 { CA:59.724 } atom: 773 69A-HB B 1.282 ambi=1 { CB:23.973 } ::sumAvg: 4.12 atom: 773 69A-HB B 1.282 ambi=1 { CB:23.973 } atom: 807 73Q-H N 7.299 ambi=1 { N:116.865 } ::sumAvg: 4.68 atom: 779 70T-HA A 4.723 ambi=1 { CA:59.724 } atom: 778 70T-H N 7.974 ambi=1 { N:109.871 } ::sumAvg: 2.955 atom: 780 70T-HB B 4.696 ambi=1 { CB:70.636 } atom: 778 70T-H N 7.974 ambi=1 { N:109.871 } ::sumAvg: 3.33 atom: 779 70T-HA A 4.723 ambi=1 { CA:59.724 } atom: 781 70T-HG2 G2 1.237 ambi=1 { CG2:21.889 } ::sumAvg: 2.81 atom: 779 70T-HA A 4.723 ambi=1 { CA:59.724 } atom: 787 71T-H N 9.012 ambi=1 { N:111.37 } ::sumAvg: 2.32 atom: 779 70T-HA A 4.723 ambi=1 { CA:59.724 } atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } ::sumAvg: 4.365 atom: 779 70T-HA A 4.723 ambi=1 { CA:59.724 } atom: 790 71T-HG2 G2 1.556 ambi=1 { CG2:22.712 } ::sumAvg: 4.575 atom: 779 70T-HA A 4.723 ambi=1 { CA:59.724 } atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } ::sumAvg: 4.13 atom: 779 70T-HA A 4.723 ambi=1 { CA:59.724 } atom: 807 73Q-H N 7.299 ambi=1 { N:116.865 } ::sumAvg: 4.785 atom: 780 70T-HB B 4.696 ambi=1 { CB:70.636 } atom: 798 72E-HB2 B 1.994 ambi=2 { CB:28.903 } :: atom: 780 70T-HB B 4.696 ambi=1 { CB:70.636 } atom: 799 72E-HB3 B 2.124 ambi=2 { CB:28.903 } ::sumAvg: 3.76 atom: 798 72E-HB2 B 1.994 ambi=2 { CB:28.903 } atom: 780 70T-HB B 4.696 ambi=1 { CB:70.636 } :: atom: 799 72E-HB3 B 2.124 ambi=2 { CB:28.903 } atom: 780 70T-HB B 4.696 ambi=1 { CB:70.636 } ::sumAvg: 3.76 atom: 780 70T-HB B 4.696 ambi=1 { CB:70.636 } atom: 807 73Q-H N 7.299 ambi=1 { N:116.865 } ::sumAvg: 4.04 atom: 798 72E-HB2 B 1.994 ambi=2 { CB:28.903 } atom: 781 70T-HG2 G2 1.237 ambi=1 { CG2:21.889 } :: atom: 799 72E-HB3 B 2.124 ambi=2 { CB:28.903 } atom: 781 70T-HG2 G2 1.237 ambi=1 { CG2:21.889 } ::sumAvg: 3.07 atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } atom: 787 71T-H N 9.012 ambi=1 { N:111.37 } ::sumAvg: 2.815 atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } atom: 787 71T-H N 9.012 ambi=1 { N:111.37 } ::sumAvg: 3.165 atom: 798 72E-HB2 B 1.994 ambi=2 { CB:28.903 } atom: 787 71T-H N 9.012 ambi=1 { N:111.37 } :: atom: 799 72E-HB3 B 2.124 ambi=2 { CB:28.903 } atom: 787 71T-H N 9.012 ambi=1 { N:111.37 } ::sumAvg: 4.84 atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } atom: 807 73Q-H N 7.299 ambi=1 { N:116.865 } ::sumAvg: 4.205 atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } atom: 809 73Q-HB2 B 1.633 ambi=2 { CB:28.613 } :: atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } atom: 810 73Q-HB3 B 1.337 ambi=2 { CB:28.613 } ::sumAvg: 4.975 atom: 809 73Q-HB2 B 1.633 ambi=2 { CB:28.613 } atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } :: atom: 810 73Q-HB3 B 1.337 ambi=2 { CB:28.613 } atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } ::sumAvg: 4.975 atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } ::sumAvg: 3.705 atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } :: atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } ::sumAvg: 3.72 atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } :: atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } ::sumAvg: 3.72 atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 3.365 atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } ::sumAvg: 3.985 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } ::sumAvg: 4.095 atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } atom: 841 75F-QD D 7.14 ambi=3 { CD1:131.554 } ::sumAvg: 2.465 atom: 788 71T-HA A 4.142 ambi=1 { CA:65.088 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } ::sumAvg: 3.275 atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } ::sumAvg: 3.375 atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } atom: 797 72E-HA A 3.857 ambi=1 { CA:59.904 } ::sumAvg: 4.41 atom: 797 72E-HA A 3.857 ambi=1 { CA:59.904 } atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } ::sumAvg: 4.41 atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } ::sumAvg: 4.825 atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } :: atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } ::sumAvg: 3.795 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } ::sumAvg: 3.795 atom: 789 71T-HB B 4.505 ambi=1 { CB:69.035 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } ::sumAvg: 4.905 atom: 790 71T-HG2 G2 1.556 ambi=1 { CG2:22.712 } atom: 797 72E-HA A 3.857 ambi=1 { CA:59.904 } ::sumAvg: 4.88 atom: 797 72E-HA A 3.857 ambi=1 { CA:59.904 } atom: 790 71T-HG2 G2 1.556 ambi=1 { CG2:22.712 } ::sumAvg: 4.88 atom: 790 71T-HG2 G2 1.556 ambi=1 { CG2:22.712 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 4.745 atom: 790 71T-HG2 G2 1.556 ambi=1 { CG2:22.712 } atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } ::sumAvg: 4.805 atom: 790 71T-HG2 G2 1.556 ambi=1 { CG2:22.712 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } ::sumAvg: 2.97 atom: 790 71T-HG2 G2 1.556 ambi=1 { CG2:22.712 } atom: 845 75F-HZ Z 7.018 ambi=1 { CZ:129.158 } ::sumAvg: 4.37 atom: 809 73Q-HB2 B 1.633 ambi=2 { CB:28.613 } atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } :: atom: 810 73Q-HB3 B 1.337 ambi=2 { CB:28.613 } atom: 796 72E-H N 8.835 ambi=1 { N:122.152 } ::sumAvg: 4.97 atom: 797 72E-HA A 3.857 ambi=1 { CA:59.904 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } ::sumAvg: 4.155 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 797 72E-HA A 3.857 ambi=1 { CA:59.904 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 797 72E-HA A 3.857 ambi=1 { CA:59.904 } ::sumAvg: 4.01 atom: 797 72E-HA A 3.857 ambi=1 { CA:59.904 } atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } ::sumAvg: 4.885 atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 797 72E-HA A 3.857 ambi=1 { CA:59.904 } ::sumAvg: 4.885 atom: 797 72E-HA A 3.857 ambi=1 { CA:59.904 } atom: 857 76V-HB B 2.183 ambi=1 { CB:31.091 } ::sumAvg: 3.96 atom: 857 76V-HB B 2.183 ambi=1 { CB:31.091 } atom: 797 72E-HA A 3.857 ambi=1 { CA:59.904 } ::sumAvg: 3.96 atom: 798 72E-HB2 B 1.994 ambi=2 { CB:28.903 } atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } :: atom: 799 72E-HB3 B 2.124 ambi=2 { CB:28.903 } atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } ::sumAvg: 4.245 atom: 810 73Q-HB3 B 1.337 ambi=2 { CB:28.613 } atom: 798 72E-HB2 B 1.994 ambi=2 { CB:28.903 } :: atom: 809 73Q-HB2 B 1.633 ambi=2 { CB:28.613 } atom: 799 72E-HB3 B 2.124 ambi=2 { CB:28.903 } :: atom: 810 73Q-HB3 B 1.337 ambi=2 { CB:28.613 } atom: 799 72E-HB3 B 2.124 ambi=2 { CB:28.903 } ::sumAvg: 4.235 atom: 800 72E-HG2 G 2.294 ambi=2 { CG:36.535 } atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } :: atom: 801 72E-HG3 G 2.357 ambi=2 { CG:36.535 } atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } ::sumAvg: 4.08 atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } atom: 800 72E-HG2 G 2.294 ambi=2 { CG:36.535 } :: atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } atom: 801 72E-HG3 G 2.357 ambi=2 { CG:36.535 } ::sumAvg: 4.08 atom: 800 72E-HG2 G 2.294 ambi=2 { CG:36.535 } atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } :: atom: 801 72E-HG3 G 2.357 ambi=2 { CG:36.535 } atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } ::sumAvg: 4.815 atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } atom: 813 73Q-HE21 E2 6.98 ambi=2 { NE2:112.266 } :: atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } atom: 814 73Q-HE22 E2 6.62 ambi=2 { NE2:112.266 } ::sumAvg: 4.675 atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } ::sumAvg: 3.485 atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } ::sumAvg: 4.64 atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } ::sumAvg: 4.64 atom: 857 76V-HB B 2.183 ambi=1 { CB:31.091 } atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } ::sumAvg: 4.9 atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } :: atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } ::sumAvg: 4.885 atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } :: atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } ::sumAvg: 4.885 atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } :: atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } atom: 808 73Q-HA A 3.643 ambi=1 { CA:57.963 } ::sumAvg: 3.255 atom: 809 73Q-HB2 B 1.633 ambi=2 { CB:28.613 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } :: atom: 810 73Q-HB3 B 1.337 ambi=2 { CB:28.613 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } ::sumAvg: 3.02 atom: 809 73Q-HB2 B 1.633 ambi=2 { CB:28.613 } atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } :: atom: 810 73Q-HB3 B 1.337 ambi=2 { CB:28.613 } atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } ::sumAvg: 4.63 atom: 809 73Q-HB2 B 1.633 ambi=2 { CB:28.613 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } :: atom: 810 73Q-HB3 B 1.337 ambi=2 { CB:28.613 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 3.55 atom: 809 73Q-HB2 B 1.633 ambi=2 { CB:28.613 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } :: atom: 810 73Q-HB3 B 1.337 ambi=2 { CB:28.613 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } ::sumAvg: 3.82 atom: 811 73Q-HG2 G 1.828 ambi=2 { CG:33.203 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } :: atom: 812 73Q-HG3 G 1.317 ambi=2 { CG:33.203 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } ::sumAvg: 4.47 atom: 811 73Q-HG2 G 1.828 ambi=2 { CG:33.203 } atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } :: atom: 812 73Q-HG3 G 1.317 ambi=2 { CG:33.203 } atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } ::sumAvg: 4.705 atom: 811 73Q-HG2 G 1.828 ambi=2 { CG:33.203 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } :: atom: 812 73Q-HG3 G 1.317 ambi=2 { CG:33.203 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 4.55 atom: 811 73Q-HG2 G 1.828 ambi=2 { CG:33.203 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } :: atom: 812 73Q-HG3 G 1.317 ambi=2 { CG:33.203 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } ::sumAvg: 4.25 atom: 811 73Q-HG2 G 1.828 ambi=2 { CG:33.203 } atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } :: atom: 811 73Q-HG2 G 1.828 ambi=2 { CG:33.203 } atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } :: atom: 812 73Q-HG3 G 1.317 ambi=2 { CG:33.203 } atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } :: atom: 812 73Q-HG3 G 1.317 ambi=2 { CG:33.203 } atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } ::sumAvg: 4.295 atom: 811 73Q-HG2 G 1.828 ambi=2 { CG:33.203 } atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } :: atom: 811 73Q-HG2 G 1.828 ambi=2 { CG:33.203 } atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } :: atom: 812 73Q-HG3 G 1.317 ambi=2 { CG:33.203 } atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } ::sumAvg: 4.535 atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } atom: 811 73Q-HG2 G 1.828 ambi=2 { CG:33.203 } :: atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } atom: 811 73Q-HG2 G 1.828 ambi=2 { CG:33.203 } :: atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } atom: 812 73Q-HG3 G 1.317 ambi=2 { CG:33.203 } ::sumAvg: 4.535 atom: 811 73Q-HG2 G 1.828 ambi=2 { CG:33.203 } atom: 942 83R-HD2 D 2.997 ambi=2 { CD:43.445 } :: atom: 811 73Q-HG2 G 1.828 ambi=2 { CG:33.203 } atom: 943 83R-HD3 D 3.159 ambi=2 { CD:43.445 } :: atom: 812 73Q-HG3 G 1.317 ambi=2 { CG:33.203 } atom: 942 83R-HD2 D 2.997 ambi=2 { CD:43.445 } :: atom: 812 73Q-HG3 G 1.317 ambi=2 { CG:33.203 } atom: 943 83R-HD3 D 3.159 ambi=2 { CD:43.445 } ::sumAvg: 3.47 atom: 942 83R-HD2 D 2.997 ambi=2 { CD:43.445 } atom: 813 73Q-HE21 E2 6.98 ambi=2 { NE2:112.266 } :: atom: 943 83R-HD3 D 3.159 ambi=2 { CD:43.445 } atom: 813 73Q-HE21 E2 6.98 ambi=2 { NE2:112.266 } :: atom: 942 83R-HD2 D 2.997 ambi=2 { CD:43.445 } atom: 814 73Q-HE22 E2 6.62 ambi=2 { NE2:112.266 } :: atom: 943 83R-HD3 D 3.159 ambi=2 { CD:43.445 } atom: 814 73Q-HE22 E2 6.62 ambi=2 { NE2:112.266 } ::sumAvg: 4.425 atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } :: atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } ::sumAvg: 2.585 atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } ::sumAvg: 4.965 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } ::sumAvg: 4.37 atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } :: atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } ::sumAvg: 4.79 atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } :: atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } atom: 821 74Y-H N 6.303 ambi=1 { N:112.803 } ::sumAvg: 4.61 atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } :: atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } ::sumAvg: 2.495 atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } ::sumAvg: 4.47 atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } ::sumAvg: 3.435 atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } ::sumAvg: 4.64 atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } ::sumAvg: 4.64 atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } atom: 841 75F-QD D 7.14 ambi=3 { CD1:131.554 } ::sumAvg: 4.905 atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } ::sumAvg: 4.785 atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } :: atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } ::sumAvg: 3.875 atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } ::sumAvg: 4.28 atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } :: atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } ::sumAvg: 4.535 atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } :: atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } ::sumAvg: 4.535 atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } :: atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } ::sumAvg: 2.955 atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } atom: 942 83R-HD2 D 2.997 ambi=2 { CD:43.445 } :: atom: 822 74Y-HA A 4.068 ambi=1 { CA:56.811 } atom: 943 83R-HD3 D 3.159 ambi=2 { CD:43.445 } ::sumAvg: 4.6 atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } :: atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } ::sumAvg: 4.435 atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } :: atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } ::sumAvg: 2.9 atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } :: atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } ::sumAvg: 4.38 atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } :: atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } ::sumAvg: 4.38 atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } :: atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } :: atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } :: atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } ::sumAvg: 4.595 atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 841 75F-QD D 7.14 ambi=3 { CD1:131.554 } :: atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } atom: 841 75F-QD D 7.14 ambi=3 { CD1:131.554 } ::sumAvg: 2.52 atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } :: atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } ::sumAvg: 3.285 atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 909 80L-HA A 4.025 ambi=1 { CA:58.699 } :: atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } atom: 909 80L-HA A 4.025 ambi=1 { CA:58.699 } ::sumAvg: 4.68 atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } ::sumAvg: 3.595 atom: 823 74Y-HB2 B 1.648 ambi=2 { CB:40.195 } atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } :: atom: 824 74Y-HB3 B 1.309 ambi=2 { CB:40.195 } atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } ::sumAvg: 4.205 atom: 909 80L-HA A 4.025 ambi=1 { CA:58.699 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 4.425 atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } :: atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 4.4 atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } :: atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } atom: 