# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 169 15T-H N 8.296 ambi=1 { N:116.14 } atom: 1 1M-HA A 4.017 ambi=1 { CA:54.771 } ::sumAvg: 4.915 atom: 169 15T-H N 8.296 ambi=1 { N:116.14 } atom: 2 1M-HB2 B 2.062 ambi=2 { CB:32.726 } :: atom: 169 15T-H N 8.296 ambi=1 { N:116.14 } atom: 3 1M-HB3 B 1.985 ambi=2 { CB:32.726 } ::sumAvg: 3.51 atom: 12 2N-H N 8.463 ambi=1 { N:123.179 } atom: 16 2N-HD21 D2 7.476 ambi=1 { ND2:112.342 } ::sumAvg: 4.01 atom: 16 2N-HD21 D2 7.476 ambi=1 { ND2:112.342 } atom: 12 2N-H N 8.463 ambi=1 { N:123.179 } ::sumAvg: 4.01 atom: 12 2N-H N 8.463 ambi=1 { N:123.179 } atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } ::sumAvg: 4.93 atom: 12 2N-H N 8.463 ambi=1 { N:123.179 } atom: 171 15T-HB B 3.835 ambi=1 { CB:71.682 } ::sumAvg: 4.67 atom: 12 2N-H N 8.463 ambi=1 { N:123.179 } atom: 4 1M-HG2 G 2.456 ambi=2 { CG:31.029 } :: atom: 12 2N-H N 8.463 ambi=1 { N:123.179 } atom: 5 1M-HG3 G 2.17 ambi=2 { CG:31.029 } ::sumAvg: 4.12 atom: 16 2N-HD21 D2 7.476 ambi=1 { ND2:112.342 } atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } :: atom: 17 2N-HD22 D2 6.855 ambi=1 { ND2:112.342 } atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } ::sumAvg: 4.285 atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } :: atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } ::sumAvg: 4.65 atom: 90 8L-H N 7.258 ambi=1 { N:116.521 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } :: atom: 90 8L-H N 7.258 ambi=1 { N:116.521 } atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } ::sumAvg: 4.135 atom: 169 15T-H N 8.296 ambi=1 { N:116.14 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } :: atom: 169 15T-H N 8.296 ambi=1 { N:116.14 } atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } ::sumAvg: 4.4 atom: 17 2N-HD22 D2 6.855 ambi=1 { ND2:112.342 } atom: 196 17N-HD21 D2 7.302 ambi=1 { ND2:109.841 } ::sumAvg: 4.66 atom: 24 3Y-H N 8.841 ambi=1 { N:120.086 } atom: 30 3Y-QE E 6.8 ambi=3 { CE1:117.91 } ::sumAvg: 4.905 atom: 24 3Y-H N 8.841 ambi=1 { N:120.086 } atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } :: atom: 24 3Y-H N 8.841 ambi=1 { N:120.086 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } ::sumAvg: 4.285 atom: 24 3Y-H N 8.841 ambi=1 { N:120.086 } atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } ::sumAvg: 4.28 atom: 24 3Y-H N 8.841 ambi=1 { N:120.086 } atom: 178 16I-H N 9.269 ambi=1 { N:118.939 } ::sumAvg: 4.845 atom: 178 16I-H N 9.269 ambi=1 { N:118.939 } atom: 24 3Y-H N 8.841 ambi=1 { N:120.086 } ::sumAvg: 4.845 atom: 24 3Y-H N 8.841 ambi=1 { N:120.086 } atom: 183 16I-HG2 G2 0.776 ambi=1 { CG2:17.508 } ::sumAvg: 4.27 atom: 163 14G-H N 8.559 ambi=1 { N:110.197 } atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } ::sumAvg: 4.94 atom: 163 14G-H N 8.559 ambi=1 { N:110.197 } atom: 30 3Y-QE E 6.8 ambi=3 { CE1:117.91 } ::sumAvg: 4.595 atom: 40 4K-H N 8.789 ambi=1 { N:120.118 } atom: 48 4K-QE E 2.9995 ambi=2 { CE:42.17 } ::sumAvg: 4.65 atom: 40 4K-H N 8.789 ambi=1 { N:120.118 } atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } ::sumAvg: 4.59 atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } atom: 40 4K-H N 8.789 ambi=1 { N:120.118 } ::sumAvg: 4.59 atom: 40 4K-H N 8.789 ambi=1 { N:120.118 } atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } :: atom: 40 4K-H N 8.789 ambi=1 { N:120.118 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } ::sumAvg: 4.575 atom: 40 4K-H N 8.789 ambi=1 { N:120.118 } atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } ::sumAvg: 4.73 atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } ::sumAvg: 4.495 atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } ::sumAvg: 3.535 atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } ::sumAvg: 3.815 atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } ::sumAvg: 4.89 atom: 553 46D-H N 8.91 ambi=1 { N:126.536 } atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } ::sumAvg: 4.615 atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } atom: 44 4K-QG G 1.547 ambi=2 { CG:24.489 } ::sumAvg: 4.005 atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } atom: 48 4K-QE E 2.9995 ambi=2 { CE:42.17 } ::sumAvg: 4.53 atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } ::sumAvg: 3.94 atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } ::sumAvg: 3.94 atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } ::sumAvg: 4.395 atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } :: atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } atom: 556 46D-HB3 B 3.08 ambi=2 { CB:41.838 } ::sumAvg: 4.47 atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } atom: 569 48T-H N 9.629 ambi=1 { N:111.625 } ::sumAvg: 4.75 atom: 569 48T-H N 9.629 ambi=1 { N:111.625 } atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } ::sumAvg: 4.75 atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } ::sumAvg: 3.96 atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } ::sumAvg: 3.985 atom: 90 8L-H N 7.258 ambi=1 { N:116.521 } atom: 72 6S-HA A 4.087 ambi=1 { CA:60.449 } ::sumAvg: 3.81 atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } atom: 60 5I-HG12 G1 1.703 ambi=2 { CG1:32.516 } :: atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } atom: 61 5I-HG13 G1 0.553 ambi=2 { CG1:32.516 } ::sumAvg: 4.46 atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } ::sumAvg: 4.575 atom: 90 8L-H N 7.258 ambi=1 { N:116.521 } atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } ::sumAvg: 4.35 atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } ::sumAvg: 4.715 atom: 561 47D-H N 8.995 ambi=1 { N:114.512 } atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } ::sumAvg: 4.94 atom: 569 48T-H N 9.629 ambi=1 { N:111.625 } atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } ::sumAvg: 4.09 atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } atom: 81 7E-HB2 B 2.486 ambi=2 { CB:31.225 } :: atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } atom: 82 7E-HB3 B 2.262 ambi=2 { CB:31.225 } ::sumAvg: 4.78 atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } ::sumAvg: 4.05 atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } atom: 90 8L-H N 7.258 ambi=1 { N:116.521 } ::sumAvg: 4.225 atom: 90 8L-H N 7.258 ambi=1 { N:116.521 } atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } ::sumAvg: 4.225 atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } ::sumAvg: 4.95 atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } atom: 570 48T-HA A 4.655 ambi=1 { CA:62.095 } ::sumAvg: 4.64 atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } ::sumAvg: 4.95 atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } atom: 92 8L-HB2 B 1.772 ambi=2 { CB:41.939 } :: atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } atom: 93 8L-HB3 B 0.956 ambi=2 { CB:41.939 } ::sumAvg: 4.45 atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } ::sumAvg: 4.865 atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } :: atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } ::sumAvg: 4.575 atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } ::sumAvg: 4.7 atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } ::sumAvg: 4.89 atom: 104 9M-H N 6.468 ambi=1 { N:116.45 } atom: 90 8L-H N 7.258 ambi=1 { N:116.521 } ::sumAvg: 4.58 atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } :: atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } ::sumAvg: 4.68 atom: 104 9M-H N 6.468 ambi=1 { N:116.45 } atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } ::sumAvg: 4.895 atom: 104 9M-H N 6.468 ambi=1 { N:116.45 } atom: 141 12L-H N 7.161 ambi=1 { N:119.367 } ::sumAvg: 4.77 atom: 141 12L-H N 7.161 ambi=1 { N:119.367 } atom: 104 9M-H N 6.468 ambi=1 { N:116.45 } ::sumAvg: 4.77 atom: 104 9M-H N 6.468 ambi=1 { N:116.45 } atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } ::sumAvg: 4.53 atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } ::sumAvg: 4.66 atom: 133 11N-HD21 D2 7.687 ambi=1 { ND2:114.671 } atom: 118 10P-HB2 B 2.153 ambi=2 { CB:31.982 } :: atom: 133 11N-HD21 D2 7.687 ambi=1 { ND2:114.671 } atom: 119 10P-HB3 B 1.87 ambi=2 { CB:31.982 } ::sumAvg: 4.765 atom: 129 11N-H N 8.81 ambi=1 { N:114.771 } atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } :: atom: 129 11N-H N 8.81 ambi=1 { N:114.771 } atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } ::sumAvg: 4.83 atom: 129 11N-H N 8.81 ambi=1 { N:114.771 } atom: 899 77K-HG2 G 1.511 ambi=2 { CG:24.243 } :: atom: 129 11N-H N 8.81 ambi=1 { N:114.771 } atom: 900 77K-HG3 G 1.342 ambi=2 { CG:24.243 } ::sumAvg: 3.645 atom: 129 11N-H N 8.81 ambi=1 { N:114.771 } atom: 901 77K-QD D 1.742 ambi=2 { CD:29.269 } ::sumAvg: 4.6 atom: 133 11N-HD21 D2 7.687 ambi=1 { ND2:114.671 } atom: 130 11N-HA A 4.203 ambi=1 { CA:54.925 } :: atom: 134 11N-HD22 D2 7.076 ambi=1 { ND2:114.671 } atom: 130 11N-HA A 4.203 ambi=1 { CA:54.925 } ::sumAvg: 4.375 atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } atom: 130 11N-HA A 4.203 ambi=1 { CA:54.925 } ::sumAvg: 4.985 atom: 141 12L-H N 7.161 ambi=1 { N:119.367 } atom: 155 13S-H N 8.245 ambi=1 { N:116.161 } ::sumAvg: 4.22 atom: 141 12L-H N 7.161 ambi=1 { N:119.367 } atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } ::sumAvg: 4.9 atom: 141 12L-H N 7.161 ambi=1 { N:119.367 } atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } ::sumAvg: 4.655 atom: 141 12L-H N 7.161 ambi=1 { N:119.367 } atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } ::sumAvg: 4.16 atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } :: atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } ::sumAvg: 4.015 atom: 163 14G-H N 8.559 ambi=1 { N:110.197 } atom: 145 12L-HG G 1.47 ambi=1 { CG:26.428 } ::sumAvg: 4.61 atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } atom: 145 12L-HG G 1.47 ambi=1 { CG:26.428 } ::sumAvg: 4.485 atom: 155 13S-H N 8.245 ambi=1 { N:116.161 } atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } ::sumAvg: 4.61 atom: 155 13S-H N 8.245 ambi=1 { N:116.161 } atom: 872 75Y-QD D 7.009 ambi=3 { CD1:133.337 } ::sumAvg: 4.14 atom: 155 13S-H N 8.245 ambi=1 { N:116.161 } atom: 874 75Y-QE E 6.762 ambi=3 { CE1:118.018 } ::sumAvg: 4.555 atom: 868 75Y-H N 8.069 ambi=1 { N:119.656 } atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } ::sumAvg: 4.85 atom: 163 14G-H N 8.559 ambi=1 { N:110.197 } atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } ::sumAvg: 4.735 atom: 169 15T-H N 8.296 ambi=1 { N:116.14 } atom: 178 16I-H N 9.269 ambi=1 { N:118.939 } ::sumAvg: 4.445 atom: 178 16I-H N 9.269 ambi=1 { N:118.939 } atom: 169 15T-H N 8.296 ambi=1 { N:116.14 } ::sumAvg: 4.445 atom: 169 15T-H N 8.296 ambi=1 { N:116.14 } atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } ::sumAvg: 4.995 atom: 169 15T-H N 8.296 ambi=1 { N:116.14 } atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } ::sumAvg: 4.595 atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } atom: 170 15T-HA A 5.536 ambi=1 { CA:61.739 } ::sumAvg: 4.55 atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } ::sumAvg: 3.825 atom: 178 16I-H N 9.269 ambi=1 { N:118.939 } atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } ::sumAvg: 4.725 atom: 178 16I-H N 9.269 ambi=1 { N:118.939 } atom: 862 74G-H N 8.809 ambi=1 { N:112.02 } ::sumAvg: 4.825 atom: 862 74G-H N 8.809 ambi=1 { N:112.02 } atom: 178 16I-H N 9.269 ambi=1 { N:118.939 } ::sumAvg: 4.825 atom: 192 17N-H N 8.962 ambi=1 { N:122.622 } atom: 196 17N-HD21 D2 7.302 ambi=1 { ND2:109.841 } ::sumAvg: 4.34 atom: 192 17N-H N 8.962 ambi=1 { N:122.622 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } ::sumAvg: 3.955 atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } ::sumAvg: 4.965 atom: 204 18A-H N 9.124 ambi=1 { N:124.29 } atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } ::sumAvg: 4.815 atom: 204 18A-H N 9.124 ambi=1 { N:124.29 } atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } ::sumAvg: 4.765 atom: 536 45K-H N 9.209 ambi=1 { N:120.149 } atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } ::sumAvg: 4.735 atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } ::sumAvg: 4.795 atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } ::sumAvg: 4.45 atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } :: atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } ::sumAvg: 4.805 atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } ::sumAvg: 4.915 atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } atom: 537 45K-HA A 5.247 ambi=1 { CA:55.625 } ::sumAvg: 4.765 atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } atom: 538 45K-HB2 B 1.777 ambi=2 { CB:37.681 } :: atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } atom: 539 45K-HB3 B 1.588 ambi=2 { CB:37.681 } ::sumAvg: 4.59 atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } :: atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } atom: 556 46D-HB3 B 3.08 ambi=2 { CB:41.838 } ::sumAvg: 3.74 atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } ::sumAvg: 4.57 atom: 536 45K-H N 9.209 ambi=1 { N:120.149 } atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } ::sumAvg: 4.655 atom: 811 69I-H N 8.835 ambi=1 { N:120.662 } atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } ::sumAvg: 4.595 atom: 797 67G-H N 9.371 ambi=1 { N:116.379 } atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } ::sumAvg: 4.83 atom: 536 45K-H N 9.209 ambi=1 { N:120.149 } atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } ::sumAvg: 4.775 atom: 797 67G-H N 9.371 ambi=1 { N:116.379 } atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } ::sumAvg: 4.42 atom: 803 68D-H N 8.119 ambi=1 { N:121.994 } atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } ::sumAvg: 4.53 atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } ::sumAvg: 4.54 atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } ::sumAvg: 4.86 atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } ::sumAvg: 4.95 atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } atom: 798 67G-HA2 A 4.482 ambi=2 { CA:44.756 } :: atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } atom: 799 67G-HA3 A 3.71 ambi=2 { CA:44.756 } ::sumAvg: 4.63 atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } ::sumAvg: 4.795 atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } :: atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } ::sumAvg: 4.115 atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } atom: 811 69I-H N 8.835 ambi=1 { N:120.662 } ::sumAvg: 4.895 atom: 811 69I-H N 8.835 ambi=1 { N:120.662 } atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } ::sumAvg: 4.895 atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } ::sumAvg: 3.88 atom: 797 67G-H N 9.371 ambi=1 { N:116.379 } atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } ::sumAvg: 4.78 atom: 233 21V-H N 9.145 ambi=1 { N:130.99 } atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } ::sumAvg: 4.315 atom: 763 65K-H N 9.121 ambi=1 { N:126.71 } atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } ::sumAvg: 4.675 atom: 763 65K-H N 9.121 ambi=1 { N:126.71 } atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } :: atom: 763 65K-H N 9.121 ambi=1 { N:126.71 } atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } ::sumAvg: 3.815 atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } :: atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } ::sumAvg: 3.515 atom: 233 21V-H N 9.145 ambi=1 { N:130.99 } atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } ::sumAvg: 4.81 atom: 233 21V-H N 9.145 ambi=1 { N:130.99 } atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } ::sumAvg: 4.55 atom: 233 21V-H N 9.145 ambi=1 { N:130.99 } atom: 508 43F-QD D 7.123 ambi=3 { CD1:130.766 } ::sumAvg: 4.785 atom: 233 21V-H N 9.145 ambi=1 { N:130.99 } atom: 526 44L-HG G 1.473 ambi=1 { CG:27.137 } ::sumAvg: 4.42 atom: 233 21V-H N 9.145 ambi=1 { N:130.99 } atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } :: atom: 233 21V-H N 9.145 ambi=1 { N:130.99 } atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } ::sumAvg: 3.395 atom: 233 21V-H N 9.145 ambi=1 { N:130.99 } atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } ::sumAvg: 4.95 atom: 797 67G-H N 9.371 ambi=1 { N:116.379 } atom: 234 21V-HA A 4.149 ambi=1 { CA:63.59 } ::sumAvg: 3.785 atom: 504 43F-H N 9.053 ambi=1 { N:123.16 } atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } ::sumAvg: 4.68 atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } ::sumAvg: 4.685 atom: 536 45K-H N 9.209 ambi=1 { N:120.149 } atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } ::sumAvg: 4.62 atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } :: atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } ::sumAvg: 4.65 atom: 244 22A-H N 7.767 ambi=1 { N:118.623 } atom: 251 23A-H N 8.497 ambi=1 { N:124.528 } ::sumAvg: 4.23 atom: 244 22A-H N 7.767 ambi=1 { N:118.623 } atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } ::sumAvg: 4.745 atom: 244 22A-H N 7.767 ambi=1 { N:118.623 } atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } ::sumAvg: 4.76 atom: 244 22A-H N 7.767 ambi=1 { N:118.623 } atom: 508 43F-QD D 7.123 ambi=3 { CD1:130.766 } ::sumAvg: 3.56 atom: 244 22A-H N 7.767 ambi=1 { N:118.623 } atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } :: atom: 244 22A-H N 7.767 ambi=1 { N:118.623 } atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } ::sumAvg: 4.315 atom: 504 43F-H N 9.053 ambi=1 { N:123.16 } atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } ::sumAvg: 4.755 atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } ::sumAvg: 4.725 atom: 251 23A-H N 8.497 ambi=1 { N:124.528 } atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } ::sumAvg: 4.88 atom: 251 23A-H N 8.497 ambi=1 { N:124.528 } atom: 504 43F-H N 9.053 ambi=1 { N:123.16 } ::sumAvg: 4.8 atom: 504 43F-H N 9.053 ambi=1 { N:123.16 } atom: 251 23A-H N 8.497 ambi=1 { N:124.528 } ::sumAvg: 4.8 atom: 251 23A-H N 8.497 ambi=1 { N:124.528 } atom: 788 66K-QE E 3.064 ambi=2 { CE:42.108 } ::sumAvg: 4.875 atom: 504 43F-H N 9.053 ambi=1 { N:123.16 } atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } ::sumAvg: 4.315 atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } atom: 279 25P-HD2 D 4.019 ambi=2 { CD:50.612 } :: atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } atom: 280 25P-HD3 D 3.829 ambi=2 { CD:50.612 } ::sumAvg: 4.715 atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } :: atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } atom: 470 40K-HG3 G 1.2 ambi=2 { CG:24.559 } ::sumAvg: 4.185 atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } atom: 473 40K-HE2 E 3.154 ambi=2 { CE:42.329 } :: atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } atom: 474 40K-HE3 E 2.873 ambi=2 { CE:42.329 } ::sumAvg: 4.485 atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } atom: 484 41S-HB2 B 3.718 ambi=2 { CB:64.486 } :: atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } atom: 485 41S-HB3 B 3.586 ambi=2 { CB:64.486 } ::sumAvg: 3.93 atom: 490 42L-H N 9.005 ambi=1 { N:120.695 } atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } ::sumAvg: 4.825 atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } atom: 492 42L-HB2 B 1.56 ambi=2 { CB:46.681 } :: atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } atom: 493 42L-HB3 B 1.459 ambi=2 { CB:46.681 } ::sumAvg: 4.44 atom: 504 43F-H N 9.053 ambi=1 { N:123.16 } atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } ::sumAvg: 4.795 atom: 482 41S-H N 8.988 ambi=1 { N:123.588 } atom: 262 24Y-QD D 7.092 ambi=3 { CD1:132.659 } ::sumAvg: 3.355 atom: 490 42L-H N 9.005 ambi=1 { N:120.695 } atom: 262 24Y-QD D 7.092 ambi=3 { CD1:132.659 } ::sumAvg: 4.945 atom: 286 26K-H N 8.728 ambi=1 { N:122.955 } atom: 277 25P-HG2 G 2.2 ambi=2 { CG:28.139 } :: atom: 286 26K-H N 8.728 ambi=1 { N:122.955 } atom: 278 25P-HG3 G 2.102 ambi=2 { CG:28.139 } ::sumAvg: 4.835 atom: 286 26K-H N 8.728 ambi=1 { N:122.955 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } ::sumAvg: 4.755 atom: 286 26K-H N 8.728 ambi=1 { N:122.955 } atom: 473 40K-HE2 E 3.154 ambi=2 { CE:42.329 } :: atom: 286 26K-H N 8.728 ambi=1 { N:122.955 } atom: 474 40K-HE3 E 2.873 ambi=2 { CE:42.329 } ::sumAvg: 4.77 atom: 465 40K-H N 8.903 ambi=1 { N:122.261 } atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } ::sumAvg: 4.635 atom: 482 41S-H N 8.988 ambi=1 { N:123.588 } atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } ::sumAvg: 4.45 atom: 451 39L-H N 9.058 ambi=1 { N:119.38 } atom: 290 26K-QG G 1.328 ambi=2 { CG:25.073 } ::sumAvg: 4.165 atom: 715 61D-H N 6.997 ambi=1 { N:112.739 } atom: 292 26K-HD2 D 1.542 ambi=2 { CD:29.604 } :: atom: 715 61D-H N 6.997 ambi=1 { N:112.739 } atom: 293 26K-HD3 D 1.276 ambi=2 { CD:29.604 } ::sumAvg: 4.435 atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } ::sumAvg: 4.955 atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } :: atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } ::sumAvg: 4.67 atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } ::sumAvg: 4.87 atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } atom: 455 39L-HG G 1.413 ambi=1 { CG:26.012 } ::sumAvg: 4.62 atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } ::sumAvg: 3.45 atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } ::sumAvg: 4.145 atom: 451 39L-H N 9.058 ambi=1 { N:119.38 } atom: 304 27K-HA A 4.795 ambi=1 { CA:54.728 } ::sumAvg: 4.76 atom: 320 28E-H N 8.547 ambi=1 { N:121.689 } atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } ::sumAvg: 4.955 atom: 320 28E-H N 8.547 ambi=1 { N:121.689 } atom: 451 39L-H N 9.058 ambi=1 { N:119.38 } ::sumAvg: 4.94 atom: 451 39L-H N 9.058 ambi=1 { N:119.38 } atom: 320 28E-H N 8.547 ambi=1 { N:121.689 } ::sumAvg: 4.94 atom: 430 37G-H N 8.225 ambi=1 { N:111.135 } atom: 322 28E-QB B 2.02 ambi=2 { CB:32.453 } ::sumAvg: 4.78 atom: 331 29F-H N 8.174 ambi=1 { N:119.486 } atom: 337 29F-QE E 7.341 ambi=3 { CE1:131.108 } ::sumAvg: 4.65 atom: 331 29F-H N 8.174 ambi=1 { N:119.486 } atom: 350 30S-HA A 4.938 ambi=1 { CA:57.827 } ::sumAvg: 4.825 atom: 331 29F-H N 8.174 ambi=1 { N:119.486 } atom: 431 37G-HA2 A 4.424 ambi=2 { CA:43.812 } :: atom: 331 29F-H N 8.174 ambi=1 { N:119.486 } atom: 432 37G-HA3 A 3.076 ambi=2 { CA:43.812 } ::sumAvg: 4.45 atom: 436 38Q-H N 7.997 ambi=1 { N:113.711 } atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } ::sumAvg: 4.86 atom: 357 31R-H N 8.913 ambi=1 { N:123.734 } atom: 399 34G-HA2 A 4.347 ambi=2 { CA:45.321 } :: atom: 357 31R-H N 8.913 ambi=1 { N:123.734 } atom: 400 34G-HA3 A 3.723 ambi=2 { CA:45.321 } ::sumAvg: 4.765 atom: 357 31R-H N 8.913 ambi=1 { N:123.734 } atom: 405 35T-HA A 4.384 ambi=1 { CA:62.077 } ::sumAvg: 4.06 atom: 357 31R-H N 8.913 ambi=1 { N:123.734 } atom: 413 36K-H N 8.42 ambi=1 { N:119.442 } ::sumAvg: 4.89 atom: 413 36K-H N 8.42 ambi=1 { N:119.442 } atom: 357 31R-H N 8.913 ambi=1 { N:123.734 } ::sumAvg: 4.89 atom: 365 31R-HE E 7.184 ambi=1 { NE:84.776 } atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } ::sumAvg: 3.33 atom: 373 32K-H N 8.896 ambi=1 { N:122.362 } atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } ::sumAvg: 2.935 atom: 413 36K-H N 8.42 ambi=1 { N:119.442 } atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } ::sumAvg: 4.66 atom: 430 37G-H N 8.225 ambi=1 { N:111.135 } atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } ::sumAvg: 4.03 atom: 365 31R-HE E 7.184 ambi=1 { NE:84.776 } atom: 361 31R-HG2 G 1.657 ambi=2 { CG:28.724 } :: atom: 365 31R-HE E 7.184 ambi=1 { NE:84.776 } atom: 362 31R-HG3 G 1.5 ambi=2 { CG:28.724 } ::sumAvg: 3.05 atom: 398 34G-H N 8.084 ambi=1 { N:107.892 } atom: 361 31R-HG2 G 1.657 ambi=2 { CG:28.724 } :: atom: 398 34G-H N 8.084 ambi=1 { N:107.892 } atom: 362 31R-HG3 G 1.5 ambi=2 { CG:28.724 } ::sumAvg: 4.385 atom: 373 32K-H N 8.896 ambi=1 { N:122.362 } atom: 363 31R-HD2 D 3.16 ambi=2 { CD:43.392 } :: atom: 373 32K-H N 8.896 ambi=1 { N:122.362 } atom: 364 31R-HD3 D 3.105 ambi=2 { CD:43.392 } ::sumAvg: 4.19 atom: 373 32K-H N 8.896 ambi=1 { N:122.362 } atom: 374 32K-HA A 4.095 ambi=1 { CA:59.147 } ::sumAvg: 2.815 atom: 373 32K-H N 8.896 ambi=1 { N:122.362 } atom: 390 33D-H N 7.634 ambi=1 { N:115.529 } ::sumAvg: 2.695 atom: 373 32K-H N 8.896 ambi=1 { N:122.362 } atom: 398 34G-H N 8.084 ambi=1 { N:107.892 } ::sumAvg: 4.905 atom: 398 34G-H N 8.084 ambi=1 { N:107.892 } atom: 375 32K-QB B 1.89 ambi=2 { CB:31.898 } ::sumAvg: 4.765 atom: 390 33D-H N 7.634 ambi=1 { N:115.529 } atom: 399 34G-HA2 A 4.347 ambi=2 { CA:45.321 } :: atom: 390 33D-H N 7.634 ambi=1 { N:115.529 } atom: 400 34G-HA3 A 3.723 ambi=2 { CA:45.321 } ::sumAvg: 4.84 atom: 430 37G-H N 8.225 ambi=1 { N:111.135 } atom: 417 36K-HG2 G 1.437 ambi=2 { CG:24.708 } :: atom: 430 37G-H N 8.225 ambi=1 { N:111.135 } atom: 418 36K-HG3 G 1.35 ambi=2 { CG:24.708 } ::sumAvg: 4.005 atom: 430 37G-H N 8.225 ambi=1 { N:111.135 } atom: 440 38Q-HG2 G 2.301 ambi=2 { CG:32.046 } :: atom: 430 37G-H N 8.225 ambi=1 { N:111.135 } atom: 441 38Q-HG3 G 1.639 ambi=2 { CG:32.046 } ::sumAvg: 4.955 atom: 436 38Q-H N 7.997 ambi=1 { N:113.711 } atom: 442 38Q-HE21 E2 7.276 ambi=1 { NE2:112.841 } ::sumAvg: 4.895 atom: 442 38Q-HE21 E2 7.276 ambi=1 { NE2:112.841 } atom: 436 38Q-H N 7.997 ambi=1 { N:113.711 } ::sumAvg: 4.895 atom: 451 39L-H N 9.058 ambi=1 { N:119.38 } atom: 436 38Q-H N 7.997 ambi=1 { N:113.711 } ::sumAvg: 4.485 atom: 436 38Q-H N 7.997 ambi=1 { N:113.711 } atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } ::sumAvg: 4.995 atom: 442 38Q-HE21 E2 7.276 ambi=1 { NE2:112.841 } atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } :: atom: 443 38Q-HE22 E2 7.017 ambi=1 { NE2:112.841 } atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } ::sumAvg: 4.395 atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } ::sumAvg: 4.66 atom: 451 39L-H N 9.058 ambi=1 { N:119.38 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } ::sumAvg: 4.885 atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } ::sumAvg: 4.96 atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } atom: 453 39L-HB2 B 1.382 ambi=2 { CB:44.492 } :: atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } ::sumAvg: 4.465 atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } :: atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } ::sumAvg: 3.855 atom: 465 40K-H N 8.903 ambi=1 { N:122.261 } atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } ::sumAvg: 4.76 atom: 465 40K-H N 8.903 ambi=1 { N:122.261 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } ::sumAvg: 3.685 atom: 723 62F-H N 7.851 ambi=1 { N:124.447 } atom: 471 40K-HD2 D 1.896 ambi=2 { CD:30.617 } :: atom: 723 62F-H N 7.851 ambi=1 { N:124.447 } atom: 472 40K-HD3 D 1.718 ambi=2 { CD:30.617 } ::sumAvg: 4.67 atom: 752 64V-H N 7.492 ambi=1 { N:124.341 } atom: 473 40K-HE2 E 3.154 ambi=2 { CE:42.329 } :: atom: 752 64V-H N 7.492 ambi=1 { N:124.341 } atom: 474 40K-HE3 E 2.873 ambi=2 { CE:42.329 } ::sumAvg: 4.895 atom: 482 41S-H N 8.988 ambi=1 { N:123.588 } atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } ::sumAvg: 4.965 atom: 482 41S-H N 8.988 ambi=1 { N:123.588 } atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } ::sumAvg: 4.965 atom: 614 52R-HE E 7.118 ambi=1 { NE:84.268 } atom: 484 41S-HB2 B 3.718 ambi=2 { CB:64.486 } :: atom: 614 52R-HE E 7.118 ambi=1 { NE:84.268 } atom: 485 41S-HB3 B 3.586 ambi=2 { CB:64.486 } ::sumAvg: 4.645 atom: 490 42L-H N 9.005 ambi=1 { N:120.695 } atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } ::sumAvg: 4.71 atom: 490 42L-H N 9.005 ambi=1 { N:120.695 } atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } ::sumAvg: 4.785 atom: 622 53G-H N 9.053 ambi=1 { N:109.869 } atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } ::sumAvg: 4.72 atom: 622 53G-H N 9.053 ambi=1 { N:109.869 } atom: 494 42L-HG G 1.627 ambi=1 { CG:27.122 } ::sumAvg: 4.285 atom: 752 64V-H N 7.492 ambi=1 { N:124.341 } atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } :: atom: 752 64V-H N 7.492 ambi=1 { N:124.341 } atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } ::sumAvg: 4.765 atom: 504 43F-H N 9.053 ambi=1 { N:123.16 } atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } :: atom: 504 43F-H N 9.053 ambi=1 { N:123.16 } atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } ::sumAvg: 3.88 atom: 504 43F-H N 9.053 ambi=1 { N:123.16 } atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } ::sumAvg: 4.89 atom: 606 52R-H N 7.513 ambi=1 { N:125.893 } atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } ::sumAvg: 4.965 atom: 592 51I-H N 9.231 ambi=1 { N:120.991 } atom: 508 43F-QD D 7.123 ambi=3 { CD1:130.766 } ::sumAvg: 4.41 atom: 622 53G-H N 9.053 ambi=1 { N:109.869 } atom: 508 43F-QD D 7.123 ambi=3 { CD1:130.766 } ::sumAvg: 4.685 atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } ::sumAvg: 4.975 atom: 592 51I-H N 9.231 ambi=1 { N:120.991 } atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } ::sumAvg: 4.985 atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } ::sumAvg: 4.96 atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } atom: 606 52R-H N 7.513 ambi=1 { N:125.893 } ::sumAvg: 4.84 atom: 606 52R-H N 7.513 ambi=1 { N:125.893 } atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } ::sumAvg: 4.84 atom: 592 51I-H N 9.231 ambi=1 { N:120.991 } atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } ::sumAvg: 4.885 atom: 536 45K-H N 9.209 ambi=1 { N:120.149 } atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } ::sumAvg: 4.915 atom: 536 45K-H N 9.209 ambi=1 { N:120.149 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } ::sumAvg: 4.8 atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } atom: 540 45K-HG2 G 1.392 ambi=2 { CG:24.31 } :: atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } atom: 541 45K-HG3 G 1.358 ambi=2 { CG:24.31 } ::sumAvg: 4.375 atom: 584 50S-H N 8.255 ambi=1 { N:111.88 } atom: 540 45K-HG2 G 1.392 ambi=2 { CG:24.31 } :: atom: 584 50S-H N 8.255 ambi=1 { N:111.88 } atom: 541 45K-HG3 G 1.358 ambi=2 { CG:24.31 } ::sumAvg: 4.27 atom: 553 46D-H N 8.91 ambi=1 { N:126.536 } atom: 544 45K-QE E 2.857 ambi=2 { CE:42.108 } ::sumAvg: 4.15 atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } atom: 544 45K-QE E 2.857 ambi=2 { CE:42.108 } ::sumAvg: 4.745 atom: 584 50S-H N 8.255 ambi=1 { N:111.88 } atom: 544 45K-QE E 2.857 ambi=2 { CE:42.108 } ::sumAvg: 4.775 atom: 569 48T-H N 9.629 ambi=1 { N:111.625 } atom: 553 46D-H N 8.91 ambi=1 { N:126.536 } ::sumAvg: 4.16 atom: 553 46D-H N 8.91 ambi=1 { N:126.536 } atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } ::sumAvg: 4.18 atom: 553 46D-H N 8.91 ambi=1 { N:126.536 } atom: 584 50S-H N 8.255 ambi=1 { N:111.88 } ::sumAvg: 4.89 atom: 584 50S-H N 8.255 ambi=1 { N:111.88 } atom: 553 46D-H N 8.91 ambi=1 { N:126.536 } ::sumAvg: 4.89 atom: 569 48T-H N 9.629 ambi=1 { N:111.625 } atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } ::sumAvg: 4.225 atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } ::sumAvg: 4.765 atom: 569 48T-H N 9.629 ambi=1 { N:111.625 } atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } :: atom: 569 48T-H N 9.629 ambi=1 { N:111.625 } atom: 556 46D-HB3 B 3.08 ambi=2 { CB:41.838 } ::sumAvg: 2.85 atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } :: atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } atom: 556 46D-HB3 B 3.08 ambi=2 { CB:41.838 } ::sumAvg: 3.925 atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } atom: 563 47D-QB B 2.794 ambi=2 { CB:39.384 } ::sumAvg: 4.805 atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } ::sumAvg: 4.285 atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } ::sumAvg: 4.875 atom: 584 50S-H N 8.255 ambi=1 { N:111.88 } atom: 592 51I-H N 9.231 ambi=1 { N:120.991 } ::sumAvg: 4.47 atom: 592 51I-H N 9.231 ambi=1 { N:120.991 } atom: 584 50S-H N 8.255 ambi=1 { N:111.88 } ::sumAvg: 4.47 atom: 592 51I-H N 9.231 ambi=1 { N:120.991 } atom: 606 52R-H N 7.513 ambi=1 { N:125.893 } ::sumAvg: 4.31 atom: 606 52R-H N 7.513 ambi=1 { N:125.893 } atom: 592 51I-H N 9.231 ambi=1 { N:120.991 } ::sumAvg: 4.31 atom: 592 51I-H N 9.231 ambi=1 { N:120.991 } atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } ::sumAvg: 4.685 atom: 963 83L-H N 8.687 ambi=1 { N:121.184 } atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } :: atom: 963 83L-H N 8.687 ambi=1 { N:121.184 } atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } ::sumAvg: 4.705 atom: 963 83L-H N 8.687 ambi=1 { N:121.184 } atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } ::sumAvg: 4.84 atom: 606 52R-H N 7.513 ambi=1 { N:125.893 } atom: 612 52R-QD D 3.08 ambi=2 { CD:43.423 } ::sumAvg: 4.525 atom: 622 53G-H N 9.053 ambi=1 { N:109.869 } atom: 606 52R-H N 7.513 ambi=1 { N:125.893 } ::sumAvg: 4.41 atom: 606 52R-H N 7.513 ambi=1 { N:125.893 } atom: 963 83L-H N 8.687 ambi=1 { N:121.184 } ::sumAvg: 4.705 atom: 988 85I-H N 9.042 ambi=1 { N:120.723 } atom: 606 52R-H N 7.513 ambi=1 { N:125.893 } ::sumAvg: 4.89 atom: 614 52R-HE E 7.118 ambi=1 { NE:84.268 } atom: 608 52R-HB2 B 1.875 ambi=2 { CB:32.022 } :: atom: 614 52R-HE E 7.118 ambi=1 { NE:84.268 } atom: 609 52R-HB3 B 1.741 ambi=2 { CB:32.022 } ::sumAvg: 3.62 atom: 614 52R-HE E 7.118 ambi=1 { NE:84.268 } atom: 610 52R-HG2 G 1.548 ambi=2 { CG:28.021 } :: atom: 614 52R-HE E 7.118 ambi=1 { NE:84.268 } atom: 611 52R-HG3 G 1.466 ambi=2 { CG:28.021 } ::sumAvg: 2.815 atom: 622 53G-H N 9.053 ambi=1 { N:109.869 } atom: 628 54T-H N 8.516 ambi=1 { N:116.809 } ::sumAvg: 4.535 atom: 628 54T-H N 8.516 ambi=1 { N:116.809 } atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } ::sumAvg: 4.89 atom: 628 54T-H N 8.516 ambi=1 { N:116.809 } atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } ::sumAvg: 4.94 atom: 628 54T-H N 8.516 ambi=1 { N:116.809 } atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } :: atom: 628 54T-H N 8.516 ambi=1 { N:116.809 } atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } ::sumAvg: 4.555 atom: 628 54T-H N 8.516 ambi=1 { N:116.809 } atom: 656 56W-HE1 E1 9.976 ambi=1 { NE1:129.108 } ::sumAvg: 4.94 atom: 628 54T-H N 8.516 ambi=1 { N:116.809 } atom: 990 85I-HB B 1.396 ambi=1 { CB:41.988 } ::sumAvg: 4.35 atom: 628 54T-H N 8.516 ambi=1 { N:116.809 } atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } ::sumAvg: 4.9 atom: 628 54T-H N 8.516 ambi=1 { N:116.809 } atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } ::sumAvg: 4.53 atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } atom: 630 54T-HB B 3.673 ambi=1 { CB:70.681 } ::sumAvg: 3.87 atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } ::sumAvg: 4.475 atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } atom: 651 56W-H N 9.44 ambi=1 { N:122.317 } ::sumAvg: 4.44 atom: 651 56W-H N 9.44 ambi=1 { N:122.317 } atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } ::sumAvg: 4.44 atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } ::sumAvg: 4.865 atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } ::sumAvg: 4.725 atom: 694 59L-H N 7.931 ambi=1 { N:118.982 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } :: atom: 694 59L-H N 7.931 ambi=1 { N:118.982 } atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } ::sumAvg: 4.615 atom: 715 61D-H N 6.997 ambi=1 { N:112.739 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } :: atom: 715 61D-H N 6.997 ambi=1 { N:112.739 } atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } ::sumAvg: 4.95 atom: 723 62F-H N 7.851 ambi=1 { N:124.447 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } :: atom: 723 62F-H N 7.851 ambi=1 { N:124.447 } atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } ::sumAvg: 4.665 atom: 715 61D-H N 6.997 ambi=1 { N:112.739 } atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } :: atom: 715 61D-H N 6.997 ambi=1 { N:112.739 } atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } ::sumAvg: 4.75 atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } :: atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } ::sumAvg: 4.065 atom: 651 56W-H N 9.44 ambi=1 { N:122.317 } atom: 694 59L-H N 7.931 ambi=1 { N:118.982 } ::sumAvg: 4.59 atom: 694 59L-H N 7.931 ambi=1 { N:118.982 } atom: 651 56W-H N 9.44 ambi=1 { N:122.317 } ::sumAvg: 4.59 atom: 651 56W-H N 9.44 ambi=1 { N:122.317 } atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } ::sumAvg: 4.705 atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } atom: 651 56W-H N 9.44 ambi=1 { N:122.317 } ::sumAvg: 4.705 atom: 651 56W-H N 9.44 ambi=1 { N:122.317 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } ::sumAvg: 4.675 atom: 651 56W-H N 9.44 ambi=1 { N:122.317 } atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } ::sumAvg: 4.22 atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } atom: 651 56W-H N 9.44 ambi=1 { N:122.317 } ::sumAvg: 4.22 atom: 651 56W-H N 9.44 ambi=1 { N:122.317 } atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } :: atom: 651 56W-H N 9.44 ambi=1 { N:122.317 } atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } ::sumAvg: 4.47 atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } ::sumAvg: 4.69 atom: 656 56W-HE1 E1 9.976 ambi=1 { NE1:129.108 } atom: 653 56W-HB2 B 3.345 ambi=2 { CB:32.242 } :: atom: 656 56W-HE1 E1 9.976 ambi=1 { NE1:129.108 } atom: 654 56W-HB3 B 3.224 ambi=2 { CB:32.242 } ::sumAvg: 4.755 atom: 656 56W-HE1 E1 9.976 ambi=1 { NE1:129.108 } atom: 660 56W-HH2 H2 6.939 ambi=1 { CH2:124.431 } ::sumAvg: 4.98 atom: 656 56W-HE1 E1 9.976 ambi=1 { NE1:129.108 } atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } ::sumAvg: 4.895 atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } atom: 656 56W-HE1 E1 9.976 ambi=1 { NE1:129.108 } ::sumAvg: 4.895 atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } atom: 656 56W-HE1 E1 9.976 ambi=1 { NE1:129.108 } ::sumAvg: 3.37 atom: 656 56W-HE1 E1 9.976 ambi=1 { NE1:129.108 } atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } :: atom: 656 56W-HE1 E1 9.976 ambi=1 { NE1:129.108 } atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } ::sumAvg: 4.94 atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } atom: 675 57N-HD21 D2 8.104 ambi=1 { ND2:115.283 } ::sumAvg: 4.995 atom: 675 57N-HD21 D2 8.104 ambi=1 { ND2:115.283 } atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } ::sumAvg: 4.995 atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } atom: 683 58E-H N 10.032 ambi=1 { N:127.238 } ::sumAvg: 4.575 atom: 683 58E-H N 10.032 ambi=1 { N:127.238 } atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } ::sumAvg: 4.575 atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } atom: 694 59L-H N 7.931 ambi=1 { N:118.982 } ::sumAvg: 4.6 atom: 694 59L-H N 7.931 ambi=1 { N:118.982 } atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } ::sumAvg: 4.6 atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } :: atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } ::sumAvg: 4.785 atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } ::sumAvg: 4.21 atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } ::sumAvg: 4.21 atom: 675 57N-HD21 D2 8.104 ambi=1 { ND2:115.283 } atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } :: atom: 676 57N-HD22 D2 7.15 ambi=1 { ND2:115.283 } atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } ::sumAvg: 4.44 atom: 694 59L-H N 7.931 ambi=1 { N:118.982 } atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } ::sumAvg: 4.51 atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } ::sumAvg: 4.445 atom: 683 58E-H N 10.032 ambi=1 { N:127.238 } atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } :: atom: 683 58E-H N 10.032 ambi=1 { N:127.238 } atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } ::sumAvg: 4.855 atom: 683 58E-H N 10.032 ambi=1 { N:127.238 } atom: 698 59L-HG G 1.899 ambi=1 { CG:27.818 } ::sumAvg: 4.505 atom: 683 58E-H N 10.032 ambi=1 { N:127.238 } atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } ::sumAvg: 4.325 atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } atom: 683 58E-H N 10.032 ambi=1 { N:127.238 } ::sumAvg: 4.325 atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } atom: 685 58E-QB B 2.202 ambi=2 { CB:28.259 } ::sumAvg: 4.635 atom: 715 61D-H N 6.997 ambi=1 { N:112.739 } atom: 685 58E-QB B 2.202 ambi=2 { CB:28.259 } ::sumAvg: 4.79 atom: 715 61D-H N 6.997 ambi=1 { N:112.739 } atom: 694 59L-H N 7.931 ambi=1 { N:118.982 } ::sumAvg: 4.26 atom: 723 62F-H N 7.851 ambi=1 { N:124.447 } atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } :: atom: 723 62F-H N 7.851 ambi=1 { N:124.447 } atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } ::sumAvg: 4.72 atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } :: atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } ::sumAvg: 4.235 atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } :: atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } ::sumAvg: 3.86 atom: 1029 89N-H N 7.86 ambi=1 { N:116.698 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } :: atom: 1029 89N-H N 7.86 ambi=1 { N:116.698 } atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } ::sumAvg: 3.85 atom: 723 62F-H N 7.851 ambi=1 { N:124.447 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } ::sumAvg: 4.42 atom: 715 61D-H N 6.997 ambi=1 { N:112.739 } atom: 724 62F-HA A 4.099 ambi=1 { CA:59.847 } ::sumAvg: 4.975 atom: 723 62F-H N 7.851 ambi=1 { N:124.447 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } ::sumAvg: 4.815 atom: 741 63E-H N 7.929 ambi=1 { N:129.551 } atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } ::sumAvg: 4.495 atom: 1055 91G-H N 8.357 ambi=1 { N:112.28 } atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } ::sumAvg: 4.585 atom: 1061 92I-H N 9.023 ambi=1 { N:122.874 } atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } ::sumAvg: 3.625 atom: 1055 91G-H N 8.357 ambi=1 { N:112.28 } atom: 731 62F-HZ Z 7.264 ambi=1 { CZ:129.751 } ::sumAvg: 4.525 atom: 741 63E-H N 7.929 ambi=1 { N:129.551 } atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } :: atom: 741 63E-H N 7.929 ambi=1 { N:129.551 } atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } ::sumAvg: 4.76 atom: 752 64V-H N 7.492 ambi=1 { N:124.341 } atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } ::sumAvg: 4.965 atom: 752 64V-H N 7.492 ambi=1 { N:124.341 } atom: 767 65K-HG2 G 1.418 ambi=2 { CG:23.53 } :: atom: 752 64V-H N 7.492 ambi=1 { N:124.341 } atom: 768 65K-HG3 G 1.182 ambi=2 { CG:23.53 } ::sumAvg: 4.41 atom: 752 64V-H N 7.492 ambi=1 { N:124.341 } atom: 771 65K-QE E 2.953 ambi=2 { CE:42.32 } ::sumAvg: 4.91 atom: 780 66K-H N 8.38 ambi=1 { N:119.894 } atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } :: atom: 780 66K-H N 8.38 ambi=1 { N:119.894 } atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } ::sumAvg: 4.82 atom: 763 65K-H N 9.121 ambi=1 { N:126.71 } atom: 771 65K-QE E 2.953 ambi=2 { CE:42.32 } ::sumAvg: 4.745 atom: 797 67G-H N 9.371 ambi=1 { N:116.379 } atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } :: atom: 797 67G-H N 9.371 ambi=1 { N:116.379 } atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } ::sumAvg: 4.82 atom: 1089 94E-H N 8.137 ambi=1 { N:122.628 } atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } :: atom: 1089 94E-H N 8.137 ambi=1 { N:122.628 } atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } ::sumAvg: 4.845 atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } atom: 811 69I-H N 8.835 ambi=1 { N:120.662 } ::sumAvg: 4.445 atom: 1089 94E-H N 8.137 ambi=1 { N:122.628 } atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } ::sumAvg: 4.885 atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } atom: 814 69I-HG12 G1 1.476 ambi=2 { CG1:27.03 } :: atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } atom: 815 69I-HG13 G1 1.375 ambi=2 { CG1:27.03 } ::sumAvg: 4.745 atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } atom: 832 71E-H N 8.997 ambi=1 { N:122.821 } ::sumAvg: 4.47 atom: 832 71E-H N 8.997 ambi=1 { N:122.821 } atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } ::sumAvg: 4.47 atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } atom: 1066 92I-HG2 G2 0.916 ambi=1 { CG2:17.806 } ::sumAvg: 4.925 atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } atom: 1077 93I-HB B 1.69 ambi=1 { CB:38.474 } ::sumAvg: 4.92 atom: 1055 91G-H N 8.357 ambi=1 { N:112.28 } atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } ::sumAvg: 4.845 atom: 1089 94E-H N 8.137 ambi=1 { N:122.628 } atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } ::sumAvg: 4.84 atom: 832 71E-H N 8.997 ambi=1 { N:122.821 } atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } ::sumAvg: 4.985 atom: 1055 91G-H N 8.357 ambi=1 { N:112.28 } atom: 833 71E-HA A 5.076 ambi=1 { CA:55.278 } ::sumAvg: 4.95 atom: 843 72V-H N 9.012 ambi=1 { N:127.424 } atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } ::sumAvg: 4.925 atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } ::sumAvg: 4.845 atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } ::sumAvg: 4.32 atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } ::sumAvg: 4.945 atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } atom: 1041 90I-H N 8.127 ambi=1 { N:121.454 } ::sumAvg: 4.815 atom: 1041 90I-H N 8.127 ambi=1 { N:121.454 } atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } ::sumAvg: 4.815 atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } ::sumAvg: 4.13 atom: 1029 89N-H N 7.86 ambi=1 { N:116.698 } atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } ::sumAvg: 4.895 atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } :: atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } ::sumAvg: 4.425 atom: 1029 89N-H N 7.86 ambi=1 { N:116.698 } atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } :: atom: 1029 89N-H N 7.86 ambi=1 { N:116.698 } atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } ::sumAvg: 3.095 atom: 1033 89N-HD21 D2 7.634 ambi=1 { ND2:113.449 } atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } :: atom: 1033 89N-HD21 D2 7.634 ambi=1 { ND2:113.449 } atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } ::sumAvg: 4.15 atom: 862 74G-H N 8.809 ambi=1 { N:112.02 } atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } ::sumAvg: 4.83 atom: 862 74G-H N 8.809 ambi=1 { N:112.02 } atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } ::sumAvg: 4.85 atom: 862 74G-H N 8.809 ambi=1 { N:112.02 } atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } ::sumAvg: 4.56 atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } atom: 862 74G-H N 8.809 ambi=1 { N:112.02 } ::sumAvg: 4.56 atom: 862 74G-H N 8.809 ambi=1 { N:112.02 } atom: 1023 88D-QB B 2.656 ambi=2 { CB:43.02 } ::sumAvg: 4.91 atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } :: atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } ::sumAvg: 4.73 atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } :: atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } ::sumAvg: 4.765 atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } atom: 868 75Y-H N 8.069 ambi=1 { N:119.656 } ::sumAvg: 4.32 atom: 868 75Y-H N 8.069 ambi=1 { N:119.656 } atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } ::sumAvg: 4.985 atom: 868 75Y-H N 8.069 ambi=1 { N:119.656 } atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } ::sumAvg: 4.52 atom: 868 75Y-H N 8.069 ambi=1 { N:119.656 } atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } ::sumAvg: 4.725 atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } ::sumAvg: 4.85 atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } atom: 870 75Y-HB2 B 3.062 ambi=2 { CB:41.534 } :: atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } atom: 871 75Y-HB3 B 2.931 ambi=2 { CB:41.534 } ::sumAvg: 3.695 atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } atom: 872 75Y-QD D 7.009 ambi=3 { CD1:133.337 } ::sumAvg: 4.595 atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } ::sumAvg: 4.525 atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } ::sumAvg: 4.525 atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } ::sumAvg: 4.56 atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } ::sumAvg: 4.85 atom: 977 84E-H N 8.803 ambi=1 { N:118.732 } atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } ::sumAvg: 4.555 atom: 988 85I-H N 9.042 ambi=1 { N:120.723 } atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } ::sumAvg: 4.675 atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } ::sumAvg: 4.23 atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } ::sumAvg: 4.905 atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } ::sumAvg: 4.765 atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } ::sumAvg: 4.87 atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } atom: 981 84E-HG2 G 2.041 ambi=2 { CG:36.038 } :: atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } atom: 982 84E-HG3 G 1.983 ambi=2 { CG:36.038 } ::sumAvg: 4.75 atom: 977 84E-H N 8.803 ambi=1 { N:118.732 } atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } ::sumAvg: 4.82 atom: 918 78Q-HE21 E2 7.559 ambi=1 { NE2:111.825 } atom: 914 78Q-HB2 B 2.074 ambi=2 { CB:29.19 } :: atom: 919 78Q-HE22 E2 6.799 ambi=1 { NE2:111.825 } atom: 914 78Q-HB2 B 2.074 ambi=2 { CB:29.19 } :: atom: 918 78Q-HE21 E2 7.559 ambi=1 { NE2:111.825 } atom: 915 78Q-HB3 B 1.854 ambi=2 { CB:29.19 } :: atom: 919 78Q-HE22 E2 6.799 ambi=1 { NE2:111.825 } atom: 915 78Q-HB3 B 1.854 ambi=2 { CB:29.19 } ::sumAvg: 4.35 atom: 933 80Y-H N 8.725 ambi=1 { N:120.862 } atom: 937 80Y-QD D 7.164 ambi=3 { CD1:133.142 } ::sumAvg: 3.21 atom: 949 81S-H N 8.488 ambi=1 { N:112.931 } atom: 937 80Y-QD D 7.164 ambi=3 { CD1:133.142 } ::sumAvg: 4.015 atom: 949 81S-H N 8.488 ambi=1 { N:112.931 } atom: 958 82G-HA2 A 4.416 ambi=2 { CA:44.078 } :: atom: 949 81S-H N 8.488 ambi=1 { N:112.931 } atom: 959 82G-HA3 A 3.843 ambi=2 { CA:44.078 } ::sumAvg: 4.835 atom: 963 83L-H N 8.687 ambi=1 { N:121.184 } atom: 951 81S-QB B 3.771 ambi=2 { CB:63.68 } ::sumAvg: 4.955 atom: 977 84E-H N 8.803 ambi=1 { N:118.732 } atom: 967 83L-HG G 1.688 ambi=1 { CG:26.613 } ::sumAvg: 3.975 atom: 977 84E-H N 8.803 ambi=1 { N:118.732 } atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } ::sumAvg: 4.815 atom: 988 85I-H N 9.042 ambi=1 { N:120.723 } atom: 981 84E-HG2 G 2.041 ambi=2 { CG:36.038 } :: atom: 988 85I-H N 9.042 ambi=1 { N:120.723 } atom: 982 84E-HG3 G 1.983 ambi=2 { CG:36.038 } ::sumAvg: 3.545 atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } ::sumAvg: 4.405 atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } ::sumAvg: 4.98 atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } ::sumAvg: 4.545 atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } ::sumAvg: 4.545 atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } ::sumAvg: 4.16 atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } ::sumAvg: 4.695 atom: 1029 89N-H N 7.86 ambi=1 { N:116.698 } atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } ::sumAvg: 4.805 atom: 1029 89N-H N 7.86 ambi=1 { N:116.698 } atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } ::sumAvg: 4.635 atom: 1029 89N-H N 7.86 ambi=1 { N:116.698 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } ::sumAvg: 4.855 atom: 1041 90I-H N 8.127 ambi=1 { N:121.454 } atom: 1033 89N-HD21 D2 7.634 ambi=1 { ND2:113.449 } ::sumAvg: 4.97 atom: 1055 91G-H N 8.357 ambi=1 { N:112.28 } atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } ::sumAvg: 4.775 atom: 1100 95K-H N 8.632 ambi=1 { N:124.835 } atom: 1063 92I-HB B 2.076 ambi=1 { CB:36.938 } ::sumAvg: 4.68 atom: 1117 96S-H N 8.896 ambi=1 { N:117.785 } atom: 1066 92I-HG2 G2 0.916 ambi=1 { CG2:17.806 } ::sumAvg: 4.54 atom: 1089 94E-H N 8.137 ambi=1 { N:122.628 } atom: 1101 95K-HA A 4.344 ambi=1 { CA:56.276 } ::sumAvg: 4.89 atom: 1125 97L-H N 8.433 ambi=1 { N:123.92 } atom: 1102 95K-HB2 B 1.818 ambi=2 { CB:33.345 } :: atom: 1125 97L-H N 8.433 ambi=1 { N:123.92 } atom: 1103 95K-HB3 B 1.706 ambi=2 { CB:33.345 } ::sumAvg: 4.6 atom: 1117 96S-H N 8.896 ambi=1 { N:117.785 } atom: 1104 95K-HG2 G 1.461 ambi=2 { CG:25.061 } :: atom: 1117 96S-H N 8.896 ambi=1 { N:117.785 } atom: 1105 95K-HG3 G 1.37 ambi=2 { CG:25.061 } ::sumAvg: 3.98 atom: 1139 98E-H N 8.183 ambi=1 { N:120.326 } atom: 1119 96S-HB2 B 3.93 ambi=2 { CB:63.785 } :: atom: 1139 98E-H N 8.183 ambi=1 { N:120.326 } atom: 1120 96S-HB3 B 3.806 ambi=2 { CB:63.785 } ::sumAvg: 4.735 atom: 1125 97L-H N 8.433 ambi=1 { N:123.92 } atom: 1140 98E-HA A 4.133 ambi=1 { CA:56.919 } ::sumAvg: 4.97 # Missing interactons for c_aro.peaks atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } atom: 1 1M-HA A 4.017 ambi=1 { CA:54.771 } ::sumAvg: 4.975 atom: 30 3Y-QE E 6.8 ambi=3 { CE1:117.91 } atom: 1 1M-HA A 4.017 ambi=1 { CA:54.771 } ::sumAvg: 4.125 atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } atom: 2 1M-HB2 B 2.062 ambi=2 { CB:32.726 } :: atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } atom: 3 1M-HB3 B 1.985 ambi=2 { CB:32.726 } ::sumAvg: 3.62 atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } atom: 12 2N-H N 8.463 ambi=1 { N:123.179 } ::sumAvg: 4.93 atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } ::sumAvg: 4.02 atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } ::sumAvg: 4.57 atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } atom: 146 12L-HD1 D1 0.708 ambi=2 { CD1:24.787 } :: atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } atom: 147 12L-HD2 D2 0.571 ambi=2 { CD2:24.811 } ::sumAvg: 3.15 atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } atom: 163 14G-H N 8.559 ambi=1 { N:110.197 } ::sumAvg: 4.94 atom: 30 3Y-QE E 6.8 ambi=3 { CE1:117.91 } atom: 163 14G-H N 8.559 ambi=1 { N:110.197 } ::sumAvg: 4.595 atom: 872 75Y-QD D 7.009 ambi=3 { CD1:133.337 } atom: 155 13S-H N 8.245 ambi=1 { N:116.161 } ::sumAvg: 4.14 atom: 874 75Y-QE E 6.762 ambi=3 { CE1:118.018 } atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } ::sumAvg: 4.67 atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } :: atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } ::sumAvg: 4.315 atom: 508 43F-QD D 7.123 ambi=3 { CD1:130.766 } atom: 233 21V-H N 9.145 ambi=1 { N:130.99 } ::sumAvg: 4.785 atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } ::sumAvg: 4.785 atom: 508 43F-QD D 7.123 ambi=3 { CD1:130.766 } atom: 244 22A-H N 7.767 ambi=1 { N:118.623 } ::sumAvg: 3.56 atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } ::sumAvg: 4.585 atom: 262 24Y-QD D 7.092 ambi=3 { CD1:132.659 } atom: 277 25P-HG2 G 2.2 ambi=2 { CG:28.139 } :: atom: 262 24Y-QD D 7.092 ambi=3 { CD1:132.659 } atom: 278 25P-HG3 G 2.102 ambi=2 { CG:28.139 } ::sumAvg: 4.98 atom: 262 24Y-QD D 7.092 ambi=3 { CD1:132.659 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } ::sumAvg: 4.8 atom: 262 24Y-QD D 