825 74Y-QD D 5.638 ambi=3 { CD1:130.591 } ::sumAvg: 3.645 atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } :: atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } ::sumAvg: 4.405 atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } :: atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } ::sumAvg: 3.26 atom: 942 83R-HD2 D 2.997 ambi=2 { CD:43.445 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } :: atom: 943 83R-HD3 D 3.159 ambi=2 { CD:43.445 } atom: 827 74Y-QE E 5.998 ambi=3 { CE1:117.252 } ::sumAvg: 3.085 atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } ::sumAvg: 2.845 atom: 857 76V-HB B 2.183 ambi=1 { CB:31.091 } atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } ::sumAvg: 4.86 atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } :: atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } ::sumAvg: 4.17 atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } :: atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } ::sumAvg: 4.525 atom: 910 80L-HB2 B 1.96 ambi=2 { CB:40.812 } atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } :: atom: 911 80L-HB3 B 1.585 ambi=2 { CB:40.812 } atom: 837 75F-H N 7.747 ambi=1 { N:107.83 } ::sumAvg: 4.5 atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } ::sumAvg: 4.675 atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } atom: 871 77L-HD1 D1 1.03 ambi=2 { CD1:26.806 } :: atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } atom: 872 77L-HD2 D2 0.874 ambi=2 { CD2:22.308 } ::sumAvg: 4.26 atom: 871 77L-HD1 D1 1.03 ambi=2 { CD1:26.806 } atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } :: atom: 872 77L-HD2 D2 0.874 ambi=2 { CD2:22.308 } atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } ::sumAvg: 4.26 atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } ::sumAvg: 4.995 atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } atom: 910 80L-HB2 B 1.96 ambi=2 { CB:40.812 } :: atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } atom: 911 80L-HB3 B 1.585 ambi=2 { CB:40.812 } ::sumAvg: 3.3 atom: 910 80L-HB2 B 1.96 ambi=2 { CB:40.812 } atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } :: atom: 911 80L-HB3 B 1.585 ambi=2 { CB:40.812 } atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } ::sumAvg: 3.3 atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } :: atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } ::sumAvg: 3.17 atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } :: atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } atom: 838 75F-HA A 4.657 ambi=1 { CA:57.677 } ::sumAvg: 3.17 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 843 75F-QE E 6.787 ambi=3 { CE1:130.619 } ::sumAvg: 4.425 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } ::sumAvg: 3.185 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } ::sumAvg: 4.715 atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } :: atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } ::sumAvg: 4.715 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } :: atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } ::sumAvg: 4.105 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 871 77L-HD1 D1 1.03 ambi=2 { CD1:26.806 } :: atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 872 77L-HD2 D2 0.874 ambi=2 { CD2:22.308 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 871 77L-HD1 D1 1.03 ambi=2 { CD1:26.806 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 872 77L-HD2 D2 0.874 ambi=2 { CD2:22.308 } ::sumAvg: 4.845 atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } :: atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } :: atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } ::sumAvg: 4.92 atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } :: atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } atom: 839 75F-HB2 B 2.947 ambi=2 { CB:39.703 } :: atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } :: atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } atom: 840 75F-HB3 B 2.304 ambi=2 { CB:39.703 } ::sumAvg: 4.92 atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } ::sumAvg: 2.85 atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } :: atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } atom: 855 76V-H N 7.013 ambi=1 { N:120.734 } ::sumAvg: 3.435 atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 857 76V-HB B 2.183 ambi=1 { CB:31.091 } ::sumAvg: 3.055 atom: 857 76V-HB B 2.183 ambi=1 { CB:31.091 } atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } ::sumAvg: 3.055 atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } :: atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } ::sumAvg: 2.415 atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } ::sumAvg: 2.24 atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 867 77L-HA A 4.036 ambi=1 { CA:59.047 } ::sumAvg: 4.205 atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 868 77L-HB2 B 1.607 ambi=2 { CB:40.901 } :: atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 869 77L-HB3 B 2.547 ambi=2 { CB:40.901 } ::sumAvg: 4.86 atom: 868 77L-HB2 B 1.607 ambi=2 { CB:40.901 } atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } :: atom: 869 77L-HB3 B 2.547 ambi=2 { CB:40.901 } atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } ::sumAvg: 4.86 atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } ::sumAvg: 3.725 atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } ::sumAvg: 3.725 atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 871 77L-HD1 D1 1.03 ambi=2 { CD1:26.806 } :: atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 872 77L-HD2 D2 0.874 ambi=2 { CD2:22.308 } ::sumAvg: 3.535 atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } ::sumAvg: 4.505 atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 897 79N-H N 7.333 ambi=1 { N:121.445 } ::sumAvg: 4.77 atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } :: atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } ::sumAvg: 4.76 atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } :: atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } atom: 856 76V-HA A 4.768 ambi=1 { CA:63.034 } ::sumAvg: 4.76 atom: 857 76V-HB B 2.183 ambi=1 { CB:31.091 } atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } ::sumAvg: 4.09 atom: 857 76V-HB B 2.183 ambi=1 { CB:31.091 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } ::sumAvg: 4.44 atom: 884 78K-HG2 G 1.209 ambi=2 { CG:23.638 } atom: 857 76V-HB B 2.183 ambi=1 { CB:31.091 } :: atom: 885 78K-HG3 G 1.104 ambi=2 { CG:23.638 } atom: 857 76V-HB B 2.183 ambi=1 { CB:31.091 } ::sumAvg: 3.78 atom: 857 76V-HB B 2.183 ambi=1 { CB:31.091 } atom: 888 78K-HE2 E 2.756 ambi=2 { CE:42.067 } :: atom: 857 76V-HB B 2.183 ambi=1 { CB:31.091 } atom: 889 78K-HE3 E 2.805 ambi=2 { CE:42.067 } ::sumAvg: 4.3 atom: 857 76V-HB B 2.183 ambi=1 { CB:31.091 } atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } :: atom: 857 76V-HB B 2.183 ambi=1 { CB:31.091 } atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } ::sumAvg: 2.53 atom: 857 76V-HB B 2.183 ambi=1 { CB:31.091 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } ::sumAvg: 4.14 atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } atom: 867 77L-HA A 4.036 ambi=1 { CA:59.047 } :: atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } atom: 867 77L-HA A 4.036 ambi=1 { CA:59.047 } ::sumAvg: 4.38 atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } :: atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } ::sumAvg: 4.69 atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } atom: 886 78K-HD2 D 1.485 ambi=2 { CD:29.54 } ::sumAvg: 3.505 atom: 886 78K-HD2 D 1.485 ambi=2 { CD:29.54 } atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } ::sumAvg: 3.505 atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } :: atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } ::sumAvg: 4.965 atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } :: atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } ::sumAvg: 4.965 atom: 858 76V-HG1 G1 1.028 ambi=2 { CG1:21.913 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } :: atom: 859 76V-HG2 G2 1.091 ambi=2 { CG2:24.153 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } ::sumAvg: 4.365 atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } atom: 866 77L-H N 8.87 ambi=1 { N:131.522 } ::sumAvg: 2.23 atom: 867 77L-HA A 4.036 ambi=1 { CA:59.047 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } ::sumAvg: 3.575 atom: 867 77L-HA A 4.036 ambi=1 { CA:59.047 } atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } ::sumAvg: 4.555 atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } atom: 867 77L-HA A 4.036 ambi=1 { CA:59.047 } ::sumAvg: 4.555 atom: 867 77L-HA A 4.036 ambi=1 { CA:59.047 } atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } ::sumAvg: 4.425 atom: 868 77L-HB2 B 1.607 ambi=2 { CB:40.901 } atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } :: atom: 869 77L-HB3 B 2.547 ambi=2 { CB:40.901 } atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } ::sumAvg: 4.43 atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } atom: 868 77L-HB2 B 1.607 ambi=2 { CB:40.901 } :: atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } atom: 869 77L-HB3 B 2.547 ambi=2 { CB:40.901 } ::sumAvg: 4.43 atom: 882 78K-HB2 B 1.835 ambi=2 { CB:31.138 } atom: 869 77L-HB3 B 2.547 ambi=2 { CB:40.901 } :: atom: 883 78K-HB3 B 1.603 ambi=2 { CB:31.138 } atom: 869 77L-HB3 B 2.547 ambi=2 { CB:40.901 } ::sumAvg: 4.52 atom: 868 77L-HB2 B 1.607 ambi=2 { CB:40.901 } atom: 922 81A-H N 8.579 ambi=1 { N:118.122 } :: atom: 869 77L-HB3 B 2.547 ambi=2 { CB:40.901 } atom: 922 81A-H N 8.579 ambi=1 { N:118.122 } ::sumAvg: 4.985 atom: 869 77L-HB3 B 2.547 ambi=2 { CB:40.901 } atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } ::sumAvg: 4.345 atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } atom: 869 77L-HB3 B 2.547 ambi=2 { CB:40.901 } ::sumAvg: 4.345 atom: 870 77L-HG G 2.224 ambi=1 { CG:26.806 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } ::sumAvg: 4.33 atom: 871 77L-HD1 D1 1.03 ambi=2 { CD1:26.806 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } :: atom: 872 77L-HD2 D2 0.874 ambi=2 { CD2:22.308 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } ::sumAvg: 4.585 atom: 871 77L-HD1 D1 1.03 ambi=2 { CD1:26.806 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } :: atom: 872 77L-HD2 D2 0.874 ambi=2 { CD2:22.308 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } ::sumAvg: 4.845 atom: 888 78K-HE2 E 2.756 ambi=2 { CE:42.067 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } :: atom: 889 78K-HE3 E 2.805 ambi=2 { CE:42.067 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } ::sumAvg: 4.685 atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } :: atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } ::sumAvg: 4.875 atom: 910 80L-HB2 B 1.96 ambi=2 { CB:40.812 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } :: atom: 911 80L-HB3 B 1.585 ambi=2 { CB:40.812 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } ::sumAvg: 4.965 atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } atom: 880 78K-H N 9.537 ambi=1 { N:116.623 } ::sumAvg: 4.565 atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } atom: 884 78K-HG2 G 1.209 ambi=2 { CG:23.638 } :: atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } atom: 885 78K-HG3 G 1.104 ambi=2 { CG:23.638 } ::sumAvg: 3.785 atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } atom: 886 78K-HD2 D 1.485 ambi=2 { CD:29.54 } :: atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } atom: 887 78K-HD3 D 1.373 ambi=2 { CD:29.54 } ::sumAvg: 4.535 atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } ::sumAvg: 4.825 atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } ::sumAvg: 4.825 atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } ::sumAvg: 4.855 atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } ::sumAvg: 2.62 atom: 881 78K-HA A 4.201 ambi=1 { CA:59.103 } atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } ::sumAvg: 4.83 atom: 882 78K-HB2 B 1.835 ambi=2 { CB:31.138 } atom: 888 78K-HE2 E 2.756 ambi=2 { CE:42.067 } :: atom: 882 78K-HB2 B 1.835 ambi=2 { CB:31.138 } atom: 889 78K-HE3 E 2.805 ambi=2 { CE:42.067 } :: atom: 883 78K-HB3 B 1.603 ambi=2 { CB:31.138 } atom: 888 78K-HE2 E 2.756 ambi=2 { CE:42.067 } :: atom: 883 78K-HB3 B 1.603 ambi=2 { CB:31.138 } atom: 889 78K-HE3 E 2.805 ambi=2 { CE:42.067 } ::sumAvg: 4.465 atom: 882 78K-HB2 B 1.835 ambi=2 { CB:31.138 } atom: 897 79N-H N 7.333 ambi=1 { N:121.445 } :: atom: 883 78K-HB3 B 1.603 ambi=2 { CB:31.138 } atom: 897 79N-H N 7.333 ambi=1 { N:121.445 } ::sumAvg: 3.84 atom: 882 78K-HB2 B 1.835 ambi=2 { CB:31.138 } atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } :: atom: 883 78K-HB3 B 1.603 ambi=2 { CB:31.138 } atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } ::sumAvg: 4.605 atom: 884 78K-HG2 G 1.209 ambi=2 { CG:23.638 } atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } :: atom: 885 78K-HG3 G 1.104 ambi=2 { CG:23.638 } atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } ::sumAvg: 4.125 atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } atom: 884 78K-HG2 G 1.209 ambi=2 { CG:23.638 } :: atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } atom: 885 78K-HG3 G 1.104 ambi=2 { CG:23.638 } ::sumAvg: 4.125 atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } atom: 884 78K-HG2 G 1.209 ambi=2 { CG:23.638 } :: atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } atom: 884 78K-HG2 G 1.209 ambi=2 { CG:23.638 } :: atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } atom: 885 78K-HG3 G 1.104 ambi=2 { CG:23.638 } :: atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } atom: 885 78K-HG3 G 1.104 ambi=2 { CG:23.638 } ::sumAvg: 4.215 atom: 884 78K-HG2 G 1.209 ambi=2 { CG:23.638 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } :: atom: 885 78K-HG3 G 1.104 ambi=2 { CG:23.638 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } ::sumAvg: 4.925 atom: 886 78K-HD2 D 1.485 ambi=2 { CD:29.54 } atom: 897 79N-H N 7.333 ambi=1 { N:121.445 } :: atom: 887 78K-HD3 D 1.373 ambi=2 { CD:29.54 } atom: 897 79N-H N 7.333 ambi=1 { N:121.445 } ::sumAvg: 3.625 atom: 886 78K-HD2 D 1.485 ambi=2 { CD:29.54 } atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } :: atom: 887 78K-HD3 D 1.373 ambi=2 { CD:29.54 } atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } ::sumAvg: 4.445 atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } atom: 886 78K-HD2 D 1.485 ambi=2 { CD:29.54 } :: atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } atom: 887 78K-HD3 D 1.373 ambi=2 { CD:29.54 } ::sumAvg: 4.445 atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } atom: 897 79N-H N 7.333 ambi=1 { N:121.445 } ::sumAvg: 4.615 atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } atom: 897 79N-H N 7.333 ambi=1 { N:121.445 } ::sumAvg: 4.63 atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } atom: 909 80L-HA A 4.025 ambi=1 { CA:58.699 } ::sumAvg: 4.95 atom: 909 80L-HA A 4.025 ambi=1 { CA:58.699 } atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } ::sumAvg: 4.95 atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } atom: 922 81A-H N 8.579 ambi=1 { N:118.122 } ::sumAvg: 4.39 atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } ::sumAvg: 4.86 atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } ::sumAvg: 4.86 atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } ::sumAvg: 4.175 atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } :: atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } ::sumAvg: 4.275 atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } :: atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } atom: 898 79N-HA A 4.647 ambi=1 { CA:54.564 } ::sumAvg: 4.275 atom: 910 80L-HB2 B 1.96 ambi=2 { CB:40.812 } atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } :: atom: 911 80L-HB3 B 1.585 ambi=2 { CB:40.812 } atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } :: atom: 910 80L-HB2 B 1.96 ambi=2 { CB:40.812 } atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } :: atom: 911 80L-HB3 B 1.585 ambi=2 { CB:40.812 } atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } ::sumAvg: 4.265 atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } atom: 922 81A-H N 8.579 ambi=1 { N:118.122 } :: atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } atom: 922 81A-H N 8.579 ambi=1 { N:118.122 } ::sumAvg: 4.935 atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } :: atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } ::sumAvg: 4.11 atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } :: atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } ::sumAvg: 4.11 atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } :: atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } ::sumAvg: 4.99 atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } :: atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } atom: 899 79N-HB2 B 2.803 ambi=2 { CB:37.188 } :: atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } :: atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } ::sumAvg: 3.81 atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } atom: 943 83R-HD3 D 3.159 ambi=2 { CD:43.445 } ::sumAvg: 4.955 atom: 943 83R-HD3 D 3.159 ambi=2 { CD:43.445 } atom: 900 79N-HB3 B 2.698 ambi=2 { CB:37.188 } ::sumAvg: 4.955 atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } ::sumAvg: 4.48 atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } ::sumAvg: 4.735 atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } :: atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } atom: 908 80L-H N 8.258 ambi=1 { N:124.268 } ::sumAvg: 4.58 atom: 909 80L-HA A 4.025 ambi=1 { CA:58.699 } atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } ::sumAvg: 3.265 atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } atom: 909 80L-HA A 4.025 ambi=1 { CA:58.699 } ::sumAvg: 3.265 atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } atom: 909 80L-HA A 4.025 ambi=1 { CA:58.699 } ::sumAvg: 4.925 atom: 909 80L-HA A 4.025 ambi=1 { CA:58.699 } atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } :: atom: 909 80L-HA A 4.025 ambi=1 { CA:58.699 } atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } ::sumAvg: 2.99 atom: 909 80L-HA A 4.025 ambi=1 { CA:58.699 } atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } ::sumAvg: 4.17 atom: 955 84I-HG12 G1 1.78 ambi=2 { CG1:29.885 } atom: 909 80L-HA A 4.025 ambi=1 { CA:58.699 } :: atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } atom: 909 80L-HA A 4.025 ambi=1 { CA:58.699 } ::sumAvg: 4.08 atom: 909 80L-HA A 4.025 ambi=1 { CA:58.699 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } ::sumAvg: 4.16 atom: 910 80L-HB2 B 1.96 ambi=2 { CB:40.812 } atom: 923 81A-HA A 3.863 ambi=1 { CA:55.256 } :: atom: 911 80L-HB3 B 1.585 ambi=2 { CB:40.812 } atom: 923 81A-HA A 3.863 ambi=1 { CA:55.256 } ::sumAvg: 4.345 atom: 923 81A-HA A 3.863 ambi=1 { CA:55.256 } atom: 910 80L-HB2 B 1.96 ambi=2 { CB:40.812 } :: atom: 923 81A-HA A 3.863 ambi=1 { CA:55.256 } atom: 911 80L-HB3 B 1.585 ambi=2 { CB:40.812 } ::sumAvg: 4.345 atom: 910 80L-HB2 B 1.96 ambi=2 { CB:40.812 } atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } ::sumAvg: 3.825 atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } atom: 910 80L-HB2 B 1.96 ambi=2 { CB:40.812 } ::sumAvg: 3.825 atom: 910 80L-HB2 B 1.96 ambi=2 { CB:40.812 } atom: 929 82A-H N 7.23 ambi=1 { N:119.69 } :: atom: 911 80L-HB3 B 1.585 ambi=2 { CB:40.812 } atom: 929 82A-H N 7.23 ambi=1 { N:119.69 } ::sumAvg: 4.79 atom: 910 80L-HB2 B 1.96 ambi=2 { CB:40.812 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } :: atom: 911 80L-HB3 B 1.585 ambi=2 { CB:40.812 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } ::sumAvg: 4.195 atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } atom: 910 80L-HB2 B 1.96 ambi=2 { CB:40.812 } :: atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } atom: 911 80L-HB3 B 1.585 ambi=2 { CB:40.812 } ::sumAvg: 4.195 atom: 923 81A-HA A 3.863 ambi=1 { CA:55.256 } atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } ::sumAvg: 3.72 atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } :: atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } ::sumAvg: 4.92 atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } :: atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } ::sumAvg: 4.92 atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } ::sumAvg: 4.82 atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } ::sumAvg: 3.525 atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } ::sumAvg: 4.96 atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } atom: 912 80L-HG G 1.667 ambi=1 { CG:27.412 } ::sumAvg: 4.96 atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } atom: 923 81A-HA A 3.863 ambi=1 { CA:55.256 } :: atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } atom: 923 81A-HA A 3.863 ambi=1 { CA:55.256 } ::sumAvg: 4.7 atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } ::sumAvg: 4.39 atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } :: atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } ::sumAvg: 4.185 atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } atom: 954 84I-HB B 1.726 ambi=1 { CB:37.687 } :: atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } atom: 954 84I-HB B 1.726 ambi=1 { CB:37.687 } ::sumAvg: 4.65 atom: 913 80L-HD1 D1 1.276 ambi=2 { CD1:22.526 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } :: atom: 914 80L-HD2 D2 0.988 ambi=2 { CD2:25.914 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } ::sumAvg: 4.81 atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } atom: 922 81A-H N 8.579 ambi=1 { N:118.122 } ::sumAvg: 4.315 atom: 923 81A-HA A 3.863 ambi=1 { CA:55.256 } atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } ::sumAvg: 4.56 atom: 955 84I-HG12 G1 1.78 ambi=2 { CG1:29.885 } atom: 923 81A-HA A 3.863 ambi=1 { CA:55.256 } :: atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } atom: 923 81A-HA A 3.863 ambi=1 { CA:55.256 } ::sumAvg: 3.85 atom: 923 81A-HA A 3.863 ambi=1 { CA:55.256 } atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } :: atom: 923 81A-HA A 3.863 ambi=1 { CA:55.256 } atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } ::sumAvg: 4.915 atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } atom: 923 81A-HA A 3.863 ambi=1 { CA:55.256 } :: atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } atom: 923 81A-HA A 3.863 ambi=1 { CA:55.256 } ::sumAvg: 4.915 atom: 930 82A-HA A 4.194 ambi=1 { CA:55.364 } atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } ::sumAvg: 4 atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } ::sumAvg: 4.64 atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } :: atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } atom: 924 81A-HB B 1.453 ambi=1 { CB:17.311 } ::sumAvg: 4.345 atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } atom: 929 82A-H N 7.23 ambi=1 { N:119.69 } :: atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } atom: 929 82A-H N 7.23 ambi=1 { N:119.69 } ::sumAvg: 4.67 atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } atom: 929 82A-H N 7.23 ambi=1 { N:119.69 } :: atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } atom: 929 82A-H N 7.23 ambi=1 { N:119.69 } ::sumAvg: 4.335 atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } atom: 929 82A-H N 7.23 ambi=1 { N:119.69 } :: atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } atom: 929 82A-H N 7.23 ambi=1 { N:119.69 } ::sumAvg: 4.94 atom: 930 82A-HA A 4.194 ambi=1 { CA:55.364 } atom: 974 86E-H N 8.06 ambi=1 { N:121.15 } ::sumAvg: 4.235 atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } atom: 937 83R-HA A 4.32 ambi=1 { CA:58.496 } ::sumAvg: 3.94 atom: 