7.092 ambi=3 { CD1:132.659 } atom: 482 41S-H N 8.988 ambi=1 { N:123.588 } ::sumAvg: 3.355 atom: 262 24Y-QD D 7.092 ambi=3 { CD1:132.659 } atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } ::sumAvg: 4.73 atom: 262 24Y-QD D 7.092 ambi=3 { CD1:132.659 } atom: 490 42L-H N 9.005 ambi=1 { N:120.695 } ::sumAvg: 4.945 atom: 264 24Y-QE E 6.664 ambi=3 { CE1:118.138 } atom: 279 25P-HD2 D 4.019 ambi=2 { CD:50.612 } :: atom: 264 24Y-QE E 6.664 ambi=3 { CE1:118.138 } atom: 280 25P-HD3 D 3.829 ambi=2 { CD:50.612 } ::sumAvg: 4.51 atom: 264 24Y-QE E 6.664 ambi=3 { CE1:118.138 } atom: 484 41S-HB2 B 3.718 ambi=2 { CB:64.486 } :: atom: 264 24Y-QE E 6.664 ambi=3 { CE1:118.138 } atom: 485 41S-HB3 B 3.586 ambi=2 { CB:64.486 } ::sumAvg: 4.375 atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } atom: 305 27K-HB2 B 1.888 ambi=2 { CB:36.069 } :: atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } atom: 306 27K-HB3 B 1.742 ambi=2 { CB:36.069 } ::sumAvg: 4.77 atom: 337 29F-QE E 7.341 ambi=3 { CE1:131.108 } atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } ::sumAvg: 4.76 atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } atom: 322 28E-QB B 2.02 ambi=2 { CB:32.453 } ::sumAvg: 4.88 atom: 337 29F-QE E 7.341 ambi=3 { CE1:131.108 } atom: 331 29F-H N 8.174 ambi=1 { N:119.486 } ::sumAvg: 4.65 atom: 337 29F-QE E 7.341 ambi=3 { CE1:131.108 } atom: 333 29F-HB2 B 3.174 ambi=2 { CB:41.617 } :: atom: 337 29F-QE E 7.341 ambi=3 { CE1:131.108 } atom: 334 29F-HB3 B 2.967 ambi=2 { CB:41.617 } ::sumAvg: 4.38 atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } atom: 350 30S-HA A 4.938 ambi=1 { CA:57.827 } ::sumAvg: 4.87 atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } atom: 351 30S-HB2 B 3.837 ambi=2 { CB:64.459 } :: atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } atom: 352 30S-HB3 B 3.767 ambi=2 { CB:64.459 } ::sumAvg: 4.855 atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } atom: 358 31R-HA A 4.633 ambi=1 { CA:55.863 } ::sumAvg: 4.825 atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } ::sumAvg: 4.695 atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } atom: 431 37G-HA2 A 4.424 ambi=2 { CA:43.812 } :: atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } atom: 432 37G-HA3 A 3.076 ambi=2 { CA:43.812 } ::sumAvg: 4.92 atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } atom: 436 38Q-H N 7.997 ambi=1 { N:113.711 } ::sumAvg: 4.86 atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } ::sumAvg: 4.94 atom: 337 29F-QE E 7.341 ambi=3 { CE1:131.108 } atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } ::sumAvg: 4.02 atom: 337 29F-QE E 7.341 ambi=3 { CE1:131.108 } atom: 451 39L-H N 9.058 ambi=1 { N:119.38 } ::sumAvg: 3.565 atom: 337 29F-QE E 7.341 ambi=3 { CE1:131.108 } atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } ::sumAvg: 4.025 atom: 339 29F-HZ Z 7.561 ambi=1 { CZ:129.952 } atom: 453 39L-HB2 B 1.382 ambi=2 { CB:44.492 } :: atom: 339 29F-HZ Z 7.561 ambi=1 { CZ:129.952 } atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } ::sumAvg: 4.11 atom: 339 29F-HZ Z 7.561 ambi=1 { CZ:129.952 } atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } :: atom: 339 29F-HZ Z 7.561 ambi=1 { CZ:129.952 } atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } ::sumAvg: 4.345 atom: 657 56W-HE3 E3 7.683 ambi=1 { CE3:120.219 } atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } ::sumAvg: 4.245 atom: 658 56W-HZ2 Z2 7.423 ambi=1 { CZ2:114.58 } atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } :: atom: 658 56W-HZ2 Z2 7.423 ambi=1 { CZ2:114.58 } atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } ::sumAvg: 4.445 atom: 508 43F-QD D 7.123 ambi=3 { CD1:130.766 } atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } ::sumAvg: 4.63 atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } :: atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } ::sumAvg: 3.385 atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } :: atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } ::sumAvg: 3.81 atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } ::sumAvg: 4.48 atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } atom: 506 43F-HB2 B 3.108 ambi=2 { CB:41.838 } :: atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } atom: 507 43F-HB3 B 3.046 ambi=2 { CB:41.838 } ::sumAvg: 4.37 atom: 508 43F-QD D 7.123 ambi=3 { CD1:130.766 } atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } ::sumAvg: 3.125 atom: 508 43F-QD D 7.123 ambi=3 { CD1:130.766 } atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } ::sumAvg: 4.945 atom: 508 43F-QD D 7.123 ambi=3 { CD1:130.766 } atom: 592 51I-H N 9.231 ambi=1 { N:120.991 } ::sumAvg: 4.41 atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } ::sumAvg: 4.975 atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } atom: 592 51I-H N 9.231 ambi=1 { N:120.991 } ::sumAvg: 4.985 atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } ::sumAvg: 4.37 atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } atom: 608 52R-HB2 B 1.875 ambi=2 { CB:32.022 } :: atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } atom: 609 52R-HB3 B 1.741 ambi=2 { CB:32.022 } ::sumAvg: 4.265 atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } atom: 610 52R-HG2 G 1.548 ambi=2 { CG:28.021 } :: atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } atom: 611 52R-HG3 G 1.466 ambi=2 { CG:28.021 } ::sumAvg: 4.555 atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } atom: 612 52R-QD D 3.08 ambi=2 { CD:43.423 } ::sumAvg: 3.955 atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } atom: 630 54T-HB B 3.673 ambi=1 { CB:70.681 } ::sumAvg: 4.47 atom: 658 56W-HZ2 Z2 7.423 ambi=1 { CZ2:114.58 } atom: 630 54T-HB B 3.673 ambi=1 { CB:70.681 } ::sumAvg: 3.775 atom: 660 56W-HH2 H2 6.939 ambi=1 { CH2:124.431 } atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } ::sumAvg: 4.085 atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } :: atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } ::sumAvg: 4.995 atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } :: atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } ::sumAvg: 3.795 atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } ::sumAvg: 3.47 atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } atom: 1004 86S-HB2 B 4.172 ambi=2 { CB:62.971 } :: atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } atom: 1005 86S-HB3 B 3.913 ambi=2 { CB:62.971 } ::sumAvg: 4.805 atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } ::sumAvg: 3.79 atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } :: atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } ::sumAvg: 4.53 atom: 660 56W-HH2 H2 6.939 ambi=1 { CH2:124.431 } atom: 656 56W-HE1 E1 9.976 ambi=1 { NE1:129.108 } ::sumAvg: 4.98 atom: 659 56W-HZ3 Z3 6.521 ambi=1 { CZ3:122.44 } atom: 658 56W-HZ2 Z2 7.423 ambi=1 { CZ2:114.58 } ::sumAvg: 4.295 atom: 658 56W-HZ2 Z2 7.423 ambi=1 { CZ2:114.58 } atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } ::sumAvg: 4.585 atom: 658 56W-HZ2 Z2 7.423 ambi=1 { CZ2:114.58 } atom: 1004 86S-HB2 B 4.172 ambi=2 { CB:62.971 } :: atom: 658 56W-HZ2 Z2 7.423 ambi=1 { CZ2:114.58 } atom: 1005 86S-HB3 B 3.913 ambi=2 { CB:62.971 } ::sumAvg: 4.245 atom: 660 56W-HH2 H2 6.939 ambi=1 { CH2:124.431 } atom: 657 56W-HE3 E3 7.683 ambi=1 { CE3:120.219 } ::sumAvg: 4.26 atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } atom: 695 59L-HA A 4.339 ambi=1 { CA:56.194 } ::sumAvg: 4.94 atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } atom: 724 62F-HA A 4.099 ambi=1 { CA:59.847 } ::sumAvg: 4.595 atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } atom: 725 62F-HB2 B 3.302 ambi=2 { CB:40.472 } :: atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } atom: 726 62F-HB3 B 2.935 ambi=2 { CB:40.472 } ::sumAvg: 4.365 atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } atom: 741 63E-H N 7.929 ambi=1 { N:129.551 } ::sumAvg: 3.51 atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } atom: 742 63E-HA A 4.166 ambi=1 { CA:56.734 } ::sumAvg: 4.705 atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } atom: 752 64V-H N 7.492 ambi=1 { N:124.341 } ::sumAvg: 4.235 atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } ::sumAvg: 4.615 atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } atom: 1044 90I-HG12 G1 1.446 ambi=2 { CG1:28.55 } :: atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } atom: 1045 90I-HG13 G1 0.569 ambi=2 { CG1:28.55 } ::sumAvg: 3.625 atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } ::sumAvg: 2.775 atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } ::sumAvg: 2.63 atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } :: atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } ::sumAvg: 4.22 atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } atom: 1064 92I-HG12 G1 1.695 ambi=2 { CG1:27.365 } :: atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } atom: 1065 92I-HG13 G1 1.652 ambi=2 { CG1:27.365 } ::sumAvg: 4.765 atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } atom: 741 63E-H N 7.929 ambi=1 { N:129.551 } ::sumAvg: 4.495 atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } ::sumAvg: 3.815 atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } ::sumAvg: 3.305 atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } atom: 1055 91G-H N 8.357 ambi=1 { N:112.28 } ::sumAvg: 4.585 atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } :: atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } ::sumAvg: 2.67 atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } atom: 1061 92I-H N 9.023 ambi=1 { N:122.874 } ::sumAvg: 3.625 atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } atom: 1063 92I-HB B 2.076 ambi=1 { CB:36.938 } ::sumAvg: 4.68 atom: 731 62F-HZ Z 7.264 ambi=1 { CZ:129.751 } atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } ::sumAvg: 4.205 atom: 731 62F-HZ Z 7.264 ambi=1 { CZ:129.751 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } ::sumAvg: 4.03 atom: 731 62F-HZ Z 7.264 ambi=1 { CZ:129.751 } atom: 1055 91G-H N 8.357 ambi=1 { N:112.28 } ::sumAvg: 4.525 atom: 731 62F-HZ Z 7.264 ambi=1 { CZ:129.751 } atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } ::sumAvg: 3.8 atom: 731 62F-HZ Z 7.264 ambi=1 { CZ:129.751 } atom: 1063 92I-HB B 2.076 ambi=1 { CB:36.938 } ::sumAvg: 4.185 atom: 872 75Y-QD D 7.009 ambi=3 { CD1:133.337 } atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } :: atom: 872 75Y-QD D 7.009 ambi=3 { CD1:133.337 } atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } ::sumAvg: 4.615 atom: 874 75Y-QE E 6.762 ambi=3 { CE1:118.018 } atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } ::sumAvg: 4.59 atom: 872 75Y-QD D 7.009 ambi=3 { CD1:133.337 } atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } ::sumAvg: 4.595 atom: 937 80Y-QD D 7.164 ambi=3 { CD1:133.142 } atom: 933 80Y-H N 8.725 ambi=1 { N:120.862 } ::sumAvg: 3.21 atom: 937 80Y-QD D 7.164 ambi=3 { CD1:133.142 } atom: 949 81S-H N 8.488 ambi=1 { N:112.931 } ::sumAvg: 4.015 # Missing interactons for c_ali.peaks atom: 6 1M-HE E 2.011 ambi=1 { CE:16.794 } atom: 1 1M-HA A 4.017 ambi=1 { CA:54.771 } ::sumAvg: 3.8 atom: 1 1M-HA A 4.017 ambi=1 { CA:54.771 } atom: 14 2N-HB2 B 2.632 ambi=2 { CB:39.376 } :: atom: 1 1M-HA A 4.017 ambi=1 { CA:54.771 } atom: 15 2N-HB3 B 2.536 ambi=2 { CB:39.376 } ::sumAvg: 4.75 atom: 14 2N-HB2 B 2.632 ambi=2 { CB:39.376 } atom: 1 1M-HA A 4.017 ambi=1 { CA:54.771 } :: atom: 15 2N-HB3 B 2.536 ambi=2 { CB:39.376 } atom: 1 1M-HA A 4.017 ambi=1 { CA:54.771 } ::sumAvg: 4.75 atom: 1 1M-HA A 4.017 ambi=1 { CA:54.771 } atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } ::sumAvg: 4.485 atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } atom: 1 1M-HA A 4.017 ambi=1 { CA:54.771 } ::sumAvg: 4.485 atom: 1 1M-HA A 4.017 ambi=1 { CA:54.771 } atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } ::sumAvg: 4.975 atom: 1 1M-HA A 4.017 ambi=1 { CA:54.771 } atom: 30 3Y-QE E 6.8 ambi=3 { CE1:117.91 } ::sumAvg: 4.125 atom: 1 1M-HA A 4.017 ambi=1 { CA:54.771 } atom: 169 15T-H N 8.296 ambi=1 { N:116.14 } ::sumAvg: 4.915 atom: 2 1M-HB2 B 2.062 ambi=2 { CB:32.726 } atom: 12 2N-H N 8.463 ambi=1 { N:123.179 } :: atom: 3 1M-HB3 B 1.985 ambi=2 { CB:32.726 } atom: 12 2N-H N 8.463 ambi=1 { N:123.179 } ::sumAvg: 3.93 atom: 2 1M-HB2 B 2.062 ambi=2 { CB:32.726 } atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } :: atom: 3 1M-HB3 B 1.985 ambi=2 { CB:32.726 } atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } ::sumAvg: 4.96 atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } atom: 2 1M-HB2 B 2.062 ambi=2 { CB:32.726 } :: atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } atom: 3 1M-HB3 B 1.985 ambi=2 { CB:32.726 } ::sumAvg: 4.96 atom: 2 1M-HB2 B 2.062 ambi=2 { CB:32.726 } atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } :: atom: 3 1M-HB3 B 1.985 ambi=2 { CB:32.726 } atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } ::sumAvg: 3.62 atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 2 1M-HB2 B 2.062 ambi=2 { CB:32.726 } :: atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } atom: 2 1M-HB2 B 2.062 ambi=2 { CB:32.726 } :: atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 3 1M-HB3 B 1.985 ambi=2 { CB:32.726 } :: atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } atom: 3 1M-HB3 B 1.985 ambi=2 { CB:32.726 } ::sumAvg: 3.32 atom: 2 1M-HB2 B 2.062 ambi=2 { CB:32.726 } atom: 169 15T-H N 8.296 ambi=1 { N:116.14 } :: atom: 3 1M-HB3 B 1.985 ambi=2 { CB:32.726 } atom: 169 15T-H N 8.296 ambi=1 { N:116.14 } ::sumAvg: 3.51 atom: 2 1M-HB2 B 2.062 ambi=2 { CB:32.726 } atom: 171 15T-HB B 3.835 ambi=1 { CB:71.682 } :: atom: 3 1M-HB3 B 1.985 ambi=2 { CB:32.726 } atom: 171 15T-HB B 3.835 ambi=1 { CB:71.682 } ::sumAvg: 4.88 atom: 171 15T-HB B 3.835 ambi=1 { CB:71.682 } atom: 2 1M-HB2 B 2.062 ambi=2 { CB:32.726 } :: atom: 171 15T-HB B 3.835 ambi=1 { CB:71.682 } atom: 3 1M-HB3 B 1.985 ambi=2 { CB:32.726 } ::sumAvg: 4.88 atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } atom: 12 2N-H N 8.463 ambi=1 { N:123.179 } ::sumAvg: 2.9 atom: 171 15T-HB B 3.835 ambi=1 { CB:71.682 } atom: 12 2N-H N 8.463 ambi=1 { N:123.179 } ::sumAvg: 4.67 atom: 4 1M-HG2 G 2.456 ambi=2 { CG:31.029 } atom: 12 2N-H N 8.463 ambi=1 { N:123.179 } :: atom: 5 1M-HG3 G 2.17 ambi=2 { CG:31.029 } atom: 12 2N-H N 8.463 ambi=1 { N:123.179 } ::sumAvg: 4.12 atom: 6 1M-HE E 2.011 ambi=1 { CE:16.794 } atom: 4 1M-HG2 G 2.456 ambi=2 { CG:31.029 } ::sumAvg: 2.405 atom: 4 1M-HG2 G 2.456 ambi=2 { CG:31.029 } atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } :: atom: 5 1M-HG3 G 2.17 ambi=2 { CG:31.029 } atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } ::sumAvg: 4.925 atom: 4 1M-HG2 G 2.456 ambi=2 { CG:31.029 } atom: 30 3Y-QE E 6.8 ambi=3 { CE1:117.91 } :: atom: 5 1M-HG3 G 2.17 ambi=2 { CG:31.029 } atom: 30 3Y-QE E 6.8 ambi=3 { CE1:117.91 } ::sumAvg: 3.54 atom: 4 1M-HG2 G 2.456 ambi=2 { CG:31.029 } atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } :: atom: 4 1M-HG2 G 2.456 ambi=2 { CG:31.029 } atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } :: atom: 5 1M-HG3 G 2.17 ambi=2 { CG:31.029 } atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } :: atom: 5 1M-HG3 G 2.17 ambi=2 { CG:31.029 } atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } ::sumAvg: 4.98 atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 4 1M-HG2 G 2.456 ambi=2 { CG:31.029 } :: atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } atom: 4 1M-HG2 G 2.456 ambi=2 { CG:31.029 } :: atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 5 1M-HG3 G 2.17 ambi=2 { CG:31.029 } :: atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } atom: 5 1M-HG3 G 2.17 ambi=2 { CG:31.029 } ::sumAvg: 4.98 atom: 6 1M-HE E 2.011 ambi=1 { CE:16.794 } atom: 12 2N-H N 8.463 ambi=1 { N:123.179 } ::sumAvg: 4.965 atom: 6 1M-HE E 2.011 ambi=1 { CE:16.794 } atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } :: atom: 6 1M-HE E 2.011 ambi=1 { CE:16.794 } atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } ::sumAvg: 4.66 atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 6 1M-HE E 2.011 ambi=1 { CE:16.794 } :: atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } atom: 6 1M-HE E 2.011 ambi=1 { CE:16.794 } ::sumAvg: 4.66 atom: 14 2N-HB2 B 2.632 ambi=2 { CB:39.376 } atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } :: atom: 15 2N-HB3 B 2.536 ambi=2 { CB:39.376 } atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } ::sumAvg: 4.455 atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } atom: 14 2N-HB2 B 2.632 ambi=2 { CB:39.376 } :: atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } atom: 15 2N-HB3 B 2.536 ambi=2 { CB:39.376 } ::sumAvg: 4.455 atom: 14 2N-HB2 B 2.632 ambi=2 { CB:39.376 } atom: 171 15T-HB B 3.835 ambi=1 { CB:71.682 } :: atom: 15 2N-HB3 B 2.536 ambi=2 { CB:39.376 } atom: 171 15T-HB B 3.835 ambi=1 { CB:71.682 } ::sumAvg: 4.24 atom: 171 15T-HB B 3.835 ambi=1 { CB:71.682 } atom: 14 2N-HB2 B 2.632 ambi=2 { CB:39.376 } :: atom: 171 15T-HB B 3.835 ambi=1 { CB:71.682 } atom: 15 2N-HB3 B 2.536 ambi=2 { CB:39.376 } ::sumAvg: 4.24 atom: 14 2N-HB2 B 2.632 ambi=2 { CB:39.376 } atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } :: atom: 15 2N-HB3 B 2.536 ambi=2 { CB:39.376 } atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } ::sumAvg: 4.565 atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } atom: 14 2N-HB2 B 2.632 ambi=2 { CB:39.376 } :: atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } atom: 15 2N-HB3 B 2.536 ambi=2 { CB:39.376 } ::sumAvg: 4.565 atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } :: atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } ::sumAvg: 4.56 atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } :: atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } ::sumAvg: 4.56 atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } atom: 16 2N-HD21 D2 7.476 ambi=1 { ND2:112.342 } :: atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } atom: 17 2N-HD22 D2 6.855 ambi=1 { ND2:112.342 } ::sumAvg: 4.285 atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } ::sumAvg: 4.43 atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } ::sumAvg: 4.43 atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } ::sumAvg: 4.02 atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } ::sumAvg: 3.62 atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } atom: 13 2N-HA A 5.267 ambi=1 { CA:52.632 } ::sumAvg: 3.62 atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } :: atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } :: atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } ::sumAvg: 4.89 atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } :: atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } :: atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } ::sumAvg: 4.89 atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 30 3Y-QE E 6.8 ambi=3 { CE1:117.91 } :: atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } atom: 30 3Y-QE E 6.8 ambi=3 { CE1:117.91 } ::sumAvg: 4.43 atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } :: atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } ::sumAvg: 4.515 atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } :: atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } ::sumAvg: 4.515 atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 81 7E-HB2 B 2.486 ambi=2 { CB:31.225 } :: atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 82 7E-HB3 B 2.262 ambi=2 { CB:31.225 } ::sumAvg: 3.215 atom: 81 7E-HB2 B 2.486 ambi=2 { CB:31.225 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } :: atom: 82 7E-HB3 B 2.262 ambi=2 { CB:31.225 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } ::sumAvg: 3.215 atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } :: atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } ::sumAvg: 4.65 atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } ::sumAvg: 4.97 atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } ::sumAvg: 4.97 atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 90 8L-H N 7.258 ambi=1 { N:116.521 } :: atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } atom: 90 8L-H N 7.258 ambi=1 { N:116.521 } ::sumAvg: 4.135 atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } :: atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } ::sumAvg: 3.8 atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } :: atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } ::sumAvg: 3.8 atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } ::sumAvg: 3.28 atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } ::sumAvg: 3.28 atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 146 12L-HD1 D1 0.708 ambi=2 { CD1:24.787 } :: atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 147 12L-HD2 D2 0.571 ambi=2 { CD2:24.811 } :: atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } atom: 146 12L-HD1 D1 0.708 ambi=2 { CD1:24.787 } :: atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } atom: 147 12L-HD2 D2 0.571 ambi=2 { CD2:24.811 } ::sumAvg: 3.69 atom: 146 12L-HD1 D1 0.708 ambi=2 { CD1:24.787 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } :: atom: 147 12L-HD2 D2 0.571 ambi=2 { CD2:24.811 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } :: atom: 146 12L-HD1 D1 0.708 ambi=2 { CD1:24.787 } atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } :: atom: 147 12L-HD2 D2 0.571 ambi=2 { CD2:24.811 } atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } ::sumAvg: 3.69 atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } :: atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } :: atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } :: atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } ::sumAvg: 4.58 atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } :: atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } :: atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } :: atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } ::sumAvg: 4.58 atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 169 15T-H N 8.296 ambi=1 { N:116.14 } :: atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } atom: 169 15T-H N 8.296 ambi=1 { N:116.14 } ::sumAvg: 4.4 atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } :: atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } ::sumAvg: 3.76 atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } :: atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } ::sumAvg: 3.76 atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 180 16I-HB B 1.903 ambi=1 { CB:41.625 } ::sumAvg: 4.52 atom: 180 16I-HB B 1.903 ambi=1 { CB:41.625 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } ::sumAvg: 4.52 atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 181 16I-HG12 G1 1.307 ambi=2 { CG1:26.197 } :: atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } atom: 182 16I-HG13 G1 1.065 ambi=2 { CG1:26.197 } :: atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } atom: 181 16I-HG12 G1 1.307 ambi=2 { CG1:26.197 } :: atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } atom: 182 16I-HG13 G1 1.065 ambi=2 { CG1:26.197 } ::sumAvg: 4.765 atom: 181 16I-HG12 G1 1.307 ambi=2 { CG1:26.197 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } :: atom: 182 16I-HG13 G1 1.065 ambi=2 { CG1:26.197 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } :: atom: 181 16I-HG12 G1 1.307 ambi=2 { CG1:26.197 } atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } :: atom: 182 16I-HG13 G1 1.065 ambi=2 { CG1:26.197 } atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } ::sumAvg: 4.765 atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } :: atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } :: atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } :: atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } ::sumAvg: 4.815 atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } atom: 24 3Y-H N 8.841 ambi=1 { N:120.086 } ::sumAvg: 2.945 atom: 171 15T-HB B 3.835 ambi=1 { CB:71.682 } atom: 24 3Y-H N 8.841 ambi=1 { N:120.086 } ::sumAvg: 4.075 atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } atom: 24 3Y-H N 8.841 ambi=1 { N:120.086 } ::sumAvg: 4.28 atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } atom: 24 3Y-H N 8.841 ambi=1 { N:120.086 } ::sumAvg: 3.08 atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } atom: 26 3Y-HB2 B 3.183 ambi=2 { CB:42.984 } :: atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } atom: 27 3Y-HB3 B 2.121 ambi=2 { CB:42.984 } ::sumAvg: 2.465 atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } :: atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } ::sumAvg: 4.66 atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } :: atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } ::sumAvg: 4.66 atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } ::sumAvg: 2.4 atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } atom: 30 3Y-QE E 6.8 ambi=3 { CE1:117.91 } ::sumAvg: 4.48 atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } atom: 40 4K-H N 8.789 ambi=1 { N:120.118 } ::sumAvg: 2.245 atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } atom: 44 4K-QG G 1.547 ambi=2 { CG:24.489 } ::sumAvg: 3.96 atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } atom: 81 7E-HB2 B 2.486 ambi=2 { CB:31.225 } :: atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } atom: 82 7E-HB3 B 2.262 ambi=2 { CB:31.225 } ::sumAvg: 3.925 atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } :: atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } ::sumAvg: 4.495 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 25 3Y-HA A 4.761 ambi=1 { CA:57.652 } ::sumAvg: 4.495 atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } :: atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } ::sumAvg: 4.895 atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } :: atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } ::sumAvg: 4.895 atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } ::sumAvg: 4.455 atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } atom: 48 4K-QE E 2.9995 ambi=2 { CE:42.17 } :: atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } atom: 48 4K-QE E 2.9995 ambi=2 { CE:42.17 } ::sumAvg: 3.02 atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } :: atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } ::sumAvg: 2.55 atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } atom: 73 6S-HB2 B 4.072 ambi=2 { CB:62.537 } :: atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } atom: 74 6S-HB3 B 3.731 ambi=2 { CB:62.537 } :: atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } atom: 73 6S-HB2 B 4.072 ambi=2 { CB:62.537 } :: atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } atom: 74 6S-HB3 B 3.731 ambi=2 { CB:62.537 } ::sumAvg: 4.455 atom: 73 6S-HB2 B 4.072 ambi=2 { CB:62.537 } atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } :: atom: 74 6S-HB3 B 3.731 ambi=2 { CB:62.537 } atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } :: atom: 73 6S-HB2 B 4.072 ambi=2 { CB:62.537 } atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } :: atom: 74 6S-HB3 B 3.731 ambi=2 { CB:62.537 } atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } ::sumAvg: 