937 83R-HA A 4.32 ambi=1 { CA:58.496 } atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } ::sumAvg: 3.94 atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } :: atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } ::sumAvg: 4.68 atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } :: atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } ::sumAvg: 4.68 atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } ::sumAvg: 3.48 atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } atom: 942 83R-HD2 D 2.997 ambi=2 { CD:43.445 } :: atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } atom: 943 83R-HD3 D 3.159 ambi=2 { CD:43.445 } ::sumAvg: 3.825 atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } :: atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } ::sumAvg: 3.9 atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } atom: 976 86E-HB2 B 2.495 ambi=2 { CB:29.462 } :: atom: 931 82A-HB B 1.601 ambi=1 { CB:17.867 } atom: 977 86E-HB3 B 2.091 ambi=2 { CB:29.462 } ::sumAvg: 4.99 atom: 942 83R-HD2 D 2.997 ambi=2 { CD:43.445 } atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } :: atom: 943 83R-HD3 D 3.159 ambi=2 { CD:43.445 } atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } ::sumAvg: 3.36 atom: 954 84I-HB B 1.726 ambi=1 { CB:37.687 } atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } ::sumAvg: 4.82 atom: 955 84I-HG12 G1 1.78 ambi=2 { CG1:29.885 } atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } :: atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } ::sumAvg: 4.465 atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } :: atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } atom: 936 83R-H N 8.521 ambi=1 { N:118.252 } ::sumAvg: 4.93 atom: 937 83R-HA A 4.32 ambi=1 { CA:58.496 } atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } ::sumAvg: 4.825 atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } atom: 937 83R-HA A 4.32 ambi=1 { CA:58.496 } ::sumAvg: 4.825 atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } atom: 937 83R-HA A 4.32 ambi=1 { CA:58.496 } ::sumAvg: 4.465 atom: 937 83R-HA A 4.32 ambi=1 { CA:58.496 } atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } :: atom: 937 83R-HA A 4.32 ambi=1 { CA:58.496 } atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } ::sumAvg: 4.905 atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } atom: 937 83R-HA A 4.32 ambi=1 { CA:58.496 } :: atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } atom: 937 83R-HA A 4.32 ambi=1 { CA:58.496 } ::sumAvg: 4.905 atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } :: atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } ::sumAvg: 2.405 atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } atom: 944 83R-HE E 7.755 ambi=1 { NE:84.936 } :: atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } atom: 944 83R-HE E 7.755 ambi=1 { NE:84.936 } ::sumAvg: 2.415 atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } :: atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } ::sumAvg: 2.63 atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } :: atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } ::sumAvg: 4.365 atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } atom: 954 84I-HB B 1.726 ambi=1 { CB:37.687 } ::sumAvg: 4.755 atom: 954 84I-HB B 1.726 ambi=1 { CB:37.687 } atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } ::sumAvg: 4.755 atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } atom: 955 84I-HG12 G1 1.78 ambi=2 { CG1:29.885 } :: atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } :: atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } ::sumAvg: 3.16 atom: 955 84I-HG12 G1 1.78 ambi=2 { CG1:29.885 } atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } :: atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } :: atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } ::sumAvg: 3.16 atom: 938 83R-HB2 B 2.442 ambi=2 { CB:31.929 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } :: atom: 939 83R-HB3 B 2.117 ambi=2 { CB:31.929 } atom: 958 84I-HD1 D1 0.52 ambi=1 { CD1:16.326 } ::sumAvg: 4.425 atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } atom: 944 83R-HE E 7.755 ambi=1 { NE:84.936 } :: atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } atom: 944 83R-HE E 7.755 ambi=1 { NE:84.936 } ::sumAvg: 2.78 atom: 940 83R-HG2 G 1.418 ambi=2 { CG:26.505 } atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } :: atom: 941 83R-HG3 G 2.228 ambi=2 { CG:26.505 } atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } ::sumAvg: 4.35 atom: 976 86E-HB2 B 2.495 ambi=2 { CB:29.462 } atom: 942 83R-HD2 D 2.997 ambi=2 { CD:43.445 } :: atom: 977 86E-HB3 B 2.091 ambi=2 { CB:29.462 } atom: 942 83R-HD2 D 2.997 ambi=2 { CD:43.445 } :: atom: 976 86E-HB2 B 2.495 ambi=2 { CB:29.462 } atom: 943 83R-HD3 D 3.159 ambi=2 { CD:43.445 } :: atom: 977 86E-HB3 B 2.091 ambi=2 { CB:29.462 } atom: 943 83R-HD3 D 3.159 ambi=2 { CD:43.445 } ::sumAvg: 4.53 atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } atom: 944 83R-HE E 7.755 ambi=1 { NE:84.936 } :: atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } atom: 944 83R-HE E 7.755 ambi=1 { NE:84.936 } ::sumAvg: 4.98 atom: 976 86E-HB2 B 2.495 ambi=2 { CB:29.462 } atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } :: atom: 977 86E-HB3 B 2.091 ambi=2 { CB:29.462 } atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } ::sumAvg: 4.945 atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } ::sumAvg: 4.64 atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } :: atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } atom: 952 84I-H N 8.345 ambi=1 { N:121.296 } ::sumAvg: 4.435 atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } atom: 967 85D-HA A 4.4 ambi=1 { CA:57.931 } ::sumAvg: 4.925 atom: 967 85D-HA A 4.4 ambi=1 { CA:57.931 } atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } ::sumAvg: 4.925 atom: 976 86E-HB2 B 2.495 ambi=2 { CB:29.462 } atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } :: atom: 977 86E-HB3 B 2.091 ambi=2 { CB:29.462 } atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } ::sumAvg: 4.71 atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } ::sumAvg: 2.79 atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } ::sumAvg: 2.79 atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } :: atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } atom: 953 84I-HA A 3.376 ambi=1 { CA:66.133 } ::sumAvg: 3.935 atom: 954 84I-HB B 1.726 ambi=1 { CB:37.687 } atom: 967 85D-HA A 4.4 ambi=1 { CA:57.931 } ::sumAvg: 4.605 atom: 967 85D-HA A 4.4 ambi=1 { CA:57.931 } atom: 954 84I-HB B 1.726 ambi=1 { CB:37.687 } ::sumAvg: 4.605 atom: 954 84I-HB B 1.726 ambi=1 { CB:37.687 } atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } :: atom: 954 84I-HB B 1.726 ambi=1 { CB:37.687 } atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } ::sumAvg: 4.63 atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } atom: 954 84I-HB B 1.726 ambi=1 { CB:37.687 } :: atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } atom: 954 84I-HB B 1.726 ambi=1 { CB:37.687 } ::sumAvg: 4.63 atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } atom: 954 84I-HB B 1.726 ambi=1 { CB:37.687 } :: atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } atom: 954 84I-HB B 1.726 ambi=1 { CB:37.687 } ::sumAvg: 4.635 atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } atom: 987 87L-HB2 B 1.392 ambi=2 { CB:42.047 } :: atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } atom: 988 87L-HB3 B 2.144 ambi=2 { CB:42.047 } ::sumAvg: 4.57 atom: 987 87L-HB2 B 1.392 ambi=2 { CB:42.047 } atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } :: atom: 988 87L-HB3 B 2.144 ambi=2 { CB:42.047 } atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } ::sumAvg: 4.57 atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } ::sumAvg: 4.795 atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } atom: 956 84I-HG13 G1 0.52 ambi=2 { CG1:29.885 } ::sumAvg: 4.795 atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } :: atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } ::sumAvg: 4.635 atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } :: atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } ::sumAvg: 4.635 atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } atom: 985 87L-H N 8.093 ambi=1 { N:122.686 } ::sumAvg: 4.53 atom: 987 87L-HB2 B 1.392 ambi=2 { CB:42.047 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } :: atom: 988 87L-HB3 B 2.144 ambi=2 { CB:42.047 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } ::sumAvg: 3.5 atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } ::sumAvg: 4.735 atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } ::sumAvg: 4.735 atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } :: atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } ::sumAvg: 3.465 atom: 1001 88V-HB B 2.282 ambi=1 { CB:32.103 } atom: 957 84I-HG2 G2 -0.16 ambi=1 { CG2:15.93 } ::sumAvg: 4.92 atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } atom: 966 85D-H N 8.336 ambi=1 { N:120.167 } :: atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } atom: 966 85D-H N 8.336 ambi=1 { N:120.167 } ::sumAvg: 4.055 atom: 967 85D-HA A 4.4 ambi=1 { CA:57.931 } atom: 1012 89A-HB B 1.543 ambi=1 { CB:17.836 } ::sumAvg: 4.36 atom: 1012 89A-HB B 1.543 ambi=1 { CB:17.836 } atom: 967 85D-HA A 4.4 ambi=1 { CA:57.931 } ::sumAvg: 4.36 atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } atom: 975 86E-HA A 4.113 ambi=1 { CA:59.162 } :: atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } atom: 975 86E-HA A 4.113 ambi=1 { CA:59.162 } ::sumAvg: 4.46 atom: 975 86E-HA A 4.113 ambi=1 { CA:59.162 } atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } :: atom: 975 86E-HA A 4.113 ambi=1 { CA:59.162 } atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } ::sumAvg: 4.46 atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } atom: 977 86E-HB3 B 2.091 ambi=2 { CB:29.462 } :: atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } atom: 977 86E-HB3 B 2.091 ambi=2 { CB:29.462 } ::sumAvg: 4.57 atom: 977 86E-HB3 B 2.091 ambi=2 { CB:29.462 } atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } :: atom: 977 86E-HB3 B 2.091 ambi=2 { CB:29.462 } atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } ::sumAvg: 4.57 atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } :: atom: 968 85D-HB2 B 2.885 ambi=2 { CB:39.442 } atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } :: atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } :: atom: 969 85D-HB3 B 2.671 ambi=2 { CB:39.442 } atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } ::sumAvg: 3.99 atom: 975 86E-HA A 4.113 ambi=1 { CA:59.162 } atom: 999 88V-H N 9.041 ambi=1 { N:122.841 } ::sumAvg: 4.625 atom: 975 86E-HA A 4.113 ambi=1 { CA:59.162 } atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } :: atom: 975 86E-HA A 4.113 ambi=1 { CA:59.162 } atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } ::sumAvg: 4.66 atom: 1012 89A-HB B 1.543 ambi=1 { CB:17.836 } atom: 975 86E-HA A 4.113 ambi=1 { CA:59.162 } ::sumAvg: 2.635 atom: 1019 90A-HB B 1.558 ambi=1 { CB:18.443 } atom: 975 86E-HA A 4.113 ambi=1 { CA:59.162 } ::sumAvg: 4.775 atom: 986 87L-HA A 4.195 ambi=1 { CA:58.183 } atom: 976 86E-HB2 B 2.495 ambi=2 { CB:29.462 } :: atom: 986 87L-HA A 4.195 ambi=1 { CA:58.183 } atom: 977 86E-HB3 B 2.091 ambi=2 { CB:29.462 } ::sumAvg: 4.245 atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } atom: 976 86E-HB2 B 2.495 ambi=2 { CB:29.462 } ::sumAvg: 3.395 atom: 1012 89A-HB B 1.543 ambi=1 { CB:17.836 } atom: 976 86E-HB2 B 2.495 ambi=2 { CB:29.462 } :: atom: 1012 89A-HB B 1.543 ambi=1 { CB:17.836 } atom: 977 86E-HB3 B 2.091 ambi=2 { CB:29.462 } ::sumAvg: 4.755 atom: 978 86E-HG2 G 2.565 ambi=2 { CG:36.077 } atom: 986 87L-HA A 4.195 ambi=1 { CA:58.183 } :: atom: 979 86E-HG3 G 2.394 ambi=2 { CG:36.077 } atom: 986 87L-HA A 4.195 ambi=1 { CA:58.183 } ::sumAvg: 4.945 atom: 986 87L-HA A 4.195 ambi=1 { CA:58.183 } atom: 978 86E-HG2 G 2.565 ambi=2 { CG:36.077 } :: atom: 986 87L-HA A 4.195 ambi=1 { CA:58.183 } atom: 979 86E-HG3 G 2.394 ambi=2 { CG:36.077 } ::sumAvg: 4.945 atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } atom: 978 86E-HG2 G 2.565 ambi=2 { CG:36.077 } ::sumAvg: 4.945 atom: 978 86E-HG2 G 2.565 ambi=2 { CG:36.077 } atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } :: atom: 978 86E-HG2 G 2.565 ambi=2 { CG:36.077 } atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } :: atom: 979 86E-HG3 G 2.394 ambi=2 { CG:36.077 } atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } :: atom: 979 86E-HG3 G 2.394 ambi=2 { CG:36.077 } atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } ::sumAvg: 4.13 atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } atom: 978 86E-HG2 G 2.565 ambi=2 { CG:36.077 } :: atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } atom: 978 86E-HG2 G 2.565 ambi=2 { CG:36.077 } :: atom: 990 87L-HD1 D1 0.931 ambi=2 { CD1:27.095 } atom: 979 86E-HG3 G 2.394 ambi=2 { CG:36.077 } :: atom: 991 87L-HD2 D2 0.99 ambi=2 { CD2:22.847 } atom: 979 86E-HG3 G 2.394 ambi=2 { CG:36.077 } ::sumAvg: 4.13 atom: 1012 89A-HB B 1.543 ambi=1 { CB:17.836 } atom: 978 86E-HG2 G 2.565 ambi=2 { CG:36.077 } :: atom: 1012 89A-HB B 1.543 ambi=1 { CB:17.836 } atom: 979 86E-HG3 G 2.394 ambi=2 { CG:36.077 } ::sumAvg: 4.245 atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } atom: 986 87L-HA A 4.195 ambi=1 { CA:58.183 } ::sumAvg: 3.135 atom: 986 87L-HA A 4.195 ambi=1 { CA:58.183 } atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } :: atom: 986 87L-HA A 4.195 ambi=1 { CA:58.183 } atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } ::sumAvg: 4.975 atom: 986 87L-HA A 4.195 ambi=1 { CA:58.183 } atom: 1010 89A-H N 8.179 ambi=1 { N:122.98 } ::sumAvg: 4.37 atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } atom: 987 87L-HB2 B 1.392 ambi=2 { CB:42.047 } ::sumAvg: 2.49 atom: 987 87L-HB2 B 1.392 ambi=2 { CB:42.047 } atom: 1000 88V-HA A 3.537 ambi=1 { CA:66.861 } :: atom: 988 87L-HB3 B 2.144 ambi=2 { CB:42.047 } atom: 1000 88V-HA A 3.537 ambi=1 { CA:66.861 } ::sumAvg: 4.45 atom: 1000 88V-HA A 3.537 ambi=1 { CA:66.861 } atom: 987 87L-HB2 B 1.392 ambi=2 { CB:42.047 } :: atom: 1000 88V-HA A 3.537 ambi=1 { CA:66.861 } atom: 988 87L-HB3 B 2.144 ambi=2 { CB:42.047 } ::sumAvg: 4.45 atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } atom: 988 87L-HB3 B 2.144 ambi=2 { CB:42.047 } :: atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } atom: 988 87L-HB3 B 2.144 ambi=2 { CB:42.047 } ::sumAvg: 3.195 atom: 987 87L-HB2 B 1.392 ambi=2 { CB:42.047 } atom: 1010 89A-H N 8.179 ambi=1 { N:122.98 } :: atom: 988 87L-HB3 B 2.144 ambi=2 { CB:42.047 } atom: 1010 89A-H N 8.179 ambi=1 { N:122.98 } ::sumAvg: 4.935 atom: 988 87L-HB3 B 2.144 ambi=2 { CB:42.047 } atom: 1019 90A-HB B 1.558 ambi=1 { CB:18.443 } ::sumAvg: 4.405 atom: 1019 90A-HB B 1.558 ambi=1 { CB:18.443 } atom: 988 87L-HB3 B 2.144 ambi=2 { CB:42.047 } ::sumAvg: 4.405 atom: 989 87L-HG G 2.059 ambi=1 { CG:27.106 } atom: 999 88V-H N 9.041 ambi=1 { N:122.841 } ::sumAvg: 4.425 atom: 1019 90A-HB B 1.558 ambi=1 { CB:18.443 } atom: 999 88V-H N 9.041 ambi=1 { N:122.841 } ::sumAvg: 4.685 atom: 1011 89A-HA A 4.216 ambi=1 { CA:54.68 } atom: 1000 88V-HA A 3.537 ambi=1 { CA:66.861 } ::sumAvg: 4.8 atom: 1000 88V-HA A 3.537 ambi=1 { CA:66.861 } atom: 1017 90A-H N 7.858 ambi=1 { N:120.178 } ::sumAvg: 4.325 atom: 1019 90A-HB B 1.558 ambi=1 { CB:18.443 } atom: 1000 88V-HA A 3.537 ambi=1 { CA:66.861 } ::sumAvg: 4.69 atom: 1000 88V-HA A 3.537 ambi=1 { CA:66.861 } atom: 1030 91K-QD D 1.773 ambi=2 { CD:29.674 } ::sumAvg: 3.575 atom: 1000 88V-HA A 3.537 ambi=1 { CA:66.861 } atom: 1041 92G-H N 8.1 ambi=1 { N:107.175 } ::sumAvg: 4.48 atom: 1001 88V-HB B 2.282 ambi=1 { CB:32.103 } atom: 1011 89A-HA A 4.216 ambi=1 { CA:54.68 } ::sumAvg: 