4.455 atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } atom: 60 5I-HG12 G1 1.703 ambi=2 { CG1:32.516 } :: atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } atom: 61 5I-HG13 G1 0.553 ambi=2 { CG1:32.516 } :: atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } atom: 61 5I-HG13 G1 0.553 ambi=2 { CG1:32.516 } ::sumAvg: 4.72 atom: 60 5I-HG12 G1 1.703 ambi=2 { CG1:32.516 } atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } :: atom: 61 5I-HG13 G1 0.553 ambi=2 { CG1:32.516 } atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } :: atom: 61 5I-HG13 G1 0.553 ambi=2 { CG1:32.516 } atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } ::sumAvg: 4.72 atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } :: atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } ::sumAvg: 3.12 atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } atom: 80 7E-HA A 4.254 ambi=1 { CA:56.032 } :: atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } atom: 80 7E-HA A 4.254 ambi=1 { CA:56.032 } ::sumAvg: 4.975 atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } atom: 81 7E-HB2 B 2.486 ambi=2 { CB:31.225 } :: atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } atom: 82 7E-HB3 B 2.262 ambi=2 { CB:31.225 } ::sumAvg: 2.99 atom: 81 7E-HB2 B 2.486 ambi=2 { CB:31.225 } atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } :: atom: 82 7E-HB3 B 2.262 ambi=2 { CB:31.225 } atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } ::sumAvg: 2.99 atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } :: atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } ::sumAvg: 3.1 atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } ::sumAvg: 2.26 atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } atom: 569 48T-H N 9.629 ambi=1 { N:111.625 } :: atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } atom: 569 48T-H N 9.629 ambi=1 { N:111.625 } ::sumAvg: 4.955 atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } :: atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } ::sumAvg: 3.375 atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } atom: 42 4K-HB2 B 2.407 ambi=2 { CB:32.017 } :: atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } atom: 43 4K-HB3 B 1.562 ambi=2 { CB:32.017 } ::sumAvg: 3.375 atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } ::sumAvg: 4.89 atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } ::sumAvg: 4.57 atom: 145 12L-HG G 1.47 ambi=1 { CG:26.428 } atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } ::sumAvg: 3.885 atom: 146 12L-HD1 D1 0.708 ambi=2 { CD1:24.787 } atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } :: atom: 147 12L-HD2 D2 0.571 ambi=2 { CD2:24.811 } atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } ::sumAvg: 3.15 atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } ::sumAvg: 4.885 atom: 183 16I-HG2 G2 0.776 ambi=1 { CG2:17.508 } atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } ::sumAvg: 4.565 atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } :: atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } atom: 28 3Y-QD D 6.917 ambi=3 { CD1:132.912 } ::sumAvg: 4.33 atom: 81 7E-HB2 B 2.486 ambi=2 { CB:31.225 } atom: 30 3Y-QE E 6.8 ambi=3 { CE1:117.91 } :: atom: 82 7E-HB3 B 2.262 ambi=2 { CB:31.225 } atom: 30 3Y-QE E 6.8 ambi=3 { CE1:117.91 } ::sumAvg: 4.995 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 30 3Y-QE E 6.8 ambi=3 { CE1:117.91 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 30 3Y-QE E 6.8 ambi=3 { CE1:117.91 } ::sumAvg: 4.4 atom: 145 12L-HG G 1.47 ambi=1 { CG:26.428 } atom: 30 3Y-QE E 6.8 ambi=3 { CE1:117.91 } ::sumAvg: 3.09 atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } atom: 40 4K-H N 8.789 ambi=1 { N:120.118 } ::sumAvg: 2.915 atom: 46 4K-HD2 D 1.798 ambi=2 { CD:27.93 } atom: 40 4K-H N 8.789 ambi=1 { N:120.118 } :: atom: 47 4K-HD3 D 1.609 ambi=2 { CD:27.93 } atom: 40 4K-H N 8.789 ambi=1 { N:120.118 } ::sumAvg: 4.11 atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } atom: 40 4K-H N 8.789 ambi=1 { N:120.118 } ::sumAvg: 3.405 atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } atom: 40 4K-H N 8.789 ambi=1 { N:120.118 } ::sumAvg: 4.73 atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } ::sumAvg: 4.22 atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } ::sumAvg: 4.22 atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } ::sumAvg: 4.79 atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } atom: 48 4K-QE E 2.9995 ambi=2 { CE:42.17 } ::sumAvg: 3.805 atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } ::sumAvg: 2.39 atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } atom: 60 5I-HG12 G1 1.703 ambi=2 { CG1:32.516 } :: atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } atom: 61 5I-HG13 G1 0.553 ambi=2 { CG1:32.516 } ::sumAvg: 3.865 atom: 60 5I-HG12 G1 1.703 ambi=2 { CG1:32.516 } atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } :: atom: 61 5I-HG13 G1 0.553 ambi=2 { CG1:32.516 } atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } ::sumAvg: 3.865 atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } ::sumAvg: 4.515 atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } atom: 81 7E-HB2 B 2.486 ambi=2 { CB:31.225 } :: atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } atom: 82 7E-HB3 B 2.262 ambi=2 { CB:31.225 } ::sumAvg: 4.465 atom: 81 7E-HB2 B 2.486 ambi=2 { CB:31.225 } atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } :: atom: 82 7E-HB3 B 2.262 ambi=2 { CB:31.225 } atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } ::sumAvg: 4.465 atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } ::sumAvg: 4.495 atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } ::sumAvg: 4.815 atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } ::sumAvg: 4.815 atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } :: atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } ::sumAvg: 4.85 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } ::sumAvg: 4.85 atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } ::sumAvg: 4.785 atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } ::sumAvg: 4.64 atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } ::sumAvg: 4.64 atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } atom: 183 16I-HG2 G2 0.776 ambi=1 { CG2:17.508 } ::sumAvg: 4.56 atom: 183 16I-HG2 G2 0.776 ambi=1 { CG2:17.508 } atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } ::sumAvg: 4.56 atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } atom: 192 17N-H N 8.962 ambi=1 { N:122.622 } ::sumAvg: 4.405 atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } ::sumAvg: 4.045 atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } atom: 41 4K-HA A 4.55 ambi=1 { CA:53.898 } ::sumAvg: 4.045 atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } atom: 72 6S-HA A 4.087 ambi=1 { CA:60.449 } ::sumAvg: 4.77 atom: 72 6S-HA A 4.087 ambi=1 { CA:60.449 } atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } ::sumAvg: 4.77 atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } ::sumAvg: 3.535 atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } ::sumAvg: 3.815 atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } atom: 92 8L-HB2 B 1.772 ambi=2 { CB:41.939 } :: atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } atom: 93 8L-HB3 B 0.956 ambi=2 { CB:41.939 } ::sumAvg: 3.35 atom: 92 8L-HB2 B 1.772 ambi=2 { CB:41.939 } atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } :: atom: 93 8L-HB3 B 0.956 ambi=2 { CB:41.939 } atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } ::sumAvg: 3.35 atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } atom: 183 16I-HG2 G2 0.776 ambi=1 { CG2:17.508 } ::sumAvg: 4.28 atom: 184 16I-HD1 D1 0.553 ambi=1 { CD1:14.331 } atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } ::sumAvg: 4.095 atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } ::sumAvg: 4.11 atom: 598 51I-HD1 D1 0.581 ambi=1 { CD1:15.949 } atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } ::sumAvg: 3.8 atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } :: atom: 969 83L-HD2 D2 0.611 ambi=2 { CD2:22.938 } atom: 58 5I-HA A 3.306 ambi=1 { CA:66.84 } ::sumAvg: 4.515 atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } atom: 72 6S-HA A 4.087 ambi=1 { CA:60.449 } ::sumAvg: 4.635 atom: 72 6S-HA A 4.087 ambi=1 { CA:60.449 } atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } ::sumAvg: 4.635 atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } atom: 73 6S-HB2 B 4.072 ambi=2 { CB:62.537 } :: atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } atom: 74 6S-HB3 B 3.731 ambi=2 { CB:62.537 } ::sumAvg: 4.775 atom: 73 6S-HB2 B 4.072 ambi=2 { CB:62.537 } atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } :: atom: 74 6S-HB3 B 3.731 ambi=2 { CB:62.537 } atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } ::sumAvg: 4.775 atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } ::sumAvg: 4.89 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } ::sumAvg: 4.445 atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } ::sumAvg: 4.945 atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } ::sumAvg: 4.945 atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } atom: 553 46D-H N 8.91 ambi=1 { N:126.536 } ::sumAvg: 4.615 atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } :: atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } atom: 556 46D-HB3 B 3.08 ambi=2 { CB:41.838 } ::sumAvg: 4.13 atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } atom: 569 48T-H N 9.629 ambi=1 { N:111.625 } ::sumAvg: 4.22 atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } ::sumAvg: 4.175 atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } ::sumAvg: 4.175 atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } ::sumAvg: 4.66 atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } ::sumAvg: 3.65 atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } ::sumAvg: 3.27 atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } ::sumAvg: 3.27 atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } atom: 584 50S-H N 8.255 ambi=1 { N:111.88 } ::sumAvg: 4.745 atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } ::sumAvg: 4.75 atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } ::sumAvg: 4.75 atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } atom: 59 5I-HB B 1.636 ambi=1 { CB:36.598 } ::sumAvg: 4.53 atom: 44 4K-QG G 1.547 ambi=2 { CG:24.489 } atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } ::sumAvg: 4.005 atom: 44 4K-QG G 1.547 ambi=2 { CG:24.489 } atom: 81 7E-HB2 B 2.486 ambi=2 { CB:31.225 } :: atom: 44 4K-QG G 1.547 ambi=2 { CG:24.489 } atom: 82 7E-HB3 B 2.262 ambi=2 { CB:31.225 } ::sumAvg: 4.32 atom: 81 7E-HB2 B 2.486 ambi=2 { CB:31.225 } atom: 44 4K-QG G 1.547 ambi=2 { CG:24.489 } :: atom: 82 7E-HB3 B 2.262 ambi=2 { CB:31.225 } atom: 44 4K-QG G 1.547 ambi=2 { CG:24.489 } ::sumAvg: 4.32 atom: 44 4K-QG G 1.547 ambi=2 { CG:24.489 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } ::sumAvg: 4.925 atom: 44 4K-QG G 1.547 ambi=2 { CG:24.489 } atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } ::sumAvg: 3.84 atom: 44 4K-QG G 1.547 ambi=2 { CG:24.489 } atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } ::sumAvg: 4.905 atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } atom: 44 4K-QG G 1.547 ambi=2 { CG:24.489 } ::sumAvg: 4.905 atom: 44 4K-QG G 1.547 ambi=2 { CG:24.489 } atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } ::sumAvg: 3.06 atom: 46 4K-HD2 D 1.798 ambi=2 { CD:27.93 } atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } :: atom: 47 4K-HD3 D 1.609 ambi=2 { CD:27.93 } atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } ::sumAvg: 4.575 atom: 46 4K-HD2 D 1.798 ambi=2 { CD:27.93 } atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } :: atom: 47 4K-HD3 D 1.609 ambi=2 { CD:27.93 } atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } ::sumAvg: 4.235 atom: 46 4K-HD2 D 1.798 ambi=2 { CD:27.93 } atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } :: atom: 47 4K-HD3 D 1.609 ambi=2 { CD:27.93 } atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } ::sumAvg: 4.76 atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } atom: 46 4K-HD2 D 1.798 ambi=2 { CD:27.93 } :: atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } atom: 47 4K-HD3 D 1.609 ambi=2 { CD:27.93 } ::sumAvg: 4.76 atom: 48 4K-QE E 2.9995 ambi=2 { CE:42.17 } atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } ::sumAvg: 4.53 atom: 48 4K-QE E 2.9995 ambi=2 { CE:42.17 } atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } ::sumAvg: 4.915 atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } atom: 48 4K-QE E 2.9995 ambi=2 { CE:42.17 } ::sumAvg: 4.915 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } ::sumAvg: 4.355 atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } ::sumAvg: 4.395 atom: 184 16I-HD1 D1 0.553 ambi=1 { CD1:14.331 } atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } ::sumAvg: 4.86 atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } :: atom: 556 46D-HB3 B 3.08 ambi=2 { CB:41.838 } atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } ::sumAvg: 4.47 atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } ::sumAvg: 3.96 atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } atom: 57 5I-H N 10.387 ambi=1 { N:126.013 } ::sumAvg: 3.985 atom: 72 6S-HA A 4.087 ambi=1 { CA:60.449 } atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } ::sumAvg: 4.98 atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } atom: 72 6S-HA A 4.087 ambi=1 { CA:60.449 } ::sumAvg: 4.98 atom: 72 6S-HA A 4.087 ambi=1 { CA:60.449 } atom: 92 8L-HB2 B 1.772 ambi=2 { CB:41.939 } :: atom: 72 6S-HA A 4.087 ambi=1 { CA:60.449 } atom: 93 8L-HB3 B 0.956 ambi=2 { CB:41.939 } ::sumAvg: 4.725 atom: 92 8L-HB2 B 1.772 ambi=2 { CB:41.939 } atom: 72 6S-HA A 4.087 ambi=1 { CA:60.449 } :: atom: 93 8L-HB3 B 0.956 ambi=2 { CB:41.939 } atom: 72 6S-HA A 4.087 ambi=1 { CA:60.449 } ::sumAvg: 4.725 atom: 72 6S-HA A 4.087 ambi=1 { CA:60.449 } atom: 90 8L-H N 7.258 ambi=1 { N:116.521 } ::sumAvg: 3.81 atom: 72 6S-HA A 4.087 ambi=1 { CA:60.449 } atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } :: atom: 72 6S-HA A 4.087 ambi=1 { CA:60.449 } atom: 969 83L-HD2 D2 0.611 ambi=2 { CD2:22.938 } ::sumAvg: 4.495 atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } atom: 72 6S-HA A 4.087 ambi=1 { CA:60.449 } :: atom: 969 83L-HD2 D2 0.611 ambi=2 { CD2:22.938 } atom: 72 6S-HA A 4.087 ambi=1 { CA:60.449 } ::sumAvg: 4.495 atom: 74 6S-HB3 B 3.731 ambi=2 { CB:62.537 } atom: 80 7E-HA A 4.254 ambi=1 { CA:56.032 } ::sumAvg: 4.64 atom: 80 7E-HA A 4.254 ambi=1 { CA:56.032 } atom: 74 6S-HB3 B 3.731 ambi=2 { CB:62.537 } ::sumAvg: 4.64 atom: 73 6S-HB2 B 4.072 ambi=2 { CB:62.537 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } :: atom: 74 6S-HB3 B 3.731 ambi=2 { CB:62.537 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } ::sumAvg: 3.605 atom: 73 6S-HB2 B 4.072 ambi=2 { CB:62.537 } atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } :: atom: 74 6S-HB3 B 3.731 ambi=2 { CB:62.537 } atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } ::sumAvg: 3.965 atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } atom: 73 6S-HB2 B 4.072 ambi=2 { CB:62.537 } :: atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } atom: 74 6S-HB3 B 3.731 ambi=2 { CB:62.537 } ::sumAvg: 3.965 atom: 73 6S-HB2 B 4.072 ambi=2 { CB:62.537 } atom: 570 48T-HA A 4.655 ambi=1 { CA:62.095 } :: atom: 74 6S-HB3 B 3.731 ambi=2 { CB:62.537 } atom: 570 48T-HA A 4.655 ambi=1 { CA:62.095 } ::sumAvg: 3.81 atom: 570 48T-HA A 4.655 ambi=1 { CA:62.095 } atom: 73 6S-HB2 B 4.072 ambi=2 { CB:62.537 } :: atom: 570 48T-HA A 4.655 ambi=1 { CA:62.095 } atom: 74 6S-HB3 B 3.731 ambi=2 { CB:62.537 } ::sumAvg: 3.81 atom: 73 6S-HB2 B 4.072 ambi=2 { CB:62.537 } atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } :: atom: 74 6S-HB3 B 3.731 ambi=2 { CB:62.537 } atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } ::sumAvg: 4.345 atom: 60 5I-HG12 G1 1.703 ambi=2 { CG1:32.516 } atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } :: atom: 61 5I-HG13 G1 0.553 ambi=2 { CG1:32.516 } atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } ::sumAvg: 4.46 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 60 5I-HG12 G1 1.703 ambi=2 { CG1:32.516 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 60 5I-HG12 G1 1.703 ambi=2 { CG1:32.516 } ::sumAvg: 2.765 atom: 61 5I-HG13 G1 0.553 ambi=2 { CG1:32.516 } atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } ::sumAvg: 4.585 atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } atom: 61 5I-HG13 G1 0.553 ambi=2 { CG1:32.516 } ::sumAvg: 4.585 atom: 61 5I-HG13 G1 0.553 ambi=2 { CG1:32.516 } atom: 180 16I-HB B 1.903 ambi=1 { CB:41.625 } ::sumAvg: 4.675 atom: 60 5I-HG12 G1 1.703 ambi=2 { CG1:32.516 } atom: 182 16I-HG13 G1 1.065 ambi=2 { CG1:26.197 } :: atom: 61 5I-HG13 G1 0.553 ambi=2 { CG1:32.516 } atom: 181 16I-HG12 G1 1.307 ambi=2 { CG1:26.197 } :: atom: 61 5I-HG13 G1 0.553 ambi=2 { CG1:32.516 } atom: 182 16I-HG13 G1 1.065 ambi=2 { CG1:26.197 } ::sumAvg: 4.745 atom: 60 5I-HG12 G1 1.703 ambi=2 { CG1:32.516 } atom: 183 16I-HG2 G2 0.776 ambi=1 { CG2:17.508 } ::sumAvg: 3.895 atom: 184 16I-HD1 D1 0.553 ambi=1 { CD1:14.331 } atom: 60 5I-HG12 G1 1.703 ambi=2 { CG1:32.516 } ::sumAvg: 3.095 atom: 60 5I-HG12 G1 1.703 ambi=2 { CG1:32.516 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } :: atom: 61 5I-HG13 G1 0.553 ambi=2 { CG1:32.516 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } ::sumAvg: 3.43 atom: 60 5I-HG12 G1 1.703 ambi=2 { CG1:32.516 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } :: atom: 61 5I-HG13 G1 0.553 ambi=2 { CG1:32.516 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } ::sumAvg: 4.93 atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } atom: 60 5I-HG12 G1 1.703 ambi=2 { CG1:32.516 } :: atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } atom: 61 5I-HG13 G1 0.553 ambi=2 { CG1:32.516 } ::sumAvg: 4.93 atom: 61 5I-HG13 G1 0.553 ambi=2 { CG1:32.516 } atom: 594 51I-HB B 1.581 ambi=1 { CB:41.997 } ::sumAvg: 3.45 atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } atom: 60 5I-HG12 G1 1.703 ambi=2 { CG1:32.516 } ::sumAvg: 2.52 atom: 73 6S-HB2 B 4.072 ambi=2 { CB:62.537 } atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } :: atom: 74 6S-HB3 B 3.731 ambi=2 { CB:62.537 } atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } ::sumAvg: 4.525 atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } ::sumAvg: 4.575 atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } atom: 92 8L-HB2 B 1.772 ambi=2 { CB:41.939 } :: atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } atom: 93 8L-HB3 B 0.956 ambi=2 { CB:41.939 } ::sumAvg: 3.7 atom: 92 8L-HB2 B 1.772 ambi=2 { CB:41.939 } atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } :: atom: 93 8L-HB3 B 0.956 ambi=2 { CB:41.939 } atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } ::sumAvg: 3.7 atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } atom: 90 8L-H N 7.258 ambi=1 { N:116.521 } ::sumAvg: 4.35 atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } ::sumAvg: 4.295 atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } ::sumAvg: 4.295 atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } atom: 537 45K-HA A 5.247 ambi=1 { CA:55.625 } ::sumAvg: 4.5 atom: 537 45K-HA A 5.247 ambi=1 { CA:55.625 } atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } ::sumAvg: 4.5 atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } :: atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } atom: 556 46D-HB3 B 3.08 ambi=2 { CB:41.838 } ::sumAvg: 4.99 atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } :: atom: 556 46D-HB3 B 3.08 ambi=2 { CB:41.838 } atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } ::sumAvg: 4.99 atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } ::sumAvg: 4.84 atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } ::sumAvg: 4.84 atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } ::sumAvg: 4.095 atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } ::sumAvg: 4.32 atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } ::sumAvg: 4.02 atom: 965 83L-HB2 B 1.752 ambi=2 { CB:42.773 } atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } :: atom: 966 83L-HB3 B 1.146 ambi=2 { CB:42.773 } atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } ::sumAvg: 4.15 atom: 967 83L-HG G 1.688 ambi=1 { CG:26.613 } atom: 62 5I-HG2 G2 0.49 ambi=1 { CG2:17.612 } ::sumAvg: 4.93 atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } ::sumAvg: 4.705 atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } ::sumAvg: 4.05 atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } atom: 180 16I-HB B 1.903 ambi=1 { CB:41.625 } ::sumAvg: 4.945 atom: 180 16I-HB B 1.903 ambi=1 { CB:41.625 } atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } ::sumAvg: 4.945 atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } ::sumAvg: 4.36 atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } ::sumAvg: 4.36 atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } ::sumAvg: 4.715 atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } ::sumAvg: 4.985 atom: 538 45K-HB2 B 1.777 ambi=2 { CB:37.681 } atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } :: atom: 539 45K-HB3 B 1.588 ambi=2 { CB:37.681 } atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } ::sumAvg: 4.84 atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } atom: 540 45K-HG2 G 1.392 ambi=2 { CG:24.31 } :: atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } atom: 541 45K-HG3 G 1.358 ambi=2 { CG:24.31 } ::sumAvg: 4.305 atom: 540 45K-HG2 G 1.392 ambi=2 { CG:24.31 } atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } :: atom: 541 45K-HG3 G 1.358 ambi=2 { CG:24.31 } atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } ::sumAvg: 4.305 atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } ::sumAvg: 4.155 atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } ::sumAvg: 4.155 atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } atom: 561 47D-H N 8.995 ambi=1 { N:114.512 } ::sumAvg: 4.94 atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } atom: 569 48T-H N 9.629 ambi=1 { N:111.625 } ::sumAvg: 4.09 atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } ::sumAvg: 3.445 atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } ::sumAvg: 3.635 atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } ::sumAvg: 3.635 atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } atom: 584 50S-H N 8.255 ambi=1 { N:111.88 } ::sumAvg: 3.64 atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } ::sumAvg: 3.95 atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } ::sumAvg: 4.54 atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } ::sumAvg: 4.54 atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } atom: 594 51I-HB B 1.581 ambi=1 { CB:41.997 } ::sumAvg: 3.51 atom: 594 51I-HB B 1.581 ambi=1 { CB:41.997 } atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } ::sumAvg: 3.51 atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } :: atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } atom: 63 5I-HD1 D1 0.666 ambi=1 { CD1:13.853 } ::sumAvg: 3.905 atom: 81 7E-HB2 B 2.486 ambi=2 { CB:31.225 } atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } :: atom: 82 7E-HB3 B 2.262 ambi=2 { CB:31.225 } atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } ::sumAvg: 4.78 atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } ::sumAvg: 4.05 atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } ::sumAvg: 4.95 atom: 570 48T-HA A 4.655 ambi=1 { CA:62.095 } atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } ::sumAvg: 4.64 atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } atom: 71 6S-H N 8.986 ambi=1 { N:115.336 } ::sumAvg: 4.165 atom: 80 7E-HA A 4.254 ambi=1 { CA:56.032 } atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } ::sumAvg: 4.715 atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } atom: 80 7E-HA A 4.254 ambi=1 { CA:56.032 } ::sumAvg: 4.715 atom: 81 7E-HB2 B 2.486 ambi=2 { CB:31.225 } atom: 90 8L-H N 7.258 ambi=1 { N:116.521 } :: atom: 82 7E-HB3 B 2.262 ambi=2 { CB:31.225 } atom: 90 8L-H N 7.258 ambi=1 { N:116.521 } ::sumAvg: 3.44 atom: 81 7E-HB2 B 2.486 ambi=2 { CB:31.225 } atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } :: atom: 82 7E-HB3 B 2.262 ambi=2 { CB:31.225 } atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } ::sumAvg: 4.5 atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } atom: 81 7E-HB2 B 2.486 ambi=2 { CB:31.225 } :: atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } atom: 82 7E-HB3 B 2.262 ambi=2 { CB:31.225 } ::sumAvg: 4.5 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 81 7E-HB2 B 2.486 ambi=2 { CB:31.225 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 81 7E-HB2 B 2.486 ambi=2 { CB:31.225 } :: atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 82 7E-HB3 B 2.262 ambi=2 { CB:31.225 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 82 7E-HB3 B 2.262 ambi=2 { CB:31.225 } ::sumAvg: 4.125 atom: 81 7E-HB2 B 2.486 ambi=2 { CB:31.225 } atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } :: atom: 82 7E-HB3 B 2.262 ambi=2 { CB:31.225 } atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } ::sumAvg: 4.105 atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } atom: 81 7E-HB2 B 2.486 ambi=2 { CB:31.225 } :: atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } atom: 82 7E-HB3 B 2.262 ambi=2 { CB:31.225 } ::sumAvg: 4.105 atom: 92 8L-HB2 B 1.772 ambi=2 { CB:41.939 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } :: atom: 93 8L-HB3 B 0.956 ambi=2 { CB:41.939 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } ::sumAvg: 4.45 atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } ::sumAvg: 4.865 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } ::sumAvg: 4.575 atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } ::sumAvg: 3.63 atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } ::sumAvg: 4.7 atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } atom: 79 7E-H N 7.79 ambi=1 { N:120.53 } ::sumAvg: 4.89 atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } atom: 90 8L-H N 7.258 ambi=1 { N:116.521 } ::sumAvg: 4.325 atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } ::sumAvg: 4.875 atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } ::sumAvg: 4.875 atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } ::sumAvg: 4.305 atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } atom: 83 7E-QG G 2.286 ambi=2 { CG:37.223 } ::sumAvg: 4.305 atom: 92 8L-HB2 B 1.772 ambi=2 { CB:41.939 } atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } :: atom: 93 8L-HB3 B 0.956 ambi=2 { CB:41.939 } atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } ::sumAvg: 4.395 atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 92 8L-HB2 B 1.772 ambi=2 { CB:41.939 } :: atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 93 8L-HB3 B 0.956 ambi=2 { CB:41.939 } ::sumAvg: 4.395 atom: 93 8L-HB3 B 0.956 ambi=2 { CB:41.939 } atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } :: atom: 93 8L-HB3 B 0.956 ambi=2 { CB:41.939 } atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } ::sumAvg: 4.425 atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } atom: 93 8L-HB3 B 0.956 ambi=2 { CB:41.939 } :: atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } atom: 93 8L-HB3 B 0.956 ambi=2 { CB:41.939 } ::sumAvg: 4.425 atom: 146 12L-HD1 D1 0.708 ambi=2 { CD1:24.787 } atom: 92 8L-HB2 B 1.772 ambi=2 { CB:41.939 } :: atom: 147 12L-HD2 D2 0.571 ambi=2 { CD2:24.811 } atom: 92 8L-HB2 B 1.772 ambi=2 { CB:41.939 } ::sumAvg: 3.39 atom: 92 8L-HB2 B 1.772 ambi=2 { CB:41.939 } atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } :: atom: 93 8L-HB3 B 0.956 ambi=2 { CB:41.939 } atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } ::sumAvg: 3.82 atom: 93 8L-HB3 B 0.956 ambi=2 { CB:41.939 } atom: 967 83L-HG G 1.688 ambi=1 { CG:26.613 } ::sumAvg: 4.025 atom: 967 83L-HG G 1.688 ambi=1 { CG:26.613 } atom: 93 8L-HB3 B 0.956 ambi=2 { CB:41.939 } ::sumAvg: 4.025 atom: 146 12L-HD1 D1 0.708 ambi=2 { CD1:24.787 } atom: 90 8L-H N 7.258 ambi=1 { N:116.521 } :: atom: 147 12L-HD2 D2 0.571 ambi=2 { CD2:24.811 } atom: 90 8L-H N 7.258 ambi=1 { N:116.521 } ::sumAvg: 4.5 atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } atom: 90 8L-H N 7.258 ambi=1 { N:116.521 } :: atom: 969 83L-HD2 D2 0.611 ambi=2 { CD2:22.938 } atom: 90 8L-H N 7.258 ambi=1 { N:116.521 } ::sumAvg: 4.575 atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } ::sumAvg: 4.485 atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } ::sumAvg: 4.485 atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } atom: 106 9M-HB2 B 2.047 ambi=2 { CB:34.417 } :: atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } atom: 107 9M-HB3 B 1.691 ambi=2 { CB:34.417 } ::sumAvg: 4.41 atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } atom: 108 9M-HG2 G 2.47 ambi=2 { CG:31.409 } :: atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } atom: 109 9M-HG3 G 2.399 ambi=2 { CG:31.409 } ::sumAvg: 3.505 atom: 108 9M-HG2 G 2.47 ambi=2 { CG:31.409 } atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } :: atom: 109 9M-HG3 G 2.399 ambi=2 { CG:31.409 } atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } ::sumAvg: 3.505 atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } :: atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } ::sumAvg: 4.11 atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } :: atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } ::sumAvg: 4.11 atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } atom: 145 12L-HG G 1.47 ambi=1 { CG:26.428 } ::sumAvg: 4.66 atom: 145 12L-HG G 1.47 ambi=1 { CG:26.428 } atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } ::sumAvg: 4.66 atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } :: atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } atom: 91 8L-HA A 3.595 ambi=1 { CA:55.412 } ::sumAvg: 3.62 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 108 9M-HG2 G 2.47 ambi=2 { CG:31.409 } :: atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 109 9M-HG3 G 2.399 ambi=2 { CG:31.409 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 108 9M-HG2 G 2.47 ambi=2 { CG:31.409 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 109 9M-HG3 G 2.399 ambi=2 { CG:31.409 } ::sumAvg: 4.835 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } :: atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } ::sumAvg: 3.785 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 145 12L-HG G 1.47 ambi=1 { CG:26.428 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 145 12L-HG G 1.47 ambi=1 { CG:26.428 } ::sumAvg: 3.59 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } :: atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } ::sumAvg: 4.32 atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } :: atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } :: atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } :: atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } ::sumAvg: 4.32 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 169 15T-H N 8.296 ambi=1 { N:116.14 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 169 15T-H N 8.296 ambi=1 { N:116.14 } ::sumAvg: 4.9 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } ::sumAvg: 4.285 atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } :: atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } ::sumAvg: 4.285 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 180 16I-HB B 1.903 ambi=1 { CB:41.625 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 180 16I-HB B 1.903 ambi=1 { CB:41.625 } ::sumAvg: 3.25 atom: 180 16I-HB B 1.903 ambi=1 { CB:41.625 } atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } :: atom: 180 16I-HB B 1.903 ambi=1 { CB:41.625 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } ::sumAvg: 3.25 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 181 16I-HG12 G1 1.307 ambi=2 { CG1:26.197 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 181 16I-HG12 G1 1.307 ambi=2 { CG1:26.197 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 182 16I-HG13 G1 1.065 ambi=2 { CG1:26.197 } ::sumAvg: 3.37 atom: 181 16I-HG12 G1 1.307 ambi=2 { CG1:26.197 } atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } :: atom: 181 16I-HG12 G1 1.307 ambi=2 { CG1:26.197 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } :: atom: 182 16I-HG13 G1 1.065 ambi=2 { CG1:26.197 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } ::sumAvg: 3.37 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 594 51I-HB B 1.581 ambi=1 { CB:41.997 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 594 51I-HB B 1.581 ambi=1 { CB:41.997 } ::sumAvg: 3.605 atom: 594 51I-HB B 1.581 ambi=1 { CB:41.997 } atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } :: atom: 594 51I-HB B 1.581 ambi=1 { CB:41.997 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } ::sumAvg: 3.605 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } :: atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } ::sumAvg: 4.12 atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } :: atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } :: atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } :: atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } ::sumAvg: 4.12 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } ::sumAvg: 4.68 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } ::sumAvg: 4.945 atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } :: atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } ::sumAvg: 4.945 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } ::sumAvg: 3.365 atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } :: atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } ::sumAvg: 3.365 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 967 83L-HG G 1.688 ambi=1 { CG:26.613 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 967 83L-HG G 1.688 ambi=1 { CG:26.613 } ::sumAvg: 4.235 atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } ::sumAvg: 3.18 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 990 85I-HB B 1.396 ambi=1 { CB:41.988 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 990 85I-HB B 1.396 ambi=1 { CB:41.988 } ::sumAvg: 4.465 atom: 95 8L-HD1 D1 0.681 ambi=2 { CD1:26.66 } atom: 991 85I-HG12 G1 1.368 ambi=2 { CG1:28.708 } :: atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } atom: 991 85I-HG12 G1 1.368 ambi=2 { CG1:28.708 } ::sumAvg: 4.22 atom: 993 85I-HG2 G2 0.723 ambi=1 { CG2:15.639 } atom: 96 8L-HD2 D2 0.24 ambi=2 { CD2:21.357 } ::sumAvg: 4.325 atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } atom: 104 9M-H N 6.468 ambi=1 { N:116.45 } ::sumAvg: 4.895 atom: 146 12L-HD1 D1 0.708 ambi=2 { CD1:24.787 } atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } :: atom: 147 12L-HD2 D2 0.571 ambi=2 { CD2:24.811 } atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } ::sumAvg: 4.335 atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } atom: 183 16I-HG2 G2 0.776 ambi=1 { CG2:17.508 } ::sumAvg: 4.17 atom: 183 16I-HG2 G2 0.776 ambi=1 { CG2:17.508 } atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } ::sumAvg: 4.17 atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } atom: 184 16I-HD1 D1 0.553 ambi=1 { CD1:14.331 } ::sumAvg: 4.7 atom: 184 16I-HD1 D1 0.553 ambi=1 { CD1:14.331 } atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } ::sumAvg: 4.7 atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } atom: 598 51I-HD1 D1 0.581 ambi=1 { CD1:15.949 } ::sumAvg: 4.345 atom: 598 51I-HD1 D1 0.581 ambi=1 { CD1:15.949 } atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } ::sumAvg: 4.345 atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } :: atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } ::sumAvg: 4.245 atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } :: atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } atom: 94 8L-HG G 1.839 ambi=1 { CG:25.764 } ::sumAvg: 4.245 atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 104 9M-H N 6.468 ambi=1 { N:116.45 } ::sumAvg: 2.9 atom: 110 9M-HE E 2.084 ambi=1 { CE:17.197 } atom: 104 9M-H N 6.468 ambi=1 { N:116.45 } ::sumAvg: 4.33 atom: 122 10P-HD2 D 3.695 ambi=2 { CD:50.234 } atom: 104 9M-H N 6.468 ambi=1 { N:116.45 } :: atom: 123 10P-HD3 D 3.572 ambi=2 { CD:50.234 } atom: 104 9M-H N 6.468 ambi=1 { N:116.45 } ::sumAvg: 4.755 atom: 145 12L-HG G 1.47 ambi=1 { CG:26.428 } atom: 104 9M-H N 6.468 ambi=1 { N:116.45 } ::sumAvg: 4.345 atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } atom: 104 9M-H N 6.468 ambi=1 { N:116.45 } ::sumAvg: 4.53 atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } atom: 104 9M-H N 6.468 ambi=1 { N:116.45 } :: atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } atom: 104 9M-H N 6.468 ambi=1 { N:116.45 } ::sumAvg: 3.32 atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } atom: 104 9M-H N 6.468 ambi=1 { N:116.45 } :: atom: 969 83L-HD2 D2 0.611 ambi=2 { CD2:22.938 } atom: 104 9M-H N 6.468 ambi=1 { N:116.45 } ::sumAvg: 4.41 atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 106 9M-HB2 B 2.047 ambi=2 { CB:34.417 } :: atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 107 9M-HB3 B 1.691 ambi=2 { CB:34.417 } ::sumAvg: 2.4 atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 108 9M-HG2 G 2.47 ambi=2 { CG:31.409 } :: atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 109 9M-HG3 G 2.399 ambi=2 { CG:31.409 } ::sumAvg: 3.135 atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 110 9M-HE E 2.084 ambi=1 { CE:17.197 } ::sumAvg: 4.235 atom: 110 9M-HE E 2.084 ambi=1 { CE:17.197 } atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } ::sumAvg: 4.235 atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } ::sumAvg: 4.465 atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 120 10P-HG2 G 2.145 ambi=2 { CG:28.056 } :: atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 121 10P-HG3 G 1.737 ambi=2 { CG:28.056 } ::sumAvg: 4.45 atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 122 10P-HD2 D 3.695 ambi=2 { CD:50.234 } :: atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 123 10P-HD3 D 3.572 ambi=2 { CD:50.234 } ::sumAvg: 2.275 atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } :: atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } ::sumAvg: 4.985 atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } :: atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } ::sumAvg: 4.985 atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 146 12L-HD1 D1 0.708 ambi=2 { CD1:24.787 } :: atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 147 12L-HD2 D2 0.571 ambi=2 { CD2:24.811 } ::sumAvg: 4.45 atom: 146 12L-HD1 D1 0.708 ambi=2 { CD1:24.787 } atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } :: atom: 147 12L-HD2 D2 0.571 ambi=2 { CD2:24.811 } atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } ::sumAvg: 4.45 atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } :: atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } ::sumAvg: 4.305 atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } :: atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } ::sumAvg: 4.305 atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } :: atom: 105 9M-HA A 4.734 ambi=1 { CA:52.425 } atom: 969 83L-HD2 D2 0.611 ambi=2 { CD2:22.938 } ::sumAvg: 3.415 atom: 106 9M-HB2 B 2.047 ambi=2 { CB:34.417 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } :: atom: 107 9M-HB3 B 1.691 ambi=2 { CB:34.417 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } ::sumAvg: 4.925 atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } atom: 106 9M-HB2 B 2.047 ambi=2 { CB:34.417 } :: atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } atom: 107 9M-HB3 B 1.691 ambi=2 { CB:34.417 } ::sumAvg: 4.925 atom: 107 9M-HB3 B 1.691 ambi=2 { CB:34.417 } atom: 118 10P-HB2 B 2.153 ambi=2 { CB:31.982 } ::sumAvg: 4.935 atom: 107 9M-HB3 B 1.691 ambi=2 { CB:34.417 } atom: 120 10P-HG2 G 2.145 ambi=2 { CG:28.056 } ::sumAvg: 4.105 atom: 106 9M-HB2 B 2.047 ambi=2 { CB:34.417 } atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } :: atom: 106 9M-HB2 B 2.047 ambi=2 { CB:34.417 } atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } ::sumAvg: 3.835 atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } atom: 106 9M-HB2 B 2.047 ambi=2 { CB:34.417 } :: atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } atom: 106 9M-HB2 B 2.047 ambi=2 { CB:34.417 } ::sumAvg: 3.835 atom: 108 9M-HG2 G 2.47 ambi=2 { CG:31.409 } atom: 122 10P-HD2 D 3.695 ambi=2 { CD:50.234 } :: atom: 108 9M-HG2 G 2.47 ambi=2 { CG:31.409 } atom: 123 10P-HD3 D 3.572 ambi=2 { CD:50.234 } :: atom: 109 9M-HG3 G 2.399 ambi=2 { CG:31.409 } atom: 122 10P-HD2 D 3.695 ambi=2 { CD:50.234 } :: atom: 109 9M-HG3 G 2.399 ambi=2 { CG:31.409 } atom: 123 10P-HD3 D 3.572 ambi=2 { CD:50.234 } ::sumAvg: 3.885 atom: 122 10P-HD2 D 3.695 ambi=2 { CD:50.234 } atom: 108 9M-HG2 G 2.47 ambi=2 { CG:31.409 } :: atom: 123 10P-HD3 D 3.572 ambi=2 { CD:50.234 } atom: 108 9M-HG2 G 2.47 ambi=2 { CG:31.409 } :: atom: 122 10P-HD2 D 3.695 ambi=2 { CD:50.234 } atom: 109 9M-HG3 G 2.399 ambi=2 { CG:31.409 } :: atom: 123 10P-HD3 D 3.572 ambi=2 { CD:50.234 } atom: 109 9M-HG3 G 2.399 ambi=2 { CG:31.409 } ::sumAvg: 3.885 atom: 108 9M-HG2 G 2.47 ambi=2 { CG:31.409 } atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } :: atom: 108 9M-HG2 G 2.47 ambi=2 { CG:31.409 } atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } :: atom: 109 9M-HG3 G 2.399 ambi=2 { CG:31.409 } atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } :: atom: 109 9M-HG3 G 2.399 ambi=2 { CG:31.409 } atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } ::sumAvg: 3.65 atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } atom: 108 9M-HG2 G 2.47 ambi=2 { CG:31.409 } :: atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } atom: 108 9M-HG2 G 2.47 ambi=2 { CG:31.409 } :: atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } atom: 109 9M-HG3 G 2.399 ambi=2 { CG:31.409 } :: atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } atom: 109 9M-HG3 G 2.399 ambi=2 { CG:31.409 } ::sumAvg: 3.65 atom: 110 9M-HE E 2.084 ambi=1 { CE:17.197 } atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } :: atom: 110 9M-HE E 2.084 ambi=1 { CE:17.197 } atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } ::sumAvg: 4.23 atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } atom: 110 9M-HE E 2.084 ambi=1 { CE:17.197 } :: atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } atom: 110 9M-HE E 2.084 ambi=1 { CE:17.197 } ::sumAvg: 4.23 atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } atom: 130 11N-HA A 4.203 ambi=1 { CA:54.925 } ::sumAvg: 4.385 atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } atom: 131 11N-HB2 B 3.181 ambi=2 { CB:36.745 } :: atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } atom: 132 11N-HB3 B 3.117 ambi=2 { CB:36.745 } ::sumAvg: 4.815 atom: 131 11N-HB2 B 3.181 ambi=2 { CB:36.745 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } :: atom: 132 11N-HB3 B 3.117 ambi=2 { CB:36.745 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } ::sumAvg: 4.815 atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } :: atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } ::sumAvg: 4.995 atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } :: atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } ::sumAvg: 4.995 atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } ::sumAvg: 4.66 atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } ::sumAvg: 2.685 atom: 897 77K-HB2 B 1.851 ambi=2 { CB:36.13 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } :: atom: 898 77K-HB3 B 1.777 ambi=2 { CB:36.13 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } ::sumAvg: 4.255 atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } atom: 899 77K-HG2 G 1.511 ambi=2 { CG:24.243 } :: atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } atom: 900 77K-HG3 G 1.342 ambi=2 { CG:24.243 } ::sumAvg: 4.245 atom: 899 77K-HG2 G 1.511 ambi=2 { CG:24.243 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } :: atom: 900 77K-HG3 G 1.342 ambi=2 { CG:24.243 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } ::sumAvg: 4.245 atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } ::sumAvg: 4.89 atom: 914 78Q-HB2 B 2.074 ambi=2 { CB:29.19 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } :: atom: 915 78Q-HB3 B 1.854 ambi=2 { CB:29.19 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } ::sumAvg: 3.795 atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } atom: 916 78Q-HG2 G 2.335 ambi=2 { CG:33.511 } :: atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } atom: 917 78Q-HG3 G 2.24 ambi=2 { CG:33.511 } ::sumAvg: 4.88 atom: 916 78Q-HG2 G 2.335 ambi=2 { CG:33.511 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } :: atom: 917 78Q-HG3 G 2.24 ambi=2 { CG:33.511 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } ::sumAvg: 4.88 atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } :: atom: 969 83L-HD2 D2 0.611 ambi=2 { CD2:22.938 } atom: 117 10P-HA A 3.771 ambi=1 { CA:63.68 } ::sumAvg: 3.8 atom: 131 11N-HB2 B 3.181 ambi=2 { CB:36.745 } atom: 118 10P-HB2 B 2.153 ambi=2 { CB:31.982 } :: atom: 132 11N-HB3 B 3.117 ambi=2 { CB:36.745 } atom: 118 10P-HB2 B 2.153 ambi=2 { CB:31.982 } :: atom: 131 11N-HB2 B 3.181 ambi=2 { CB:36.745 } atom: 119 10P-HB3 B 1.87 ambi=2 { CB:31.982 } :: atom: 132 11N-HB3 B 3.117 ambi=2 { CB:36.745 } atom: 119 10P-HB3 B 1.87 ambi=2 { CB:31.982 } ::sumAvg: 4 atom: 118 10P-HB2 B 2.153 ambi=2 { CB:31.982 } atom: 133 11N-HD21 D2 7.687 ambi=1 { ND2:114.671 } :: atom: 119 10P-HB3 B 1.87 ambi=2 { CB:31.982 } atom: 133 11N-HD21 D2 7.687 ambi=1 { ND2:114.671 } ::sumAvg: 4.765 atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 118 10P-HB2 B 2.153 ambi=2 { CB:31.982 } :: atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 119 10P-HB3 B 1.87 ambi=2 { CB:31.982 } ::sumAvg: 3.79 atom: 118 10P-HB2 B 2.153 ambi=2 { CB:31.982 } atom: 899 77K-HG2 G 1.511 ambi=2 { CG:24.243 } :: atom: 118 10P-HB2 B 2.153 ambi=2 { CB:31.982 } atom: 900 77K-HG3 G 1.342 ambi=2 { CG:24.243 } :: atom: 119 10P-HB3 B 1.87 ambi=2 { CB:31.982 } atom: 900 77K-HG3 G 1.342 ambi=2 { CG:24.243 } ::sumAvg: 4.745 atom: 118 10P-HB2 B 2.153 ambi=2 { CB:31.982 } atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } :: atom: 119 10P-HB3 B 1.87 ambi=2 { CB:31.982 } atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } ::sumAvg: 4.965 atom: 120 10P-HG2 G 2.145 ambi=2 { CG:28.056 } atom: 129 11N-H N 8.81 ambi=1 { N:114.771 } :: atom: 121 10P-HG3 G 1.737 ambi=2 { CG:28.056 } atom: 129 11N-H N 8.81 ambi=1 { N:114.771 } ::sumAvg: 4.99 atom: 120 10P-HG2 G 2.145 ambi=2 { CG:28.056 } atom: 912 78Q-H N 8.833 ambi=1 { N:120.665 } :: atom: 121 10P-HG3 G 1.737 ambi=2 { CG:28.056 } atom: 912 78Q-H N 8.833 ambi=1 { N:120.665 } ::sumAvg: 3.85 atom: 120 10P-HG2 G 2.145 ambi=2 { CG:28.056 } atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } :: atom: 121 10P-HG3 G 1.737 ambi=2 { CG:28.056 } atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } ::sumAvg: 4.59 atom: 121 10P-HG3 G 1.737 ambi=2 { CG:28.056 } atom: 916 78Q-HG2 G 2.335 ambi=2 { CG:33.511 } :: atom: 121 10P-HG3 G 1.737 ambi=2 { CG:28.056 } atom: 917 78Q-HG3 G 2.24 ambi=2 { CG:33.511 } ::sumAvg: 3.925 atom: 916 78Q-HG2 G 2.335 ambi=2 { CG:33.511 } atom: 121 10P-HG3 G 1.737 ambi=2 { CG:28.056 } :: atom: 917 78Q-HG3 G 2.24 ambi=2 { CG:33.511 } atom: 121 10P-HG3 G 1.737 ambi=2 { CG:28.056 } ::sumAvg: 3.925 atom: 914 78Q-HB2 B 2.074 ambi=2 { CB:29.19 } atom: 122 10P-HD2 D 3.695 ambi=2 { CD:50.234 } :: atom: 915 78Q-HB3 B 1.854 ambi=2 { CB:29.19 } atom: 122 10P-HD2 D 3.695 ambi=2 { CD:50.234 } :: atom: 914 78Q-HB2 B 2.074 ambi=2 { CB:29.19 } atom: 123 10P-HD3 D 3.572 ambi=2 { CD:50.234 } :: atom: 915 78Q-HB3 B 1.854 ambi=2 { CB:29.19 } atom: 123 10P-HD3 D 3.572 ambi=2 { CD:50.234 } ::sumAvg: 4.185 atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } atom: 129 11N-H N 8.81 ambi=1 { N:114.771 } :: atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } atom: 129 11N-H N 8.81 ambi=1 { N:114.771 } ::sumAvg: 4.83 atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 129 11N-H N 8.81 ambi=1 { N:114.771 } ::sumAvg: 2.23 atom: 130 11N-HA A 4.203 ambi=1 { CA:54.925 } atom: 133 11N-HD21 D2 7.687 ambi=1 { ND2:114.671 } :: atom: 130 11N-HA A 4.203 ambi=1 { CA:54.925 } atom: 134 11N-HD22 D2 7.076 ambi=1 { ND2:114.671 } ::sumAvg: 4.375 atom: 130 11N-HA A 4.203 ambi=1 { CA:54.925 } atom: 872 75Y-QD D 7.009 ambi=3 { CD1:133.337 } ::sumAvg: 4.35 atom: 130 11N-HA A 4.203 ambi=1 { CA:54.925 } atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } ::sumAvg: 4.985 atom: 130 11N-HA A 4.203 ambi=1 { CA:54.925 } atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } ::sumAvg: 4.13 atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 130 11N-HA A 4.203 ambi=1 { CA:54.925 } ::sumAvg: 4.13 atom: 130 11N-HA A 4.203 ambi=1 { CA:54.925 } atom: 897 77K-HB2 B 1.851 ambi=2 { CB:36.13 } :: atom: 130 11N-HA A 4.203 ambi=1 { CA:54.925 } atom: 898 77K-HB3 B 1.777 ambi=2 { CB:36.13 } ::sumAvg: 4.11 atom: 897 77K-HB2 B 1.851 ambi=2 { CB:36.13 } atom: 130 11N-HA A 4.203 ambi=1 { CA:54.925 } :: atom: 898 77K-HB3 B 1.777 ambi=2 { CB:36.13 } atom: 130 11N-HA A 4.203 ambi=1 { CA:54.925 } ::sumAvg: 4.11 atom: 130 11N-HA A 4.203 ambi=1 { CA:54.925 } atom: 899 77K-HG2 G 1.511 ambi=2 { CG:24.243 } :: atom: 130 11N-HA A 4.203 ambi=1 { CA:54.925 } atom: 900 77K-HG3 G 1.342 ambi=2 { CG:24.243 } ::sumAvg: 4.26 atom: 899 77K-HG2 G 1.511 ambi=2 { CG:24.243 } atom: 130 11N-HA A 4.203 ambi=1 { CA:54.925 } :: atom: 900 77K-HG3 G 1.342 ambi=2 { CG:24.243 } atom: 130 11N-HA A 4.203 ambi=1 { CA:54.925 } ::sumAvg: 4.26 atom: 130 11N-HA A 4.203 ambi=1 { CA:54.925 } atom: 901 77K-QD D 1.742 ambi=2 { CD:29.269 } ::sumAvg: 4.345 atom: 131 11N-HB2 B 3.181 ambi=2 { CB:36.745 } atom: 141 12L-H N 7.161 ambi=1 { N:119.367 } :: atom: 132 11N-HB3 B 3.117 ambi=2 { CB:36.745 } atom: 141 12L-H N 7.161 ambi=1 { N:119.367 } ::sumAvg: 4.085 atom: 131 11N-HB2 B 3.181 ambi=2 { CB:36.745 } atom: 142 12L-HA A 4.535 ambi=1 { CA:54.404 } :: atom: 132 11N-HB3 B 3.117 ambi=2 { CB:36.745 } atom: 142 12L-HA A 4.535 ambi=1 { CA:54.404 } ::sumAvg: 4.51 atom: 142 12L-HA A 4.535 ambi=1 { CA:54.404 } atom: 131 11N-HB2 B 3.181 ambi=2 { CB:36.745 } :: atom: 142 12L-HA A 4.535 ambi=1 { CA:54.404 } atom: 132 11N-HB3 B 3.117 ambi=2 { CB:36.745 } ::sumAvg: 4.51 atom: 131 11N-HB2 B 3.181 ambi=2 { CB:36.745 } atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } :: atom: 131 11N-HB2 B 3.181 ambi=2 { CB:36.745 } atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } :: atom: 132 11N-HB3 B 3.117 ambi=2 { CB:36.745 } atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } :: atom: 132 11N-HB3 B 3.117 ambi=2 { CB:36.745 } atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } ::sumAvg: 4.975 atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } atom: 131 11N-HB2 B 3.181 ambi=2 { CB:36.745 } :: atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } atom: 131 11N-HB2 B 3.181 ambi=2 { CB:36.745 } :: atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } atom: 132 11N-HB3 B 3.117 ambi=2 { CB:36.745 } :: atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } atom: 132 11N-HB3 B 3.117 ambi=2 { CB:36.745 } ::sumAvg: 4.975 atom: 142 12L-HA A 4.535 ambi=1 { CA:54.404 } atom: 141 12L-H N 7.161 ambi=1 { N:119.367 } ::sumAvg: 2.95 atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } atom: 141 12L-H N 7.161 ambi=1 { N:119.367 } ::sumAvg: 4.9 atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } atom: 141 12L-H N 7.161 ambi=1 { N:119.367 } ::sumAvg: 4.655 atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } atom: 141 12L-H N 7.161 ambi=1 { N:119.367 } ::sumAvg: 4.84 atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 141 12L-H N 7.161 ambi=1 { N:119.367 } ::sumAvg: 4.16 atom: 142 12L-HA A 4.535 ambi=1 { CA:54.404 } atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } ::sumAvg: 4.455 atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } atom: 142 12L-HA A 4.535 ambi=1 { CA:54.404 } ::sumAvg: 4.455 atom: 142 12L-HA A 4.535 ambi=1 { CA:54.404 } atom: 157 13S-HB2 B 3.767 ambi=2 { CB:64.9 } :: atom: 142 12L-HA A 4.535 ambi=1 { CA:54.404 } atom: 158 13S-HB3 B 3.705 ambi=2 { CB:64.9 } ::sumAvg: 4.57 atom: 157 13S-HB2 B 3.767 ambi=2 { CB:64.9 } atom: 142 12L-HA A 4.535 ambi=1 { CA:54.404 } :: atom: 158 13S-HB3 B 3.705 ambi=2 { CB:64.9 } atom: 142 12L-HA A 4.535 ambi=1 { CA:54.404 } ::sumAvg: 4.57 atom: 142 12L-HA A 4.535 ambi=1 { CA:54.404 } atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } ::sumAvg: 4.825 atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } :: atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } ::sumAvg: 4.015 atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } :: atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } ::sumAvg: 3.46 atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } atom: 143 12L-HB2 B 1.481 ambi=2 { CB:45.093 } :: atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } atom: 144 12L-HB3 B 1.384 ambi=2 { CB:45.093 } ::sumAvg: 3.46 atom: 145 12L-HG G 1.47 ambi=1 { CG:26.428 } atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } ::sumAvg: 4.185 atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } atom: 145 12L-HG G 1.47 ambi=1 { CG:26.428 } ::sumAvg: 4.185 atom: 145 12L-HG G 1.47 ambi=1 { CG:26.428 } atom: 163 14G-H N 8.559 ambi=1 { N:110.197 } ::sumAvg: 4.61 atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 145 12L-HG G 1.47 ambi=1 { CG:26.428 } :: atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } atom: 145 12L-HG G 1.47 ambi=1 { CG:26.428 } ::sumAvg: 4.02 atom: 145 12L-HG G 1.47 ambi=1 { CG:26.428 } atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } ::sumAvg: 4.485 atom: 145 12L-HG G 1.47 ambi=1 { CG:26.428 } atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } ::sumAvg: 4.545 atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } atom: 145 12L-HG G 1.47 ambi=1 { CG:26.428 } ::sumAvg: 4.545 atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } atom: 145 12L-HG G 1.47 ambi=1 { CG:26.428 } :: atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } atom: 145 12L-HG G 1.47 ambi=1 { CG:26.428 } ::sumAvg: 3.845 atom: 146 12L-HD1 D1 0.708 ambi=2 { CD1:24.787 } atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } :: atom: 147 12L-HD2 D2 0.571 ambi=2 { CD2:24.811 } atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } ::sumAvg: 4.57 atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } atom: 146 12L-HD1 D1 0.708 ambi=2 { CD1:24.787 } :: atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } atom: 147 12L-HD2 D2 0.571 ambi=2 { CD2:24.811 } ::sumAvg: 4.57 atom: 146 12L-HD1 D1 0.708 ambi=2 { CD1:24.787 } atom: 157 13S-HB2 B 3.767 ambi=2 { CB:64.9 } :: atom: 146 12L-HD1 D1 0.708 ambi=2 { CD1:24.787 } atom: 158 13S-HB3 B 3.705 ambi=2 { CB:64.9 } :: atom: 147 12L-HD2 D2 0.571 ambi=2 { CD2:24.811 } atom: 157 13S-HB2 B 3.767 ambi=2 { CB:64.9 } :: atom: 147 12L-HD2 D2 0.571 ambi=2 { CD2:24.811 } atom: 158 13S-HB3 B 3.705 ambi=2 { CB:64.9 } ::sumAvg: 4.405 atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 146 12L-HD1 D1 0.708 ambi=2 { CD1:24.787 } :: atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } atom: 146 12L-HD1 D1 0.708 ambi=2 { CD1:24.787 } :: atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 147 12L-HD2 D2 0.571 ambi=2 { CD2:24.811 } :: atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } atom: 147 12L-HD2 D2 0.571 ambi=2 { CD2:24.811 } ::sumAvg: 4.335 atom: 146 12L-HD1 D1 0.708 ambi=2 { CD1:24.787 } atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } :: atom: 147 12L-HD2 D2 0.571 ambi=2 { CD2:24.811 } atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } ::sumAvg: 4.045 atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } atom: 155 13S-H N 8.245 ambi=1 { N:116.161 } ::sumAvg: 4.61 atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } :: atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } ::sumAvg: 4.385 atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } :: atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } ::sumAvg: 4.385 atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } atom: 862 74G-H N 8.809 ambi=1 { N:112.02 } ::sumAvg: 4.73 atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } atom: 868 75Y-H N 8.069 ambi=1 { N:119.656 } ::sumAvg: 4.85 atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } atom: 870 75Y-HB2 B 3.062 ambi=2 { CB:41.534 } :: atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } atom: 871 75Y-HB3 B 2.931 ambi=2 { CB:41.534 } ::sumAvg: 4.285 atom: 870 75Y-HB2 B 3.062 ambi=2 { CB:41.534 } atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } :: atom: 871 75Y-HB3 B 2.931 ambi=2 { CB:41.534 } atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } ::sumAvg: 4.285 atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } atom: 872 75Y-QD D 7.009 ambi=3 { CD1:133.337 } ::sumAvg: 3.375 atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } atom: 874 75Y-QE E 6.762 ambi=3 { CE1:118.018 } ::sumAvg: 4.67 atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } :: atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } ::sumAvg: 4.14 atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } :: atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } atom: 156 13S-HA A 5.543 ambi=1 { CA:56.434 } ::sumAvg: 4.14 atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 157 13S-HB2 B 3.767 ambi=2 { CB:64.9 } :: atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 158 13S-HB3 B 3.705 ambi=2 { CB:64.9 } :: atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } atom: 158 13S-HB3 B 3.705 ambi=2 { CB:64.9 } ::sumAvg: 4.535 atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } atom: 157 13S-HB2 B 3.767 ambi=2 { CB:64.9 } :: atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } atom: 158 13S-HB3 B 3.705 ambi=2 { CB:64.9 } ::sumAvg: 3.69 atom: 870 75Y-HB2 B 3.062 ambi=2 { CB:41.534 } atom: 157 13S-HB2 B 3.767 ambi=2 { CB:64.9 } :: atom: 871 75Y-HB3 B 2.931 ambi=2 { CB:41.534 } atom: 157 13S-HB2 B 3.767 ambi=2 { CB:64.9 } :: atom: 870 75Y-HB2 B 3.062 ambi=2 { CB:41.534 } atom: 158 13S-HB3 B 3.705 ambi=2 { CB:64.9 } :: atom: 871 75Y-HB3 B 2.931 ambi=2 { CB:41.534 } atom: 158 13S-HB3 B 3.705 ambi=2 { CB:64.9 } ::sumAvg: 4.275 atom: 157 13S-HB2 B 3.767 ambi=2 { CB:64.9 } atom: 874 75Y-QE E 6.762 ambi=3 { CE1:118.018 } :: atom: 158 13S-HB3 B 3.705 ambi=2 { CB:64.9 } atom: 874 75Y-QE E 6.762 ambi=3 { CE1:118.018 } ::sumAvg: 3.18 atom: 170 15T-HA A 5.536 ambi=1 { CA:61.739 } atom: 163 14G-H N 8.559 ambi=1 { N:110.197 } ::sumAvg: 4.75 atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } atom: 163 14G-H N 8.559 ambi=1 { N:110.197 } ::sumAvg: 4.735 atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 163 14G-H N 8.559 ambi=1 { N:110.197 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 163 14G-H N 8.559 ambi=1 { N:110.197 } ::sumAvg: 4.515 atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 170 15T-HA A 5.536 ambi=1 { CA:61.739 } :: atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } atom: 170 15T-HA A 5.536 ambi=1 { CA:61.739 } ::sumAvg: 4.41 atom: 170 15T-HA A 5.536 ambi=1 { CA:61.739 } atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } :: atom: 170 15T-HA A 5.536 ambi=1 { CA:61.739 } atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } ::sumAvg: 4.41 atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 171 15T-HB B 3.835 ambi=1 { CB:71.682 } ::sumAvg: 4.75 atom: 171 15T-HB B 3.835 ambi=1 { CB:71.682 } atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } ::sumAvg: 4.75 atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 862 74G-H N 8.809 ambi=1 { N:112.02 } :: atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } atom: 862 74G-H N 8.809 ambi=1 { N:112.02 } ::sumAvg: 4.58 atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } :: atom: 164 14G-HA2 A 4.574 ambi=2 { CA:45.998 } atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } :: atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } :: atom: 165 14G-HA3 A 4.107 ambi=2 { CA:45.998 } atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } ::sumAvg: 4.895 atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } atom: 169 15T-H N 8.296 ambi=1 { N:116.14 } ::sumAvg: 4.995 atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } atom: 169 15T-H N 8.296 ambi=1 { N:116.14 } ::sumAvg: 4.595 atom: 170 15T-HA A 5.536 ambi=1 { CA:61.739 } atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } ::sumAvg: 4.43 atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } atom: 170 15T-HA A 5.536 ambi=1 { CA:61.739 } ::sumAvg: 4.43 atom: 183 16I-HG2 G2 0.776 ambi=1 { CG2:17.508 } atom: 170 15T-HA A 5.536 ambi=1 { CA:61.739 } ::sumAvg: 4.355 atom: 170 15T-HA A 5.536 ambi=1 { CA:61.739 } atom: 843 72V-H N 9.012 ambi=1 { N:127.424 } ::sumAvg: 4.675 atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } atom: 170 15T-HA A 5.536 ambi=1 { CA:61.739 } :: atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } atom: 170 15T-HA A 5.536 ambi=1 { CA:61.739 } ::sumAvg: 4.74 atom: 170 15T-HA A 5.536 ambi=1 { CA:61.739 } atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } ::sumAvg: 4.55 atom: 171 15T-HB B 3.835 ambi=1 { CB:71.682 } atom: 178 16I-H N 9.269 ambi=1 { N:118.939 } ::sumAvg: 4.095 atom: 171 15T-HB B 3.835 ambi=1 { CB:71.682 } atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } ::sumAvg: 4.835 atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } atom: 171 15T-HB B 3.835 ambi=1 { CB:71.682 } ::sumAvg: 4.835 atom: 171 15T-HB B 3.835 ambi=1 { CB:71.682 } atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } ::sumAvg: 4.66 atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } atom: 171 15T-HB B 3.835 ambi=1 { CB:71.682 } ::sumAvg: 4.66 atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } ::sumAvg: 4.515 atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } atom: 194 17N-HB2 B 2.682 ambi=2 { CB:40.602 } :: atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } atom: 195 17N-HB3 B 2.486 ambi=2 { CB:40.602 } ::sumAvg: 4.885 atom: 194 17N-HB2 B 2.682 ambi=2 { CB:40.602 } atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } :: atom: 195 17N-HB3 B 2.486 ambi=2 { CB:40.602 } atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } ::sumAvg: 4.885 atom: 833 71E-HA A 5.076 ambi=1 { CA:55.278 } atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } ::sumAvg: 3.85 atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } ::sumAvg: 4.195 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } ::sumAvg: 4.195 atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } ::sumAvg: 3.825 atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } :: atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } ::sumAvg: 3.28 atom: 172 15T-HG2 G2 1.078 ambi=1 { CG2:22.35 } atom: 862 74G-H N 8.809 ambi=1 { N:112.02 } ::sumAvg: 4.87 atom: 180 16I-HB B 1.903 ambi=1 { CB:41.625 } atom: 178 16I-H N 9.269 ambi=1 { N:118.939 } ::sumAvg: 3.2 atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } atom: 178 16I-H N 9.269 ambi=1 { N:118.939 } ::sumAvg: 4.985 atom: 833 71E-HA A 5.076 ambi=1 { CA:55.278 } atom: 178 16I-H N 9.269 ambi=1 { N:118.939 } ::sumAvg: 4.775 atom: 836 71E-HG2 G 2.043 ambi=2 { CG:37.021 } atom: 178 16I-H N 9.269 ambi=1 { N:118.939 } :: atom: 837 71E-HG3 G 1.902 ambi=2 { CG:37.021 } atom: 178 16I-H N 9.269 ambi=1 { N:118.939 } ::sumAvg: 4.725 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 178 16I-H N 9.269 ambi=1 { N:118.939 } ::sumAvg: 4.725 atom: 845 72V-HB B 1.91 ambi=1 { CB:34.7 } atom: 178 16I-H N 9.269 ambi=1 { N:118.939 } ::sumAvg: 3.625 atom: 181 16I-HG12 G1 1.307 ambi=2 { CG1:26.197 } atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } :: atom: 182 16I-HG13 G1 1.065 ambi=2 { CG1:26.197 } atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } ::sumAvg: 3.06 atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } ::sumAvg: 4.465 atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } atom: 194 17N-HB2 B 2.682 ambi=2 { CB:40.602 } :: atom: 179 16I-HA A 5.055 ambi=1 { CA:59.046 } atom: 195 17N-HB3 B 2.486 ambi=2 { CB:40.602 } ::sumAvg: 4.63 atom: 180 16I-HB B 1.903 ambi=1 { CB:41.625 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } ::sumAvg: 4.14 atom: 994 85I-HD1 D1 0.563 ambi=1 { CD1:13.482 } atom: 180 16I-HB B 1.903 ambi=1 { CB:41.625 } ::sumAvg: 4.425 atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } atom: 181 16I-HG12 G1 1.307 ambi=2 { CG1:26.197 } :: atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } atom: 181 16I-HG12 G1 1.307 ambi=2 { CG1:26.197 } :: atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } atom: 182 16I-HG13 G1 1.065 ambi=2 { CG1:26.197 } ::sumAvg: 4.335 atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } atom: 181 16I-HG12 G1 1.307 ambi=2 { CG1:26.197 } :: atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } atom: 182 16I-HG13 G1 1.065 ambi=2 { CG1:26.197 } ::sumAvg: 4.79 atom: 598 51I-HD1 D1 0.581 ambi=1 { CD1:15.949 } atom: 181 16I-HG12 G1 1.307 ambi=2 { CG1:26.197 } :: atom: 598 51I-HD1 D1 0.581 ambi=1 { CD1:15.949 } atom: 182 16I-HG13 G1 1.065 ambi=2 { CG1:26.197 } ::sumAvg: 4.915 atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } atom: 181 16I-HG12 G1 1.307 ambi=2 { CG1:26.197 } :: atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } atom: 181 16I-HG12 G1 1.307 ambi=2 { CG1:26.197 } ::sumAvg: 4.005 atom: 181 16I-HG12 G1 1.307 ambi=2 { CG1:26.197 } atom: 993 85I-HG2 G2 0.723 ambi=1 { CG2:15.639 } ::sumAvg: 4.86 atom: 993 85I-HG2 G2 0.723 ambi=1 { CG2:15.639 } atom: 181 16I-HG12 G1 1.307 ambi=2 { CG1:26.197 } ::sumAvg: 4.86 atom: 994 85I-HD1 D1 0.563 ambi=1 { CD1:13.482 } atom: 181 16I-HG12 G1 1.307 ambi=2 { CG1:26.197 } :: atom: 994 85I-HD1 D1 0.563 ambi=1 { CD1:13.482 } atom: 182 16I-HG13 G1 1.065 ambi=2 { CG1:26.197 } ::sumAvg: 3.79 atom: 183 16I-HG2 G2 0.776 ambi=1 { CG2:17.508 } atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } ::sumAvg: 4.56 atom: 183 16I-HG2 G2 0.776 ambi=1 { CG2:17.508 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } ::sumAvg: 3.595 atom: 183 16I-HG2 G2 0.776 ambi=1 { CG2:17.508 } atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } ::sumAvg: 4.99 atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } atom: 183 16I-HG2 G2 0.776 ambi=1 { CG2:17.508 } ::sumAvg: 4.99 atom: 184 16I-HD1 D1 0.553 ambi=1 { CD1:14.331 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } ::sumAvg: 3.195 atom: 184 16I-HD1 D1 0.553 ambi=1 { CD1:14.331 } atom: 524 44L-HB2 B 1.762 ambi=2 { CB:44.689 } :: atom: 184 16I-HD1 D1 0.553 ambi=1 { CD1:14.331 } atom: 525 44L-HB3 B 1.141 ambi=2 { CB:44.689 } ::sumAvg: 4.26 atom: 184 16I-HD1 D1 0.553 ambi=1 { CD1:14.331 } atom: 594 51I-HB B 1.581 ambi=1 { CB:41.997 } ::sumAvg: 4.37 atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } atom: 192 17N-H N 8.962 ambi=1 { N:122.622 } ::sumAvg: 3.955 atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } ::sumAvg: 4.43 atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } ::sumAvg: 4.43 atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } ::sumAvg: 3.99 atom: 816 69I-HG2 G2 0.771 ambi=1 { CG2:17.237 } atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } ::sumAvg: 4.32 atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } ::sumAvg: 4.965 atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } ::sumAvg: 4.975 atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } atom: 834 71E-HB2 B 1.935 ambi=2 { CB:31.13 } :: atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } atom: 835 71E-HB3 B 1.806 ambi=2 { CB:31.13 } ::sumAvg: 4.335 atom: 834 71E-HB2 B 1.935 ambi=2 { CB:31.13 } atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } :: atom: 835 71E-HB3 B 1.806 ambi=2 { CB:31.13 } atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } ::sumAvg: 4.335 atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } atom: 836 71E-HG2 G 2.043 ambi=2 { CG:37.021 } :: atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } atom: 837 71E-HG3 G 1.902 ambi=2 { CG:37.021 } ::sumAvg: 4.005 atom: 836 71E-HG2 G 2.043 ambi=2 { CG:37.021 } atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } :: atom: 837 71E-HG3 G 1.902 ambi=2 { CG:37.021 } atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } ::sumAvg: 4.005 atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } :: atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } atom: 193 17N-HA A 5.554 ambi=1 { CA:52.512 } ::sumAvg: 4.795 atom: 194 17N-HB2 B 2.682 ambi=2 { CB:40.602 } atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } :: atom: 195 17N-HB3 B 2.486 ambi=2 { CB:40.602 } atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } ::sumAvg: 4.535 atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } atom: 194 17N-HB2 B 2.682 ambi=2 { CB:40.602 } :: atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } atom: 195 17N-HB3 B 2.486 ambi=2 { CB:40.602 } ::sumAvg: 4.535 atom: 194 17N-HB2 B 2.682 ambi=2 { CB:40.602 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } :: atom: 195 17N-HB3 B 2.486 ambi=2 { CB:40.602 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } ::sumAvg: 4.775 atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } atom: 194 17N-HB2 B 2.682 ambi=2 { CB:40.602 } :: atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } atom: 195 17N-HB3 B 2.486 ambi=2 { CB:40.602 } ::sumAvg: 4.775 atom: 816 69I-HG2 G2 0.771 ambi=1 { CG2:17.237 } atom: 194 17N-HB2 B 2.682 ambi=2 { CB:40.602 } :: atom: 816 69I-HG2 G2 0.771 ambi=1 { CG2:17.237 } atom: 195 17N-HB3 B 2.486 ambi=2 { CB:40.602 } ::sumAvg: 4.075 atom: 833 71E-HA A 5.076 ambi=1 { CA:55.278 } atom: 194 17N-HB2 B 2.682 ambi=2 { CB:40.602 } :: atom: 833 71E-HA A 5.076 ambi=1 { CA:55.278 } atom: 195 17N-HB3 B 2.486 ambi=2 { CB:40.602 } ::sumAvg: 4.41 atom: 194 17N-HB2 B 2.682 ambi=2 { CB:40.602 } atom: 834 71E-HB2 B 1.935 ambi=2 { CB:31.13 } :: atom: 194 17N-HB2 B 2.682 ambi=2 { CB:40.602 } atom: 835 71E-HB3 B 1.806 ambi=2 { CB:31.13 } :: atom: 195 17N-HB3 B 2.486 ambi=2 { CB:40.602 } atom: 834 71E-HB2 B 1.935 ambi=2 { CB:31.13 } :: atom: 195 17N-HB3 B 2.486 ambi=2 { CB:40.602 } atom: 835 71E-HB3 B 1.806 ambi=2 { CB:31.13 } ::sumAvg: 4.98 atom: 834 71E-HB2 B 1.935 ambi=2 { CB:31.13 } atom: 194 17N-HB2 B 2.682 ambi=2 { CB:40.602 } :: atom: 835 71E-HB3 B 1.806 ambi=2 { CB:31.13 } atom: 194 17N-HB2 B 2.682 ambi=2 { CB:40.602 } :: atom: 834 71E-HB2 B 1.935 ambi=2 { CB:31.13 } atom: 195 17N-HB3 B 2.486 ambi=2 { CB:40.602 } :: atom: 835 71E-HB3 B 1.806 ambi=2 { CB:31.13 } atom: 195 17N-HB3 B 2.486 ambi=2 { CB:40.602 } ::sumAvg: 4.98 atom: 194 17N-HB2 B 2.682 ambi=2 { CB:40.602 } atom: 836 71E-HG2 G 2.043 ambi=2 { CG:37.021 } :: atom: 194 17N-HB2 B 2.682 ambi=2 { CB:40.602 } atom: 837 71E-HG3 G 1.902 ambi=2 { CG:37.021 } :: atom: 195 17N-HB3 B 2.486 ambi=2 { CB:40.602 } atom: 836 71E-HG2 G 2.043 ambi=2 { CG:37.021 } :: atom: 195 17N-HB3 B 2.486 ambi=2 { CB:40.602 } atom: 837 71E-HG3 G 1.902 ambi=2 { CG:37.021 } ::sumAvg: 4.17 atom: 836 71E-HG2 G 2.043 ambi=2 { CG:37.021 } atom: 194 17N-HB2 B 2.682 ambi=2 { CB:40.602 } :: atom: 837 71E-HG3 G 1.902 ambi=2 { CG:37.021 } atom: 194 17N-HB2 B 2.682 ambi=2 { CB:40.602 } :: atom: 836 71E-HG2 G 2.043 ambi=2 { CG:37.021 } atom: 195 17N-HB3 B 2.486 ambi=2 { CB:40.602 } :: atom: 837 71E-HG3 G 1.902 ambi=2 { CG:37.021 } atom: 195 17N-HB3 B 2.486 ambi=2 { CB:40.602 } ::sumAvg: 4.17 atom: 816 69I-HG2 G2 0.771 ambi=1 { CG2:17.237 } atom: 197 17N-HD22 D2 6.848 ambi=1 { ND2:109.841 } ::sumAvg: 4.865 atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } atom: 204 18A-H N 9.124 ambi=1 { N:124.29 } ::sumAvg: 2.92 atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 204 18A-H N 9.124 ambi=1 { N:124.29 } ::sumAvg: 4.815 atom: 524 44L-HB2 B 1.762 ambi=2 { CB:44.689 } atom: 204 18A-H N 9.124 ambi=1 { N:124.29 } :: atom: 525 44L-HB3 B 1.141 ambi=2 { CB:44.689 } atom: 204 18A-H N 9.124 ambi=1 { N:124.29 } ::sumAvg: 4.85 atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } atom: 204 18A-H N 9.124 ambi=1 { N:124.29 } :: atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } atom: 204 18A-H N 9.124 ambi=1 { N:124.29 } ::sumAvg: 3.775 atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 204 18A-H N 9.124 ambi=1 { N:124.29 } ::sumAvg: 4.765 atom: 833 71E-HA A 5.076 ambi=1 { CA:55.278 } atom: 204 18A-H N 9.124 ambi=1 { N:124.29 } ::sumAvg: 3.785 atom: 1081 93I-HD1 D1 0.73 ambi=1 { CD1:12.223 } atom: 204 18A-H N 9.124 ambi=1 { N:124.29 } ::sumAvg: 4.19 atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } ::sumAvg: 2.125 atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } ::sumAvg: 2.385 atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } ::sumAvg: 4.245 atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } ::sumAvg: 4.245 atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } ::sumAvg: 4.7 atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } ::sumAvg: 4.7 atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } atom: 524 44L-HB2 B 1.762 ambi=2 { CB:44.689 } :: atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } atom: 525 44L-HB3 B 1.141 ambi=2 { CB:44.689 } ::sumAvg: 4.575 atom: 524 44L-HB2 B 1.762 ambi=2 { CB:44.689 } atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } :: atom: 525 44L-HB3 B 1.141 ambi=2 { CB:44.689 } atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } ::sumAvg: 4.575 atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } :: atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } ::sumAvg: 4.65 atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } :: atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } ::sumAvg: 4.65 atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } atom: 536 45K-H N 9.209 ambi=1 { N:120.149 } ::sumAvg: 4.735 atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } :: atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } atom: 556 46D-HB3 B 3.08 ambi=2 { CB:41.838 } ::sumAvg: 2.78 atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } :: atom: 556 46D-HB3 B 3.08 ambi=2 { CB:41.838 } atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } ::sumAvg: 2.78 atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } atom: 816 69I-HG2 G2 0.771 ambi=1 { CG2:17.237 } ::sumAvg: 4.165 atom: 816 69I-HG2 G2 0.771 ambi=1 { CG2:17.237 } atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } ::sumAvg: 4.165 atom: 205 18A-HA A 4.908 ambi=1 { CA:50.697 } atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } ::sumAvg: 4.795 atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } ::sumAvg: 4.25 atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } ::sumAvg: 4.25 atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } ::sumAvg: 4.085 atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } ::sumAvg: 4.085 atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } ::sumAvg: 4.855 atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } ::sumAvg: 4.855 atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } ::sumAvg: 4.975 atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } atom: 537 45K-HA A 5.247 ambi=1 { CA:55.625 } ::sumAvg: 3.475 atom: 537 45K-HA A 5.247 ambi=1 { CA:55.625 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } ::sumAvg: 3.475 atom: 538 45K-HB2 B 1.777 ambi=2 { CB:37.681 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } ::sumAvg: 4.795 atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } atom: 553 46D-H N 8.91 ambi=1 { N:126.536 } ::sumAvg: 3.86 atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } ::sumAvg: 4.725 atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } ::sumAvg: 4.725 atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } ::sumAvg: 3.925 atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } ::sumAvg: 4.45 atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } :: atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } atom: 206 18A-HB B 1.189 ambi=1 { CB:24.641 } ::sumAvg: 4.23 atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } ::sumAvg: 2.905 atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } :: atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } ::sumAvg: 4.805 atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } ::sumAvg: 4.915 atom: 524 44L-HB2 B 1.762 ambi=2 { CB:44.689 } atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } :: atom: 525 44L-HB3 B 1.141 ambi=2 { CB:44.689 } atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } ::sumAvg: 4.12 atom: 537 45K-HA A 5.247 ambi=1 { CA:55.625 } atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } ::sumAvg: 4.765 atom: 538 45K-HB2 B 1.777 ambi=2 { CB:37.681 } atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } :: atom: 539 45K-HB3 B 1.588 ambi=2 { CB:37.681 } atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } ::sumAvg: 4.59 atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } ::sumAvg: 4.57 atom: 816 69I-HG2 G2 0.771 ambi=1 { CG2:17.237 } atom: 211 19E-H N 9.039 ambi=1 { N:121.34 } ::sumAvg: 4.73 atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } ::sumAvg: 2.335 atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } ::sumAvg: 2.415 atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } ::sumAvg: 2.21 atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } ::sumAvg: 4.36 atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } ::sumAvg: 4.36 atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } ::sumAvg: 4.685 atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } ::sumAvg: 4.685 atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } :: atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } ::sumAvg: 3.62 atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } :: atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } ::sumAvg: 3.62 atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } :: atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } ::sumAvg: 4.08 atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } :: atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } ::sumAvg: 4.08 atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 536 45K-H N 9.209 ambi=1 { N:120.149 } ::sumAvg: 4.655 atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 811 69I-H N 8.835 ambi=1 { N:120.662 } ::sumAvg: 4.595 atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 814 69I-HG12 G1 1.476 ambi=2 { CG1:27.03 } :: atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 815 69I-HG13 G1 1.375 ambi=2 { CG1:27.03 } ::sumAvg: 4.205 atom: 814 69I-HG12 G1 1.476 ambi=2 { CG1:27.03 } atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } :: atom: 815 69I-HG13 G1 1.375 ambi=2 { CG1:27.03 } atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } ::sumAvg: 4.205 atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 816 69I-HG2 G2 0.771 ambi=1 { CG2:17.237 } ::sumAvg: 3.75 atom: 816 69I-HG2 G2 0.771 ambi=1 { CG2:17.237 } atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } ::sumAvg: 3.75 atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 817 69I-HD1 D1 0.746 ambi=1 { CD1:10.646 } ::sumAvg: 3.835 atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } ::sumAvg: 2.89 atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } ::sumAvg: 4.08 atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } atom: 212 19E-HA A 4.814 ambi=1 { CA:54.93 } ::sumAvg: 4.08 atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } ::sumAvg: 3.275 atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } ::sumAvg: 4.695 atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } ::sumAvg: 4.695 atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } :: atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } ::sumAvg: 3.775 atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } :: atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } ::sumAvg: 3.775 atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } atom: 536 45K-H N 9.209 ambi=1 { N:120.149 } ::sumAvg: 3.56 atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } atom: 540 45K-HG2 G 1.392 ambi=2 { CG:24.31 } :: atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } atom: 541 45K-HG3 G 1.358 ambi=2 { CG:24.31 } ::sumAvg: 4.985 atom: 540 45K-HG2 G 1.392 ambi=2 { CG:24.31 } atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } :: atom: 541 45K-HG3 G 1.358 ambi=2 { CG:24.31 } atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } ::sumAvg: 4.985 atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } ::sumAvg: 3.86 atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } ::sumAvg: 3.86 atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } atom: 797 67G-H N 9.371 ambi=1 { N:116.379 } ::sumAvg: 4.83 atom: 798 67G-HA2 A 4.482 ambi=2 { CA:44.756 } atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } :: atom: 799 67G-HA3 A 3.71 ambi=2 { CA:44.756 } atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } ::sumAvg: 4.225 atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } ::sumAvg: 3.68 atom: 214 19E-QB B 1.9385 ambi=2 { CB:31.588 } atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } ::sumAvg: 4.73 atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } :: atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } ::sumAvg: 4.64 atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } :: atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } ::sumAvg: 4.64 atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } :: atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } ::sumAvg: 