4.795 atom: 1028 91K-HG2 G 1.719 ambi=2 { CG:24.731 } atom: 1001 88V-HB B 2.282 ambi=1 { CB:32.103 } :: atom: 1029 91K-HG3 G 1.532 ambi=2 { CG:24.731 } atom: 1001 88V-HB B 2.282 ambi=1 { CB:32.103 } ::sumAvg: 3.965 atom: 1001 88V-HB B 2.282 ambi=1 { CB:32.103 } atom: 1030 91K-QD D 1.773 ambi=2 { CD:29.674 } ::sumAvg: 4.045 atom: 1001 88V-HB B 2.282 ambi=1 { CB:32.103 } atom: 1032 91K-QE E 3.108 ambi=2 { CE:42.288 } ::sumAvg: 2.85 atom: 1032 91K-QE E 3.108 ambi=2 { CE:42.288 } atom: 1001 88V-HB B 2.282 ambi=1 { CB:32.103 } ::sumAvg: 2.85 atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } atom: 1017 90A-H N 7.858 ambi=1 { N:120.178 } :: atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } atom: 1017 90A-H N 7.858 ambi=1 { N:120.178 } ::sumAvg: 4.505 atom: 1028 91K-HG2 G 1.719 ambi=2 { CG:24.731 } atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } :: atom: 1028 91K-HG2 G 1.719 ambi=2 { CG:24.731 } atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } :: atom: 1029 91K-HG3 G 1.532 ambi=2 { CG:24.731 } atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } ::sumAvg: 4.3 atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } atom: 1030 91K-QD D 1.773 ambi=2 { CD:29.674 } :: atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } atom: 1030 91K-QD D 1.773 ambi=2 { CD:29.674 } ::sumAvg: 4.23 atom: 1002 88V-HG1 G1 1.24 ambi=2 { CG1:24.102 } atom: 1032 91K-QE E 3.108 ambi=2 { CE:42.288 } :: atom: 1003 88V-HG2 G2 1.079 ambi=2 { CG2:21.43 } atom: 1032 91K-QE E 3.108 ambi=2 { CE:42.288 } ::sumAvg: 3.03 atom: 1019 90A-HB B 1.558 ambi=1 { CB:18.443 } atom: 1010 89A-H N 8.179 ambi=1 { N:122.98 } ::sumAvg: 4.16 atom: 1028 91K-HG2 G 1.719 ambi=2 { CG:24.731 } atom: 1010 89A-H N 8.179 ambi=1 { N:122.98 } :: atom: 1029 91K-HG3 G 1.532 ambi=2 { CG:24.731 } atom: 1010 89A-H N 8.179 ambi=1 { N:122.98 } ::sumAvg: 4.795 atom: 1011 89A-HA A 4.216 ambi=1 { CA:54.68 } atom: 1041 92G-H N 8.1 ambi=1 { N:107.175 } ::sumAvg: 3.575 atom: 1011 89A-HA A 4.216 ambi=1 { CA:54.68 } atom: 1049 93A-HB B 1.463 ambi=1 { CB:18.84 } ::sumAvg: 4.885 atom: 1049 93A-HB B 1.463 ambi=1 { CB:18.84 } atom: 1011 89A-HA A 4.216 ambi=1 { CA:54.68 } ::sumAvg: 4.885 atom: 1012 89A-HB B 1.543 ambi=1 { CB:17.836 } atom: 1017 90A-H N 7.858 ambi=1 { N:120.178 } ::sumAvg: 2.615 atom: 1042 92G-HA2 A 4.005 ambi=2 { CA:46.033 } atom: 1012 89A-HB B 1.543 ambi=1 { CB:17.836 } :: atom: 1043 92G-HA3 A 3.969 ambi=2 { CA:46.033 } atom: 1012 89A-HB B 1.543 ambi=1 { CB:17.836 } ::sumAvg: 4.985 atom: 1012 89A-HB B 1.543 ambi=1 { CB:17.836 } atom: 1047 93A-H N 7.906 ambi=1 { N:123.235 } ::sumAvg: 4.65 atom: 1028 91K-HG2 G 1.719 ambi=2 { CG:24.731 } atom: 1017 90A-H N 7.858 ambi=1 { N:120.178 } :: atom: 1029 91K-HG3 G 1.532 ambi=2 { CG:24.731 } atom: 1017 90A-H N 7.858 ambi=1 { N:120.178 } ::sumAvg: 4.72 atom: 1049 93A-HB B 1.463 ambi=1 { CB:18.84 } atom: 1017 90A-H N 7.858 ambi=1 { N:120.178 } ::sumAvg: 4.545 atom: 1018 90A-HA A 4.261 ambi=1 { CA:53.986 } atom: 1041 92G-H N 8.1 ambi=1 { N:107.175 } ::sumAvg: 4.45 atom: 1018 90A-HA A 4.261 ambi=1 { CA:53.986 } atom: 1049 93A-HB B 1.463 ambi=1 { CB:18.84 } ::sumAvg: 2.48 atom: 1018 90A-HA A 4.261 ambi=1 { CA:53.986 } atom: 1054 94L-H N 7.944 ambi=1 { N:119.814 } ::sumAvg: 4.505 atom: 1018 90A-HA A 4.261 ambi=1 { CA:53.986 } atom: 1058 94L-HG G 1.703 ambi=1 { CG:26.921 } ::sumAvg: 4.435 atom: 1018 90A-HA A 4.261 ambi=1 { CA:53.986 } atom: 1059 94L-HD1 D1 0.944 ambi=2 { CD1:24.922 } :: atom: 1018 90A-HA A 4.261 ambi=1 { CA:53.986 } atom: 1060 94L-HD2 D2 0.884 ambi=2 { CD2:23.447 } ::sumAvg: 4.805 atom: 1030 91K-QD D 1.773 ambi=2 { CD:29.674 } atom: 1024 91K-H N 7.674 ambi=1 { N:119.029 } ::sumAvg: 4.13 atom: 1032 91K-QE E 3.108 ambi=2 { CE:42.288 } atom: 1024 91K-H N 7.674 ambi=1 { N:119.029 } ::sumAvg: 4.5 atom: 1042 92G-HA2 A 4.005 ambi=2 { CA:46.033 } atom: 1024 91K-H N 7.674 ambi=1 { N:119.029 } :: atom: 1043 92G-HA3 A 3.969 ambi=2 { CA:46.033 } atom: 1024 91K-H N 7.674 ambi=1 { N:119.029 } ::sumAvg: 4.905 atom: 1049 93A-HB B 1.463 ambi=1 { CB:18.84 } atom: 1024 91K-H N 7.674 ambi=1 { N:119.029 } ::sumAvg: 4.715 atom: 1025 91K-HA A 4.181 ambi=1 { CA:58.582 } atom: 1030 91K-QD D 1.773 ambi=2 { CD:29.674 } ::sumAvg: 4.42 atom: 1025 91K-HA A 4.181 ambi=1 { CA:58.582 } atom: 1049 93A-HB B 1.463 ambi=1 { CB:18.84 } ::sumAvg: 4.68 atom: 1049 93A-HB B 1.463 ambi=1 { CB:18.84 } atom: 1025 91K-HA A 4.181 ambi=1 { CA:58.582 } ::sumAvg: 4.68 atom: 1025 91K-HA A 4.181 ambi=1 { CA:58.582 } atom: 1054 94L-H N 7.944 ambi=1 { N:119.814 } ::sumAvg: 3.555 atom: 1056 94L-HB2 B 1.723 ambi=2 { CB:42.295 } atom: 1025 91K-HA A 4.181 ambi=1 { CA:58.582 } :: atom: 1057 94L-HB3 B 1.599 ambi=2 { CB:42.295 } atom: 1025 91K-HA A 4.181 ambi=1 { CA:58.582 } ::sumAvg: 3.6 atom: 1058 94L-HG G 1.703 ambi=1 { CG:26.921 } atom: 1025 91K-HA A 4.181 ambi=1 { CA:58.582 } ::sumAvg: 3.385 atom: 1026 91K-HB2 B 2.029 ambi=2 { CB:32.409 } atom: 1057 94L-HB3 B 1.599 ambi=2 { CB:42.295 } ::sumAvg: 4.94 atom: 1057 94L-HB3 B 1.599 ambi=2 { CB:42.295 } atom: 1026 91K-HB2 B 2.029 ambi=2 { CB:32.409 } ::sumAvg: 4.94 atom: 1026 91K-HB2 B 2.029 ambi=2 { CB:32.409 } atom: 1059 94L-HD1 D1 0.944 ambi=2 { CD1:24.922 } :: atom: 1026 91K-HB2 B 2.029 ambi=2 { CB:32.409 } atom: 1060 94L-HD2 D2 0.884 ambi=2 { CD2:23.447 } :: atom: 1027 91K-HB3 B 1.968 ambi=2 { CB:32.409 } atom: 1059 94L-HD1 D1 0.944 ambi=2 { CD1:24.922 } :: atom: 1027 91K-HB3 B 1.968 ambi=2 { CB:32.409 } atom: 1060 94L-HD2 D2 0.884 ambi=2 { CD2:23.447 } ::sumAvg: 4.355 atom: 1028 91K-HG2 G 1.719 ambi=2 { CG:24.731 } atom: 1042 92G-HA2 A 4.005 ambi=2 { CA:46.033 } :: atom: 1028 91K-HG2 G 1.719 ambi=2 { CG:24.731 } atom: 1043 92G-HA3 A 3.969 ambi=2 { CA:46.033 } :: atom: 1029 91K-HG3 G 1.532 ambi=2 { CG:24.731 } atom: 1042 92G-HA2 A 4.005 ambi=2 { CA:46.033 } :: atom: 1029 91K-HG3 G 1.532 ambi=2 { CG:24.731 } atom: 1043 92G-HA3 A 3.969 ambi=2 { CA:46.033 } ::sumAvg: 3.625 atom: 1028 91K-HG2 G 1.719 ambi=2 { CG:24.731 } atom: 1047 93A-H N 7.906 ambi=1 { N:123.235 } :: atom: 1029 91K-HG3 G 1.532 ambi=2 { CG:24.731 } atom: 1047 93A-H N 7.906 ambi=1 { N:123.235 } ::sumAvg: 4.835 atom: 1049 93A-HB B 1.463 ambi=1 { CB:18.84 } atom: 1041 92G-H N 8.1 ambi=1 { N:107.175 } ::sumAvg: 4.275 atom: 1049 93A-HB B 1.463 ambi=1 { CB:18.84 } atom: 1042 92G-HA2 A 4.005 ambi=2 { CA:46.033 } :: atom: 1049 93A-HB B 1.463 ambi=1 { CB:18.84 } atom: 1043 92G-HA3 A 3.969 ambi=2 { CA:46.033 } ::sumAvg: 4.53 atom: 1058 94L-HG G 1.703 ambi=1 { CG:26.921 } atom: 1047 93A-H N 7.906 ambi=1 { N:123.235 } ::sumAvg: 4.28 atom: 1049 93A-HB B 1.463 ambi=1 { CB:18.84 } atom: 1059 94L-HD1 D1 0.944 ambi=2 { CD1:24.922 } :: atom: 1049 93A-HB B 1.463 ambi=1 { CB:18.84 } atom: 1060 94L-HD2 D2 0.884 ambi=2 { CD2:23.447 } ::sumAvg: 3.615 atom: 1049 93A-HB B 1.463 ambi=1 { CB:18.84 } atom: 1068 95E-H N 8.095 ambi=1 { N:119.925 } ::sumAvg: 4.67 atom: 1055 94L-HA A 4.263 ambi=1 { CA:55.864 } atom: 1054 94L-H N 7.944 ambi=1 { N:119.814 } ::sumAvg: 2.845 atom: 1070 95E-HB2 B 1.935 ambi=2 { CB:30.127 } atom: 1054 94L-H N 7.944 ambi=1 { N:119.814 } ::sumAvg: 4.87 atom: 1055 94L-HA A 4.263 ambi=1 { CA:55.864 } atom: 1059 94L-HD1 D1 0.944 ambi=2 { CD1:24.922 } :: atom: 1055 94L-HA A 4.263 ambi=1 { CA:55.864 } atom: 1060 94L-HD2 D2 0.884 ambi=2 { CD2:23.447 } ::sumAvg: 2.14 atom: 1055 94L-HA A 4.263 ambi=1 { CA:55.864 } atom: 1068 95E-H N 8.095 ambi=1 { N:119.925 } ::sumAvg: 3.465 atom: 1056 94L-HB2 B 1.723 ambi=2 { CB:42.295 } atom: 1068 95E-H N 8.095 ambi=1 { N:119.925 } :: atom: 1057 94L-HB3 B 1.599 ambi=2 { CB:42.295 } atom: 1068 95E-H N 8.095 ambi=1 { N:119.925 } ::sumAvg: 2.795 atom: 1056 94L-HB2 B 1.723 ambi=2 { CB:42.295 } atom: 1069 95E-HA A 4.176 ambi=1 { CA:56.852 } :: atom: 1057 94L-HB3 B 1.599 ambi=2 { CB:42.295 } atom: 1069 95E-HA A 4.176 ambi=1 { CA:56.852 } ::sumAvg: 4.45 atom: 1058 94L-HG G 1.703 ambi=1 { CG:26.921 } atom: 1068 95E-H N 8.095 ambi=1 { N:119.925 } ::sumAvg: 4.415