4.5 atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } ::sumAvg: 4.98 atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } ::sumAvg: 4.98 atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } atom: 797 67G-H N 9.371 ambi=1 { N:116.379 } ::sumAvg: 4.42 atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } atom: 798 67G-HA2 A 4.482 ambi=2 { CA:44.756 } :: atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } atom: 799 67G-HA3 A 3.71 ambi=2 { CA:44.756 } ::sumAvg: 3.63 atom: 798 67G-HA2 A 4.482 ambi=2 { CA:44.756 } atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } :: atom: 799 67G-HA3 A 3.71 ambi=2 { CA:44.756 } atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } ::sumAvg: 3.63 atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } atom: 803 68D-H N 8.119 ambi=1 { N:121.994 } ::sumAvg: 4.53 atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } ::sumAvg: 4.44 atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } ::sumAvg: 4.44 atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } ::sumAvg: 3.27 atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } ::sumAvg: 3.27 atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } atom: 814 69I-HG12 G1 1.476 ambi=2 { CG1:27.03 } :: atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } atom: 815 69I-HG13 G1 1.375 ambi=2 { CG1:27.03 } ::sumAvg: 3.44 atom: 814 69I-HG12 G1 1.476 ambi=2 { CG1:27.03 } atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } :: atom: 815 69I-HG13 G1 1.375 ambi=2 { CG1:27.03 } atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } ::sumAvg: 3.44 atom: 816 69I-HG2 G2 0.771 ambi=1 { CG2:17.237 } atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } ::sumAvg: 4.13 atom: 817 69I-HD1 D1 0.746 ambi=1 { CD1:10.646 } atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } ::sumAvg: 3.355 atom: 215 19E-QG G 2.052 ambi=2 { CG:36.133 } atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } ::sumAvg: 4.54 atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } :: atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } ::sumAvg: 4.88 atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } ::sumAvg: 4.86 atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } :: atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } ::sumAvg: 3.745 atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } ::sumAvg: 4.95 atom: 798 67G-HA2 A 4.482 ambi=2 { CA:44.756 } atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } :: atom: 799 67G-HA3 A 3.71 ambi=2 { CA:44.756 } atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } ::sumAvg: 4.63 atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } ::sumAvg: 4.795 atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } :: atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } ::sumAvg: 4.115 atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 222 20V-H N 9.261 ambi=1 { N:126.296 } ::sumAvg: 3.535 atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } ::sumAvg: 3.035 atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } ::sumAvg: 4.58 atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } :: atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } ::sumAvg: 4.375 atom: 524 44L-HB2 B 1.762 ambi=2 { CB:44.689 } atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } :: atom: 525 44L-HB3 B 1.141 ambi=2 { CB:44.689 } atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } ::sumAvg: 4.33 atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } atom: 526 44L-HG G 1.473 ambi=1 { CG:27.137 } ::sumAvg: 3.235 atom: 526 44L-HG G 1.473 ambi=1 { CG:27.137 } atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } ::sumAvg: 3.235 atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } atom: 536 45K-H N 9.209 ambi=1 { N:120.149 } ::sumAvg: 3.9 atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } :: atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } ::sumAvg: 4.57 atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } ::sumAvg: 4.915 atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } ::sumAvg: 4.915 atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } atom: 797 67G-H N 9.371 ambi=1 { N:116.379 } ::sumAvg: 4.78 atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } ::sumAvg: 4.435 atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } atom: 223 20V-HA A 4.17 ambi=1 { CA:62.905 } ::sumAvg: 4.435 atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } atom: 233 21V-H N 9.145 ambi=1 { N:130.99 } ::sumAvg: 4.315 atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } :: atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } ::sumAvg: 4.425 atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } :: atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } ::sumAvg: 3.59 atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } :: atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } ::sumAvg: 3.59 atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } atom: 763 65K-H N 9.121 ambi=1 { N:126.71 } ::sumAvg: 4.675 atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } atom: 784 66K-HG2 G 1.442 ambi=2 { CG:24.59 } :: atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } atom: 785 66K-HG3 G 1.263 ambi=2 { CG:24.59 } ::sumAvg: 4.995 atom: 784 66K-HG2 G 1.442 ambi=2 { CG:24.59 } atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } :: atom: 785 66K-HG3 G 1.263 ambi=2 { CG:24.59 } atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } ::sumAvg: 4.995 atom: 798 67G-HA2 A 4.482 ambi=2 { CA:44.756 } atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } :: atom: 799 67G-HA3 A 3.71 ambi=2 { CA:44.756 } atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } ::sumAvg: 4.945 atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } ::sumAvg: 4.945 atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } ::sumAvg: 4.945 atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } ::sumAvg: 3.21 atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } ::sumAvg: 3.21 atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } ::sumAvg: 4.49 atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } atom: 224 20V-HB B 2.433 ambi=1 { CB:30.719 } ::sumAvg: 4.49 atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } :: atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } ::sumAvg: 4.58 atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } :: atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } ::sumAvg: 4.58 atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } :: atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } ::sumAvg: 3.665 atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } :: atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } ::sumAvg: 3.665 atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } ::sumAvg: 4.37 atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } ::sumAvg: 4.37 atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } :: atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } ::sumAvg: 4.195 atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } :: atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } ::sumAvg: 4.195 atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } :: atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } ::sumAvg: 4.57 atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } :: atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } ::sumAvg: 4.57 atom: 492 42L-HB2 B 1.56 ambi=2 { CB:46.681 } atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } :: atom: 493 42L-HB3 B 1.459 ambi=2 { CB:46.681 } atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } :: atom: 492 42L-HB2 B 1.56 ambi=2 { CB:46.681 } atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } :: atom: 493 42L-HB3 B 1.459 ambi=2 { CB:46.681 } atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } ::sumAvg: 4.03 atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } atom: 494 42L-HG G 1.627 ambi=1 { CG:27.122 } :: atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } atom: 494 42L-HG G 1.627 ambi=1 { CG:27.122 } ::sumAvg: 4.76 atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } atom: 506 43F-HB2 B 3.108 ambi=2 { CB:41.838 } :: atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } atom: 507 43F-HB3 B 3.046 ambi=2 { CB:41.838 } :: atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } atom: 506 43F-HB2 B 3.108 ambi=2 { CB:41.838 } :: atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } atom: 507 43F-HB3 B 3.046 ambi=2 { CB:41.838 } ::sumAvg: 4.965 atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } :: atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } ::sumAvg: 4.12 atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } :: atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } ::sumAvg: 4.315 atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } :: atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } ::sumAvg: 4.165 atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } :: atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } ::sumAvg: 4.165 atom: 754 64V-HB B 2.176 ambi=1 { CB:33.838 } atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } :: atom: 754 64V-HB B 2.176 ambi=1 { CB:33.838 } atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } ::sumAvg: 3.135 atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } :: atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } ::sumAvg: 3.89 atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } :: atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } ::sumAvg: 3.89 atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } atom: 788 66K-QE E 3.064 ambi=2 { CE:42.108 } :: atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } atom: 788 66K-QE E 3.064 ambi=2 { CE:42.108 } ::sumAvg: 4.89 atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } :: atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } ::sumAvg: 4.795 atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } :: atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } ::sumAvg: 4.795 atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } atom: 811 69I-H N 8.835 ambi=1 { N:120.662 } :: atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } atom: 811 69I-H N 8.835 ambi=1 { N:120.662 } ::sumAvg: 4.8 atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } :: atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } ::sumAvg: 4.065 atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } :: atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } ::sumAvg: 4.32 atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } atom: 225 20V-HG1 G1 0.692 ambi=2 { CG1:22.153 } :: atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } atom: 226 20V-HG2 G2 0.821 ambi=2 { CG2:20.574 } ::sumAvg: 4.32 atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } atom: 233 21V-H N 9.145 ambi=1 { N:130.99 } ::sumAvg: 4.81 atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } atom: 233 21V-H N 9.145 ambi=1 { N:130.99 } ::sumAvg: 4.55 atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } atom: 233 21V-H N 9.145 ambi=1 { N:130.99 } :: atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } atom: 233 21V-H N 9.145 ambi=1 { N:130.99 } ::sumAvg: 4.895 atom: 506 43F-HB2 B 3.108 ambi=2 { CB:41.838 } atom: 233 21V-H N 9.145 ambi=1 { N:130.99 } :: atom: 507 43F-HB3 B 3.046 ambi=2 { CB:41.838 } atom: 233 21V-H N 9.145 ambi=1 { N:130.99 } ::sumAvg: 4.125 atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } atom: 233 21V-H N 9.145 ambi=1 { N:130.99 } ::sumAvg: 2.61 atom: 526 44L-HG G 1.473 ambi=1 { CG:27.137 } atom: 233 21V-H N 9.145 ambi=1 { N:130.99 } ::sumAvg: 4.42 atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } atom: 233 21V-H N 9.145 ambi=1 { N:130.99 } ::sumAvg: 4.95 atom: 234 21V-HA A 4.149 ambi=1 { CA:63.59 } atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } ::sumAvg: 4.44 atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } atom: 234 21V-HA A 4.149 ambi=1 { CA:63.59 } ::sumAvg: 4.44 atom: 234 21V-HA A 4.149 ambi=1 { CA:63.59 } atom: 782 66K-HB2 B 1.716 ambi=2 { CB:32.373 } :: atom: 234 21V-HA A 4.149 ambi=1 { CA:63.59 } atom: 783 66K-HB3 B 1.655 ambi=2 { CB:32.373 } ::sumAvg: 4.985 atom: 782 66K-HB2 B 1.716 ambi=2 { CB:32.373 } atom: 234 21V-HA A 4.149 ambi=1 { CA:63.59 } :: atom: 783 66K-HB3 B 1.655 ambi=2 { CB:32.373 } atom: 234 21V-HA A 4.149 ambi=1 { CA:63.59 } ::sumAvg: 4.985 atom: 234 21V-HA A 4.149 ambi=1 { CA:63.59 } atom: 786 66K-HD2 D 1.758 ambi=2 { CD:29.645 } :: atom: 234 21V-HA A 4.149 ambi=1 { CA:63.59 } atom: 787 66K-HD3 D 1.672 ambi=2 { CD:29.645 } ::sumAvg: 4.93 atom: 786 66K-HD2 D 1.758 ambi=2 { CD:29.645 } atom: 234 21V-HA A 4.149 ambi=1 { CA:63.59 } :: atom: 787 66K-HD3 D 1.672 ambi=2 { CD:29.645 } atom: 234 21V-HA A 4.149 ambi=1 { CA:63.59 } ::sumAvg: 4.93 atom: 234 21V-HA A 4.149 ambi=1 { CA:63.59 } atom: 788 66K-QE E 3.064 ambi=2 { CE:42.108 } ::sumAvg: 4.535 atom: 234 21V-HA A 4.149 ambi=1 { CA:63.59 } atom: 797 67G-H N 9.371 ambi=1 { N:116.379 } ::sumAvg: 3.785 atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } ::sumAvg: 4.87 atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } ::sumAvg: 4.87 atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } ::sumAvg: 3.61 atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } ::sumAvg: 3.61 atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } atom: 504 43F-H N 9.053 ambi=1 { N:123.16 } ::sumAvg: 4.68 atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } ::sumAvg: 4.9 atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } ::sumAvg: 4.9 atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } ::sumAvg: 4.785 atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } ::sumAvg: 4.685 atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } ::sumAvg: 3.795 atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } ::sumAvg: 3.795 atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } atom: 536 45K-H N 9.209 ambi=1 { N:120.149 } ::sumAvg: 4.62 atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } atom: 539 45K-HB3 B 1.588 ambi=2 { CB:37.681 } ::sumAvg: 4.045 atom: 539 45K-HB3 B 1.588 ambi=2 { CB:37.681 } atom: 235 21V-HB B 1.999 ambi=1 { CB:32.532 } ::sumAvg: 4.045 atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } :: atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } ::sumAvg: 3.95 atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } :: atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } ::sumAvg: 3.95 atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } :: atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } ::sumAvg: 4.65 atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } :: atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } ::sumAvg: 3.065 atom: 524 44L-HB2 B 1.762 ambi=2 { CB:44.689 } atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } :: atom: 524 44L-HB2 B 1.762 ambi=2 { CB:44.689 } atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } ::sumAvg: 4.785 atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } atom: 536 45K-H N 9.209 ambi=1 { N:120.149 } :: atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } atom: 536 45K-H N 9.209 ambi=1 { N:120.149 } ::sumAvg: 2.675 atom: 537 45K-HA A 5.247 ambi=1 { CA:55.625 } atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } :: atom: 537 45K-HA A 5.247 ambi=1 { CA:55.625 } atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } ::sumAvg: 3.935 atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } :: atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } ::sumAvg: 4.975 atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } :: atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } ::sumAvg: 4.975 atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } :: atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } ::sumAvg: 4.08 atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } :: atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } ::sumAvg: 4.08 atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } atom: 784 66K-HG2 G 1.442 ambi=2 { CG:24.59 } :: atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } atom: 784 66K-HG2 G 1.442 ambi=2 { CG:24.59 } ::sumAvg: 4.455 atom: 786 66K-HD2 D 1.758 ambi=2 { CD:29.645 } atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } :: atom: 787 66K-HD3 D 1.672 ambi=2 { CD:29.645 } atom: 236 21V-HG1 G1 0.959 ambi=2 { CG1:21.689 } :: atom: 786 66K-HD2 D 1.758 ambi=2 { CD:29.645 } atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } :: atom: 787 66K-HD3 D 1.672 ambi=2 { CD:29.645 } atom: 237 21V-HG2 G2 0.871 ambi=2 { CG2:21.608 } ::sumAvg: 4.755 atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 244 22A-H N 7.767 ambi=1 { N:118.623 } ::sumAvg: 4.745 atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } atom: 244 22A-H N 7.767 ambi=1 { N:118.623 } ::sumAvg: 4.76 atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } atom: 244 22A-H N 7.767 ambi=1 { N:118.623 } ::sumAvg: 4.96 atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } atom: 244 22A-H N 7.767 ambi=1 { N:118.623 } :: atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } atom: 244 22A-H N 7.767 ambi=1 { N:118.623 } ::sumAvg: 4.37 atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } atom: 244 22A-H N 7.767 ambi=1 { N:118.623 } ::sumAvg: 4.78 atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } atom: 244 22A-H N 7.767 ambi=1 { N:118.623 } ::sumAvg: 4.365 atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } atom: 244 22A-H N 7.767 ambi=1 { N:118.623 } :: atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } atom: 244 22A-H N 7.767 ambi=1 { N:118.623 } ::sumAvg: 4.315 atom: 784 66K-HG2 G 1.442 ambi=2 { CG:24.59 } atom: 244 22A-H N 7.767 ambi=1 { N:118.623 } :: atom: 785 66K-HG3 G 1.263 ambi=2 { CG:24.59 } atom: 244 22A-H N 7.767 ambi=1 { N:118.623 } ::sumAvg: 4.84 atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } ::sumAvg: 4.45 atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } ::sumAvg: 4.45 atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } ::sumAvg: 3.95 atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } atom: 504 43F-H N 9.053 ambi=1 { N:123.16 } ::sumAvg: 4.755 atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } atom: 506 43F-HB2 B 3.108 ambi=2 { CB:41.838 } :: atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } atom: 507 43F-HB3 B 3.046 ambi=2 { CB:41.838 } ::sumAvg: 4.665 atom: 506 43F-HB2 B 3.108 ambi=2 { CB:41.838 } atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } :: atom: 507 43F-HB3 B 3.046 ambi=2 { CB:41.838 } atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } ::sumAvg: 4.665 atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } ::sumAvg: 4.79 atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } ::sumAvg: 4.79 atom: 782 66K-HB2 B 1.716 ambi=2 { CB:32.373 } atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } :: atom: 783 66K-HB3 B 1.655 ambi=2 { CB:32.373 } atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } ::sumAvg: 3.975 atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } atom: 784 66K-HG2 G 1.442 ambi=2 { CG:24.59 } :: atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } atom: 785 66K-HG3 G 1.263 ambi=2 { CG:24.59 } ::sumAvg: 3.62 atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } atom: 788 66K-QE E 3.064 ambi=2 { CE:42.108 } ::sumAvg: 3.945 atom: 788 66K-QE E 3.064 ambi=2 { CE:42.108 } atom: 245 22A-HA A 4.358 ambi=1 { CA:52.283 } ::sumAvg: 3.945 atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } ::sumAvg: 4.08 atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } ::sumAvg: 4.08 atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } ::sumAvg: 4.725 atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } ::sumAvg: 4.63 atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } ::sumAvg: 4.63 atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } ::sumAvg: 4.585 atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } atom: 786 66K-HD2 D 1.758 ambi=2 { CD:29.645 } :: atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } atom: 787 66K-HD3 D 1.672 ambi=2 { CD:29.645 } ::sumAvg: 4.48 atom: 786 66K-HD2 D 1.758 ambi=2 { CD:29.645 } atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } :: atom: 787 66K-HD3 D 1.672 ambi=2 { CD:29.645 } atom: 246 22A-HB B 1.205 ambi=1 { CB:22.673 } ::sumAvg: 4.48 atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 251 23A-H N 8.497 ambi=1 { N:124.528 } ::sumAvg: 2.935 atom: 259 24Y-HA A 4.787 ambi=1 { CA:57.008 } atom: 251 23A-H N 8.497 ambi=1 { N:124.528 } ::sumAvg: 4.81 atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } atom: 251 23A-H N 8.497 ambi=1 { N:124.528 } ::sumAvg: 4.88 atom: 782 66K-HB2 B 1.716 ambi=2 { CB:32.373 } atom: 251 23A-H N 8.497 ambi=1 { N:124.528 } :: atom: 783 66K-HB3 B 1.655 ambi=2 { CB:32.373 } atom: 251 23A-H N 8.497 ambi=1 { N:124.528 } ::sumAvg: 4.875 atom: 788 66K-QE E 3.064 ambi=2 { CE:42.108 } atom: 251 23A-H N 8.497 ambi=1 { N:124.528 } ::sumAvg: 4.875 atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } ::sumAvg: 2.13 atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } ::sumAvg: 2.23 atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 260 24Y-HB2 B 3.233 ambi=2 { CB:37.376 } :: atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 261 24Y-HB3 B 3.023 ambi=2 { CB:37.376 } ::sumAvg: 4.545 atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 262 24Y-QD D 7.092 ambi=3 { CD1:132.659 } ::sumAvg: 4.625 atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 473 40K-HE2 E 3.154 ambi=2 { CE:42.329 } :: atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 474 40K-HE3 E 2.873 ambi=2 { CE:42.329 } ::sumAvg: 4.97 atom: 473 40K-HE2 E 3.154 ambi=2 { CE:42.329 } atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } :: atom: 474 40K-HE3 E 2.873 ambi=2 { CE:42.329 } atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } ::sumAvg: 4.97 atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } ::sumAvg: 2.295 atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 492 42L-HB2 B 1.56 ambi=2 { CB:46.681 } :: atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 493 42L-HB3 B 1.459 ambi=2 { CB:46.681 } ::sumAvg: 3.435 atom: 492 42L-HB2 B 1.56 ambi=2 { CB:46.681 } atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } :: atom: 493 42L-HB3 B 1.459 ambi=2 { CB:46.681 } atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } ::sumAvg: 3.435 atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 494 42L-HG G 1.627 ambi=1 { CG:27.122 } ::sumAvg: 4.915 atom: 494 42L-HG G 1.627 ambi=1 { CG:27.122 } atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } ::sumAvg: 4.915 atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } :: atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } ::sumAvg: 3.48 atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 504 43F-H N 9.053 ambi=1 { N:123.16 } ::sumAvg: 3.35 atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } :: atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } ::sumAvg: 3.855 atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } :: atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } atom: 252 23A-HA A 4.758 ambi=1 { CA:51.244 } ::sumAvg: 3.855 atom: 259 24Y-HA A 4.787 ambi=1 { CA:57.008 } atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } ::sumAvg: 4.33 atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } atom: 260 24Y-HB2 B 3.233 ambi=2 { CB:37.376 } :: atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } atom: 261 24Y-HB3 B 3.023 ambi=2 { CB:37.376 } ::sumAvg: 4.965 atom: 260 24Y-HB2 B 3.233 ambi=2 { CB:37.376 } atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } :: atom: 261 24Y-HB3 B 3.023 ambi=2 { CB:37.376 } atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } ::sumAvg: 4.965 atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } ::sumAvg: 4.21 atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } ::sumAvg: 4.21 atom: 471 40K-HD2 D 1.896 ambi=2 { CD:30.617 } atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } :: atom: 472 40K-HD3 D 1.718 ambi=2 { CD:30.617 } atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } ::sumAvg: 4.645 atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } atom: 492 42L-HB2 B 1.56 ambi=2 { CB:46.681 } ::sumAvg: 3.815 atom: 492 42L-HB2 B 1.56 ambi=2 { CB:46.681 } atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } ::sumAvg: 3.815 atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } atom: 504 43F-H N 9.053 ambi=1 { N:123.16 } ::sumAvg: 4.315 atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } atom: 752 64V-H N 7.492 ambi=1 { N:124.341 } ::sumAvg: 4.24 atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } atom: 754 64V-HB B 2.176 ambi=1 { CB:33.838 } ::sumAvg: 3.855 atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } atom: 253 23A-HB B 1.119 ambi=1 { CB:21.158 } ::sumAvg: 4.355 atom: 259 24Y-HA A 4.787 ambi=1 { CA:57.008 } atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } ::sumAvg: 2.885 atom: 279 25P-HD2 D 4.019 ambi=2 { CD:50.612 } atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } :: atom: 280 25P-HD3 D 3.829 ambi=2 { CD:50.612 } atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } ::sumAvg: 4.715 atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } :: atom: 470 40K-HG3 G 1.2 ambi=2 { CG:24.559 } atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } ::sumAvg: 4.185 atom: 473 40K-HE2 E 3.154 ambi=2 { CE:42.329 } atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } :: atom: 474 40K-HE3 E 2.873 ambi=2 { CE:42.329 } atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } ::sumAvg: 4.485 atom: 484 41S-HB2 B 3.718 ambi=2 { CB:64.486 } atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } :: atom: 485 41S-HB3 B 3.586 ambi=2 { CB:64.486 } atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } ::sumAvg: 3.93 atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } ::sumAvg: 3.13 atom: 492 42L-HB2 B 1.56 ambi=2 { CB:46.681 } atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } :: atom: 493 42L-HB3 B 1.459 ambi=2 { CB:46.681 } atom: 258 24Y-H N 8.102 ambi=1 { N:124.067 } ::sumAvg: 4.44 atom: 259 24Y-HA A 4.787 ambi=1 { CA:57.008 } atom: 260 24Y-HB2 B 3.233 ambi=2 { CB:37.376 } :: atom: 259 24Y-HA A 4.787 ambi=1 { CA:57.008 } atom: 261 24Y-HB3 B 3.023 ambi=2 { CB:37.376 } ::sumAvg: 2.45 atom: 259 24Y-HA A 4.787 ambi=1 { CA:57.008 } atom: 262 24Y-QD D 7.092 ambi=3 { CD1:132.659 } ::sumAvg: 2.83 atom: 259 24Y-HA A 4.787 ambi=1 { CA:57.008 } atom: 264 24Y-QE E 6.664 ambi=3 { CE1:118.138 } ::sumAvg: 4.655 atom: 259 24Y-HA A 4.787 ambi=1 { CA:57.008 } atom: 277 25P-HG2 G 2.2 ambi=2 { CG:28.139 } :: atom: 259 24Y-HA A 4.787 ambi=1 { CA:57.008 } atom: 278 25P-HG3 G 2.102 ambi=2 { CG:28.139 } ::sumAvg: 4.38 atom: 259 24Y-HA A 4.787 ambi=1 { CA:57.008 } atom: 279 25P-HD2 D 4.019 ambi=2 { CD:50.612 } :: atom: 259 24Y-HA A 4.787 ambi=1 { CA:57.008 } atom: 280 25P-HD3 D 3.829 ambi=2 { CD:50.612 } ::sumAvg: 2.16 atom: 260 24Y-HB2 B 3.233 ambi=2 { CB:37.376 } atom: 264 24Y-QE E 6.664 ambi=3 { CE1:118.138 } :: atom: 261 24Y-HB3 B 3.023 ambi=2 { CB:37.376 } atom: 264 24Y-QE E 6.664 ambi=3 { CE1:118.138 } ::sumAvg: 4.43 atom: 260 24Y-HB2 B 3.233 ambi=2 { CB:37.376 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } :: atom: 261 24Y-HB3 B 3.023 ambi=2 { CB:37.376 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } ::sumAvg: 4.475 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 260 24Y-HB2 B 3.233 ambi=2 { CB:37.376 } :: atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 261 24Y-HB3 B 3.023 ambi=2 { CB:37.376 } ::sumAvg: 4.475 atom: 260 24Y-HB2 B 3.233 ambi=2 { CB:37.376 } atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } :: atom: 260 24Y-HB2 B 3.233 ambi=2 { CB:37.376 } atom: 470 40K-HG3 G 1.2 ambi=2 { CG:24.559 } :: atom: 261 24Y-HB3 B 3.023 ambi=2 { CB:37.376 } atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } :: atom: 261 24Y-HB3 B 3.023 ambi=2 { CB:37.376 } atom: 470 40K-HG3 G 1.2 ambi=2 { CG:24.559 } ::sumAvg: 4.355 atom: 260 24Y-HB2 B 3.233 ambi=2 { CB:37.376 } atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } :: atom: 261 24Y-HB3 B 3.023 ambi=2 { CB:37.376 } atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } ::sumAvg: 4.49 atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 260 24Y-HB2 B 3.233 ambi=2 { CB:37.376 } :: atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 261 24Y-HB3 B 3.023 ambi=2 { CB:37.376 } ::sumAvg: 4.49 atom: 260 24Y-HB2 B 3.233 ambi=2 { CB:37.376 } atom: 484 41S-HB2 B 3.718 ambi=2 { CB:64.486 } :: atom: 261 24Y-HB3 B 3.023 ambi=2 { CB:37.376 } atom: 484 41S-HB2 B 3.718 ambi=2 { CB:64.486 } :: atom: 261 24Y-HB3 B 3.023 ambi=2 { CB:37.376 } atom: 485 41S-HB3 B 3.586 ambi=2 { CB:64.486 } ::sumAvg: 2.165 atom: 260 24Y-HB2 B 3.233 ambi=2 { CB:37.376 } atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } :: atom: 261 24Y-HB3 B 3.023 ambi=2 { CB:37.376 } atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } ::sumAvg: 4.675 atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } atom: 260 24Y-HB2 B 3.233 ambi=2 { CB:37.376 } :: atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } atom: 261 24Y-HB3 B 3.023 ambi=2 { CB:37.376 } ::sumAvg: 4.675 atom: 277 25P-HG2 G 2.2 ambi=2 { CG:28.139 } atom: 262 24Y-QD D 7.092 ambi=3 { CD1:132.659 } :: atom: 278 25P-HG3 G 2.102 ambi=2 { CG:28.139 } atom: 262 24Y-QD D 7.092 ambi=3 { CD1:132.659 } ::sumAvg: 4.98 atom: 279 25P-HD2 D 4.019 ambi=2 { CD:50.612 } atom: 262 24Y-QD D 7.092 ambi=3 { CD1:132.659 } :: atom: 280 25P-HD3 D 3.829 ambi=2 { CD:50.612 } atom: 262 24Y-QD D 7.092 ambi=3 { CD1:132.659 } ::sumAvg: 2.965 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 262 24Y-QD D 7.092 ambi=3 { CD1:132.659 } ::sumAvg: 4.8 atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 262 24Y-QD D 7.092 ambi=3 { CD1:132.659 } ::sumAvg: 4.73 atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } atom: 262 24Y-QD D 7.092 ambi=3 { CD1:132.659 } ::sumAvg: 4.525 atom: 279 25P-HD2 D 4.019 ambi=2 { CD:50.612 } atom: 264 24Y-QE E 6.664 ambi=3 { CE1:118.138 } :: atom: 280 25P-HD3 D 3.829 ambi=2 { CD:50.612 } atom: 264 24Y-QE E 6.664 ambi=3 { CE1:118.138 } ::sumAvg: 4.51 atom: 484 41S-HB2 B 3.718 ambi=2 { CB:64.486 } atom: 264 24Y-QE E 6.664 ambi=3 { CE1:118.138 } :: atom: 485 41S-HB3 B 3.586 ambi=2 { CB:64.486 } atom: 264 24Y-QE E 6.664 ambi=3 { CE1:118.138 } ::sumAvg: 4.375 atom: 274 25P-HA A 4.504 ambi=1 { CA:62.781 } atom: 279 25P-HD2 D 4.019 ambi=2 { CD:50.612 } :: atom: 274 25P-HA A 4.504 ambi=1 { CA:62.781 } atom: 280 25P-HD3 D 3.829 ambi=2 { CD:50.612 } ::sumAvg: 3.63 atom: 279 25P-HD2 D 4.019 ambi=2 { CD:50.612 } atom: 274 25P-HA A 4.504 ambi=1 { CA:62.781 } :: atom: 280 25P-HD3 D 3.829 ambi=2 { CD:50.612 } atom: 274 25P-HA A 4.504 ambi=1 { CA:62.781 } ::sumAvg: 3.63 atom: 274 25P-HA A 4.504 ambi=1 { CA:62.781 } atom: 288 26K-QB B 1.761 ambi=2 { CB:33.355 } ::sumAvg: 4.205 atom: 288 26K-QB B 1.761 ambi=2 { CB:33.355 } atom: 274 25P-HA A 4.504 ambi=1 { CA:62.781 } ::sumAvg: 4.205 atom: 274 25P-HA A 4.504 ambi=1 { CA:62.781 } atom: 290 26K-QG G 1.328 ambi=2 { CG:25.073 } ::sumAvg: 4.915 atom: 290 26K-QG G 1.328 ambi=2 { CG:25.073 } atom: 274 25P-HA A 4.504 ambi=1 { CA:62.781 } ::sumAvg: 4.915 atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } atom: 274 25P-HA A 4.504 ambi=1 { CA:62.781 } :: atom: 470 40K-HG3 G 1.2 ambi=2 { CG:24.559 } atom: 274 25P-HA A 4.504 ambi=1 { CA:62.781 } ::sumAvg: 3.925 atom: 471 40K-HD2 D 1.896 ambi=2 { CD:30.617 } atom: 274 25P-HA A 4.504 ambi=1 { CA:62.781 } :: atom: 472 40K-HD3 D 1.718 ambi=2 { CD:30.617 } atom: 274 25P-HA A 4.504 ambi=1 { CA:62.781 } ::sumAvg: 4.57 atom: 274 25P-HA A 4.504 ambi=1 { CA:62.781 } atom: 473 40K-HE2 E 3.154 ambi=2 { CE:42.329 } :: atom: 274 25P-HA A 4.504 ambi=1 { CA:62.781 } atom: 474 40K-HE3 E 2.873 ambi=2 { CE:42.329 } ::sumAvg: 4.68 atom: 473 40K-HE2 E 3.154 ambi=2 { CE:42.329 } atom: 274 25P-HA A 4.504 ambi=1 { CA:62.781 } :: atom: 474 40K-HE3 E 2.873 ambi=2 { CE:42.329 } atom: 274 25P-HA A 4.504 ambi=1 { CA:62.781 } ::sumAvg: 4.68 atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } atom: 275 25P-HB2 B 2.455 ambi=2 { CB:32.106 } :: atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } atom: 276 25P-HB3 B 1.887 ambi=2 { CB:32.106 } ::sumAvg: 4.95 atom: 275 25P-HB2 B 2.455 ambi=2 { CB:32.106 } atom: 288 26K-QB B 1.761 ambi=2 { CB:33.355 } ::sumAvg: 4.965 atom: 288 26K-QB B 1.761 ambi=2 { CB:33.355 } atom: 275 25P-HB2 B 2.455 ambi=2 { CB:32.106 } ::sumAvg: 4.965 atom: 275 25P-HB2 B 2.455 ambi=2 { CB:32.106 } atom: 307 27K-QG G 1.495 ambi=2 { CG:24.544 } ::sumAvg: 4.79 atom: 307 27K-QG G 1.495 ambi=2 { CG:24.544 } atom: 275 25P-HB2 B 2.455 ambi=2 { CB:32.106 } ::sumAvg: 4.79 atom: 277 25P-HG2 G 2.2 ambi=2 { CG:28.139 } atom: 286 26K-H N 8.728 ambi=1 { N:122.955 } :: atom: 278 25P-HG3 G 2.102 ambi=2 { CG:28.139 } atom: 286 26K-H N 8.728 ambi=1 { N:122.955 } ::sumAvg: 4.835 atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } atom: 286 26K-H N 8.728 ambi=1 { N:122.955 } ::sumAvg: 2.84 atom: 292 26K-HD2 D 1.542 ambi=2 { CD:29.604 } atom: 286 26K-H N 8.728 ambi=1 { N:122.955 } :: atom: 293 26K-HD3 D 1.276 ambi=2 { CD:29.604 } atom: 286 26K-H N 8.728 ambi=1 { N:122.955 } ::sumAvg: 4.385 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 286 26K-H N 8.728 ambi=1 { N:122.955 } ::sumAvg: 4.755 atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } atom: 286 26K-H N 8.728 ambi=1 { N:122.955 } :: atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } atom: 286 26K-H N 8.728 ambi=1 { N:122.955 } ::sumAvg: 4.38 atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } atom: 286 26K-H N 8.728 ambi=1 { N:122.955 } :: atom: 470 40K-HG3 G 1.2 ambi=2 { CG:24.559 } atom: 286 26K-H N 8.728 ambi=1 { N:122.955 } ::sumAvg: 3.59 atom: 471 40K-HD2 D 1.896 ambi=2 { CD:30.617 } atom: 286 26K-H N 8.728 ambi=1 { N:122.955 } :: atom: 472 40K-HD3 D 1.718 ambi=2 { CD:30.617 } atom: 286 26K-H N 8.728 ambi=1 { N:122.955 } ::sumAvg: 3.7 atom: 473 40K-HE2 E 3.154 ambi=2 { CE:42.329 } atom: 286 26K-H N 8.728 ambi=1 { N:122.955 } :: atom: 474 40K-HE3 E 2.873 ambi=2 { CE:42.329 } atom: 286 26K-H N 8.728 ambi=1 { N:122.955 } ::sumAvg: 4.77 atom: 292 26K-HD2 D 1.542 ambi=2 { CD:29.604 } atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } :: atom: 293 26K-HD3 D 1.276 ambi=2 { CD:29.604 } atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } ::sumAvg: 4.46 atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } atom: 307 27K-QG G 1.495 ambi=2 { CG:24.544 } ::sumAvg: 4.705 atom: 307 27K-QG G 1.495 ambi=2 { CG:24.544 } atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } ::sumAvg: 4.705 atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } atom: 451 39L-H N 9.058 ambi=1 { N:119.38 } ::sumAvg: 4.445 atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } :: atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } ::sumAvg: 4.77 atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } :: atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } ::sumAvg: 4.77 atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } atom: 465 40K-H N 8.903 ambi=1 { N:122.261 } ::sumAvg: 4.635 atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } :: atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } ::sumAvg: 2.665 atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } :: atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } atom: 470 40K-HG3 G 1.2 ambi=2 { CG:24.559 } ::sumAvg: 3 atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } :: atom: 470 40K-HG3 G 1.2 ambi=2 { CG:24.559 } atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } ::sumAvg: 3 atom: 471 40K-HD2 D 1.896 ambi=2 { CD:30.617 } atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } :: atom: 472 40K-HD3 D 1.718 ambi=2 { CD:30.617 } atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } ::sumAvg: 3.86 atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } atom: 473 40K-HE2 E 3.154 ambi=2 { CE:42.329 } :: atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } atom: 474 40K-HE3 E 2.873 ambi=2 { CE:42.329 } ::sumAvg: 4.95 atom: 473 40K-HE2 E 3.154 ambi=2 { CE:42.329 } atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } :: atom: 474 40K-HE3 E 2.873 ambi=2 { CE:42.329 } atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } ::sumAvg: 4.95 atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } atom: 482 41S-H N 8.988 ambi=1 { N:123.588 } ::sumAvg: 4.45 atom: 287 26K-HA A 4.57 ambi=1 { CA:57.293 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } ::sumAvg: 3.92 atom: 288 26K-QB B 1.761 ambi=2 { CB:33.355 } atom: 304 27K-HA A 4.795 ambi=1 { CA:54.728 } ::sumAvg: 4.555 atom: 304 27K-HA A 4.795 ambi=1 { CA:54.728 } atom: 288 26K-QB B 1.761 ambi=2 { CB:33.355 } ::sumAvg: 4.555 atom: 288 26K-QB B 1.761 ambi=2 { CB:33.355 } atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } :: atom: 288 26K-QB B 1.761 ambi=2 { CB:33.355 } atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } ::sumAvg: 4.045 atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } atom: 288 26K-QB B 1.761 ambi=2 { CB:33.355 } :: atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } atom: 288 26K-QB B 1.761 ambi=2 { CB:33.355 } ::sumAvg: 4.045 atom: 288 26K-QB B 1.761 ambi=2 { CB:33.355 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } ::sumAvg: 4.045 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 288 26K-QB B 1.761 ambi=2 { CB:33.355 } ::sumAvg: 4.045 atom: 288 26K-QB B 1.761 ambi=2 { CB:33.355 } atom: 470 40K-HG3 G 1.2 ambi=2 { CG:24.559 } ::sumAvg: 3.485 atom: 288 26K-QB B 1.761 ambi=2 { CB:33.355 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } ::sumAvg: 4.84 atom: 288 26K-QB B 1.761 ambi=2 { CB:33.355 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } ::sumAvg: 3.2 atom: 288 26K-QB B 1.761 ambi=2 { CB:33.355 } atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } ::sumAvg: 4.465 atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } atom: 288 26K-QB B 1.761 ambi=2 { CB:33.355 } ::sumAvg: 4.465 atom: 304 27K-HA A 4.795 ambi=1 { CA:54.728 } atom: 290 26K-QG G 1.328 ambi=2 { CG:25.073 } ::sumAvg: 3.88 atom: 290 26K-QG G 1.328 ambi=2 { CG:25.073 } atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } :: atom: 290 26K-QG G 1.328 ambi=2 { CG:25.073 } atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } ::sumAvg: 3.785 atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } atom: 290 26K-QG G 1.328 ambi=2 { CG:25.073 } :: atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } atom: 290 26K-QG G 1.328 ambi=2 { CG:25.073 } ::sumAvg: 3.785 atom: 290 26K-QG G 1.328 ambi=2 { CG:25.073 } atom: 440 38Q-HG2 G 2.301 ambi=2 { CG:32.046 } ::sumAvg: 4.815 atom: 440 38Q-HG2 G 2.301 ambi=2 { CG:32.046 } atom: 290 26K-QG G 1.328 ambi=2 { CG:25.073 } ::sumAvg: 4.815 atom: 290 26K-QG G 1.328 ambi=2 { CG:25.073 } atom: 451 39L-H N 9.058 ambi=1 { N:119.38 } ::sumAvg: 4.165 atom: 290 26K-QG G 1.328 ambi=2 { CG:25.073 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } ::sumAvg: 4.6 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 290 26K-QG G 1.328 ambi=2 { CG:25.073 } ::sumAvg: 4.6 atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } atom: 290 26K-QG G 1.328 ambi=2 { CG:25.073 } :: atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } atom: 290 26K-QG G 1.328 ambi=2 { CG:25.073 } ::sumAvg: 3.36 atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } atom: 290 26K-QG G 1.328 ambi=2 { CG:25.073 } ::sumAvg: 4.35 atom: 290 26K-QG G 1.328 ambi=2 { CG:25.073 } atom: 471 40K-HD2 D 1.896 ambi=2 { CD:30.617 } ::sumAvg: 3.515 atom: 471 40K-HD2 D 1.896 ambi=2 { CD:30.617 } atom: 290 26K-QG G 1.328 ambi=2 { CG:25.073 } ::sumAvg: 3.515 atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } atom: 290 26K-QG G 1.328 ambi=2 { CG:25.073 } ::sumAvg: 4.825 atom: 292 26K-HD2 D 1.542 ambi=2 { CD:29.604 } atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } :: atom: 292 26K-HD2 D 1.542 ambi=2 { CD:29.604 } atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } :: atom: 293 26K-HD3 D 1.276 ambi=2 { CD:29.604 } atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } :: atom: 293 26K-HD3 D 1.276 ambi=2 { CD:29.604 } atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } ::sumAvg: 3.36 atom: 292 26K-HD2 D 1.542 ambi=2 { CD:29.604 } atom: 440 38Q-HG2 G 2.301 ambi=2 { CG:32.046 } :: atom: 293 26K-HD3 D 1.276 ambi=2 { CD:29.604 } atom: 440 38Q-HG2 G 2.301 ambi=2 { CG:32.046 } ::sumAvg: 3.815 atom: 440 38Q-HG2 G 2.301 ambi=2 { CG:32.046 } atom: 292 26K-HD2 D 1.542 ambi=2 { CD:29.604 } :: atom: 440 38Q-HG2 G 2.301 ambi=2 { CG:32.046 } atom: 293 26K-HD3 D 1.276 ambi=2 { CD:29.604 } ::sumAvg: 3.815 atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } atom: 293 26K-HD3 D 1.276 ambi=2 { CD:29.604 } :: atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } atom: 293 26K-HD3 D 1.276 ambi=2 { CD:29.604 } ::sumAvg: 4.185 atom: 293 26K-HD3 D 1.276 ambi=2 { CD:29.604 } atom: 471 40K-HD2 D 1.896 ambi=2 { CD:30.617 } :: atom: 293 26K-HD3 D 1.276 ambi=2 { CD:29.604 } atom: 472 40K-HD3 D 1.718 ambi=2 { CD:30.617 } ::sumAvg: 3.42 atom: 471 40K-HD2 D 1.896 ambi=2 { CD:30.617 } atom: 293 26K-HD3 D 1.276 ambi=2 { CD:29.604 } :: atom: 472 40K-HD3 D 1.718 ambi=2 { CD:30.617 } atom: 293 26K-HD3 D 1.276 ambi=2 { CD:29.604 } ::sumAvg: 3.42 atom: 292 26K-HD2 D 1.542 ambi=2 { CD:29.604 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } :: atom: 293 26K-HD3 D 1.276 ambi=2 { CD:29.604 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } ::sumAvg: 4.86 atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } atom: 292 26K-HD2 D 1.542 ambi=2 { CD:29.604 } :: atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } atom: 293 26K-HD3 D 1.276 ambi=2 { CD:29.604 } ::sumAvg: 4.86 atom: 292 26K-HD2 D 1.542 ambi=2 { CD:29.604 } atom: 715 61D-H N 6.997 ambi=1 { N:112.739 } :: atom: 293 26K-HD3 D 1.276 ambi=2 { CD:29.604 } atom: 715 61D-H N 6.997 ambi=1 { N:112.739 } ::sumAvg: 4.435 atom: 292 26K-HD2 D 1.542 ambi=2 { CD:29.604 } atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } :: atom: 293 26K-HD3 D 1.276 ambi=2 { CD:29.604 } atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } ::sumAvg: 3.11 atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } atom: 292 26K-HD2 D 1.542 ambi=2 { CD:29.604 } :: atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } atom: 293 26K-HD3 D 1.276 ambi=2 { CD:29.604 } ::sumAvg: 3.11 atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } atom: 294 26K-HE2 E 2.919 ambi=2 { CE:42.004 } :: atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } atom: 294 26K-HE2 E 2.919 ambi=2 { CE:42.004 } :: atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } atom: 295 26K-HE3 E 2.739 ambi=2 { CE:42.004 } ::sumAvg: 4.13 atom: 294 26K-HE2 E 2.919 ambi=2 { CE:42.004 } atom: 440 38Q-HG2 G 2.301 ambi=2 { CG:32.046 } :: atom: 294 26K-HE2 E 2.919 ambi=2 { CE:42.004 } atom: 441 38Q-HG3 G 1.639 ambi=2 { CG:32.046 } :: atom: 295 26K-HE3 E 2.739 ambi=2 { CE:42.004 } atom: 440 38Q-HG2 G 2.301 ambi=2 { CG:32.046 } :: atom: 295 26K-HE3 E 2.739 ambi=2 { CE:42.004 } atom: 441 38Q-HG3 G 1.639 ambi=2 { CG:32.046 } ::sumAvg: 4.28 atom: 440 38Q-HG2 G 2.301 ambi=2 { CG:32.046 } atom: 294 26K-HE2 E 2.919 ambi=2 { CE:42.004 } :: atom: 441 38Q-HG3 G 1.639 ambi=2 { CG:32.046 } atom: 294 26K-HE2 E 2.919 ambi=2 { CE:42.004 } :: atom: 440 38Q-HG2 G 2.301 ambi=2 { CG:32.046 } atom: 295 26K-HE3 E 2.739 ambi=2 { CE:42.004 } :: atom: 441 38Q-HG3 G 1.639 ambi=2 { CG:32.046 } atom: 295 26K-HE3 E 2.739 ambi=2 { CE:42.004 } ::sumAvg: 4.28 atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 294 26K-HE2 E 2.919 ambi=2 { CE:42.004 } :: atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 295 26K-HE3 E 2.739 ambi=2 { CE:42.004 } ::sumAvg: 3.84 atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } atom: 294 26K-HE2 E 2.919 ambi=2 { CE:42.004 } :: atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } atom: 295 26K-HE3 E 2.739 ambi=2 { CE:42.004 } ::sumAvg: 4.805 atom: 304 27K-HA A 4.795 ambi=1 { CA:54.728 } atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } ::sumAvg: 2.945 atom: 309 27K-QD D 1.712 ambi=2 { CD:29.169 } atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } ::sumAvg: 4.27 atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } ::sumAvg: 4.955 atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } ::sumAvg: 4.96 atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } :: atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } ::sumAvg: 4.67 atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } ::sumAvg: 4.87 atom: 453 39L-HB2 B 1.382 ambi=2 { CB:44.492 } atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } :: atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } ::sumAvg: 4.385 atom: 455 39L-HG G 1.413 ambi=1 { CG:26.012 } atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } ::sumAvg: 4.62 atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } :: atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } ::sumAvg: 3.92 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } ::sumAvg: 3.45 atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } :: atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } ::sumAvg: 4.15 atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } :: atom: 470 40K-HG3 G 1.2 ambi=2 { CG:24.559 } atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } ::sumAvg: 4.905 atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 303 27K-H N 9.241 ambi=1 { N:124.071 } ::sumAvg: 4.145 atom: 304 27K-HA A 4.795 ambi=1 { CA:54.728 } atom: 305 27K-HB2 B 1.888 ambi=2 { CB:36.069 } :: atom: 304 27K-HA A 4.795 ambi=1 { CA:54.728 } atom: 306 27K-HB3 B 1.742 ambi=2 { CB:36.069 } ::sumAvg: 2.445 atom: 304 27K-HA A 4.795 ambi=1 { CA:54.728 } atom: 307 27K-QG G 1.495 ambi=2 { CG:24.544 } ::sumAvg: 2.63 atom: 304 27K-HA A 4.795 ambi=1 { CA:54.728 } atom: 309 27K-QD D 1.712 ambi=2 { CD:29.169 } ::sumAvg: 3.07 atom: 304 27K-HA A 4.795 ambi=1 { CA:54.728 } atom: 311 27K-QE E 2.989 ambi=2 { CE:42.182 } ::sumAvg: 4.38 atom: 304 27K-HA A 4.795 ambi=1 { CA:54.728 } atom: 320 28E-H N 8.547 ambi=1 { N:121.689 } ::sumAvg: 2.39 atom: 304 27K-HA A 4.795 ambi=1 { CA:54.728 } atom: 322 28E-QB B 2.02 ambi=2 { CB:32.453 } ::sumAvg: 4.34 atom: 322 28E-QB B 2.02 ambi=2 { CB:32.453 } atom: 304 27K-HA A 4.795 ambi=1 { CA:54.728 } ::sumAvg: 4.34 atom: 304 27K-HA A 4.795 ambi=1 { CA:54.728 } atom: 324 28E-HG2 G 2.294 ambi=2 { CG:37.24 } :: atom: 304 27K-HA A 4.795 ambi=1 { CA:54.728 } atom: 325 28E-HG3 G 2.243 ambi=2 { CG:37.24 } ::sumAvg: 4.925 atom: 324 28E-HG2 G 2.294 ambi=2 { CG:37.24 } atom: 304 27K-HA A 4.795 ambi=1 { CA:54.728 } :: atom: 325 28E-HG3 G 2.243 ambi=2 { CG:37.24 } atom: 304 27K-HA A 4.795 ambi=1 { CA:54.728 } ::sumAvg: 4.925 atom: 304 27K-HA A 4.795 ambi=1 { CA:54.728 } atom: 451 39L-H N 9.058 ambi=1 { N:119.38 } ::sumAvg: 4.76 atom: 305 27K-HB2 B 1.888 ambi=2 { CB:36.069 } atom: 311 27K-QE E 2.989 ambi=2 { CE:42.182 } :: atom: 306 27K-HB3 B 1.742 ambi=2 { CB:36.069 } atom: 311 27K-QE E 2.989 ambi=2 { CE:42.182 } ::sumAvg: 3.945 atom: 305 27K-HB2 B 1.888 ambi=2 { CB:36.069 } atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } :: atom: 306 27K-HB3 B 1.742 ambi=2 { CB:36.069 } atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } ::sumAvg: 4.655 atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } atom: 305 27K-HB2 B 1.888 ambi=2 { CB:36.069 } :: atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } atom: 306 27K-HB3 B 1.742 ambi=2 { CB:36.069 } ::sumAvg: 4.655 atom: 305 27K-HB2 B 1.888 ambi=2 { CB:36.069 } atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } :: atom: 306 27K-HB3 B 1.742 ambi=2 { CB:36.069 } atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } ::sumAvg: 4.77 atom: 453 39L-HB2 B 1.382 ambi=2 { CB:44.492 } atom: 305 27K-HB2 B 1.888 ambi=2 { CB:36.069 } :: atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } atom: 305 27K-HB2 B 1.888 ambi=2 { CB:36.069 } :: atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } atom: 306 27K-HB3 B 1.742 ambi=2 { CB:36.069 } ::sumAvg: 4.61 atom: 305 27K-HB2 B 1.888 ambi=2 { CB:36.069 } atom: 455 39L-HG G 1.413 ambi=1 { CG:26.012 } ::sumAvg: 4.665 atom: 455 39L-HG G 1.413 ambi=1 { CG:26.012 } atom: 305 27K-HB2 B 1.888 ambi=2 { CB:36.069 } ::sumAvg: 4.665 atom: 307 27K-QG G 1.495 ambi=2 { CG:24.544 } atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } ::sumAvg: 4.965 atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } atom: 307 27K-QG G 1.495 ambi=2 { CG:24.544 } ::sumAvg: 4.965 atom: 307 27K-QG G 1.495 ambi=2 { CG:24.544 } atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } ::sumAvg: 4.9 atom: 309 27K-QD D 1.712 ambi=2 { CD:29.169 } atom: 320 28E-H N 8.547 ambi=1 { N:121.689 } ::sumAvg: 4.115 atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } atom: 320 28E-H N 8.547 ambi=1 { N:121.689 } ::sumAvg: 4.955 atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } atom: 333 29F-HB2 B 3.174 ambi=2 { CB:41.617 } :: atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } atom: 334 29F-HB3 B 2.967 ambi=2 { CB:41.617 } ::sumAvg: 4.39 atom: 333 29F-HB2 B 3.174 ambi=2 { CB:41.617 } atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } :: atom: 334 29F-HB3 B 2.967 ambi=2 { CB:41.617 } atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } ::sumAvg: 4.39 atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } ::sumAvg: 3.395 atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } atom: 337 29F-QE E 7.341 ambi=3 { CE1:131.108 } ::sumAvg: 4.76 atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } :: atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } ::sumAvg: 4.47 atom: 440 38Q-HG2 G 2.301 ambi=2 { CG:32.046 } atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } :: atom: 441 38Q-HG3 G 1.639 ambi=2 { CG:32.046 } atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } ::sumAvg: 4.295 atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } atom: 451 39L-H N 9.058 ambi=1 { N:119.38 } ::sumAvg: 3.415 atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } atom: 453 39L-HB2 B 1.382 ambi=2 { CB:44.492 } :: atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } ::sumAvg: 4.905 atom: 453 39L-HB2 B 1.382 ambi=2 { CB:44.492 } atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } :: atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } atom: 321 28E-HA A 5.151 ambi=1 { CA:55.179 } ::sumAvg: 4.905 atom: 322 28E-QB B 2.02 ambi=2 { CB:32.453 } atom: 332 29F-HA A 5.053 ambi=1 { CA:56.071 } ::sumAvg: 4.22 atom: 332 29F-HA A 5.053 ambi=1 { CA:56.071 } atom: 322 28E-QB B 2.02 ambi=2 { CB:32.453 } ::sumAvg: 4.22 atom: 322 28E-QB B 2.02 ambi=2 { CB:32.453 } atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } ::sumAvg: 4.88 atom: 322 28E-QB B 2.02 ambi=2 { CB:32.453 } atom: 430 37G-H N 8.225 ambi=1 { N:111.135 } ::sumAvg: 4.78 atom: 322 28E-QB B 2.02 ambi=2 { CB:32.453 } atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } ::sumAvg: 4.42 atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } atom: 322 28E-QB B 2.02 ambi=2 { CB:32.453 } ::sumAvg: 4.42 atom: 324 28E-HG2 G 2.294 ambi=2 { CG:37.24 } atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } :: atom: 325 28E-HG3 G 2.243 ambi=2 { CG:37.24 } atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } ::sumAvg: 3.985 atom: 324 28E-HG2 G 2.294 ambi=2 { CG:37.24 } atom: 441 38Q-HG3 G 1.639 ambi=2 { CG:32.046 } :: atom: 325 28E-HG3 G 2.243 ambi=2 { CG:37.24 } atom: 441 38Q-HG3 G 1.639 ambi=2 { CG:32.046 } ::sumAvg: 4.44 atom: 324 28E-HG2 G 2.294 ambi=2 { CG:37.24 } atom: 442 38Q-HE21 E2 7.276 ambi=1 { NE2:112.841 } :: atom: 324 28E-HG2 G 2.294 ambi=2 { CG:37.24 } atom: 443 38Q-HE22 E2 7.017 ambi=1 { NE2:112.841 } :: atom: 325 28E-HG3 G 2.243 ambi=2 { CG:37.24 } atom: 442 38Q-HE21 E2 7.276 ambi=1 { NE2:112.841 } :: atom: 325 28E-HG3 G 2.243 ambi=2 { CG:37.24 } atom: 443 38Q-HE22 E2 7.017 ambi=1 { NE2:112.841 } ::sumAvg: 3.935 atom: 350 30S-HA A 4.938 ambi=1 { CA:57.827 } atom: 331 29F-H N 8.174 ambi=1 { N:119.486 } ::sumAvg: 4.825 atom: 431 37G-HA2 A 4.424 ambi=2 { CA:43.812 } atom: 331 29F-H N 8.174 ambi=1 { N:119.486 } :: atom: 432 37G-HA3 A 3.076 ambi=2 { CA:43.812 } atom: 331 29F-H N 8.174 ambi=1 { N:119.486 } ::sumAvg: 4.45 atom: 332 29F-HA A 5.053 ambi=1 { CA:56.071 } atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } ::sumAvg: 3.27 atom: 332 29F-HA A 5.053 ambi=1 { CA:56.071 } atom: 351 30S-HB2 B 3.837 ambi=2 { CB:64.459 } :: atom: 332 29F-HA A 5.053 ambi=1 { CA:56.071 } atom: 352 30S-HB3 B 3.767 ambi=2 { CB:64.459 } ::sumAvg: 4.555 atom: 333 29F-HB2 B 3.174 ambi=2 { CB:41.617 } atom: 337 29F-QE E 7.341 ambi=3 { CE1:131.108 } :: atom: 334 29F-HB3 B 2.967 ambi=2 { CB:41.617 } atom: 337 29F-QE E 7.341 ambi=3 { CE1:131.108 } ::sumAvg: 4.38 atom: 333 29F-HB2 B 3.174 ambi=2 { CB:41.617 } atom: 350 30S-HA A 4.938 ambi=1 { CA:57.827 } :: atom: 334 29F-HB3 B 2.967 ambi=2 { CB:41.617 } atom: 350 30S-HA A 4.938 ambi=1 { CA:57.827 } ::sumAvg: 4.8 atom: 350 30S-HA A 4.938 ambi=1 { CA:57.827 } atom: 333 29F-HB2 B 3.174 ambi=2 { CB:41.617 } :: atom: 350 30S-HA A 4.938 ambi=1 { CA:57.827 } atom: 334 29F-HB3 B 2.967 ambi=2 { CB:41.617 } ::sumAvg: 4.8 atom: 333 29F-HB2 B 3.174 ambi=2 { CB:41.617 } atom: 351 30S-HB2 B 3.837 ambi=2 { CB:64.459 } :: atom: 333 29F-HB2 B 3.174 ambi=2 { CB:41.617 } atom: 352 30S-HB3 B 3.767 ambi=2 { CB:64.459 } :: atom: 334 29F-HB3 B 2.967 ambi=2 { CB:41.617 } atom: 351 30S-HB2 B 3.837 ambi=2 { CB:64.459 } :: atom: 334 29F-HB3 B 2.967 ambi=2 { CB:41.617 } atom: 352 30S-HB3 B 3.767 ambi=2 { CB:64.459 } ::sumAvg: 4.84 atom: 351 30S-HB2 B 3.837 ambi=2 { CB:64.459 } atom: 333 29F-HB2 B 3.174 ambi=2 { CB:41.617 } :: atom: 352 30S-HB3 B 3.767 ambi=2 { CB:64.459 } atom: 333 29F-HB2 B 3.174 ambi=2 { CB:41.617 } :: atom: 351 30S-HB2 B 3.837 ambi=2 { CB:64.459 } atom: 334 29F-HB3 B 2.967 ambi=2 { CB:41.617 } :: atom: 352 30S-HB3 B 3.767 ambi=2 { CB:64.459 } atom: 334 29F-HB3 B 2.967 ambi=2 { CB:41.617 } ::sumAvg: 4.84 atom: 453 39L-HB2 B 1.382 ambi=2 { CB:44.492 } atom: 333 29F-HB2 B 3.174 ambi=2 { CB:41.617 } :: atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } atom: 333 29F-HB2 B 3.174 ambi=2 { CB:41.617 } :: atom: 453 39L-HB2 B 1.382 ambi=2 { CB:44.492 } atom: 334 29F-HB3 B 2.967 ambi=2 { CB:41.617 } :: atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } atom: 334 29F-HB3 B 2.967 ambi=2 { CB:41.617 } ::sumAvg: 4.525 atom: 333 29F-HB2 B 3.174 ambi=2 { CB:41.617 } atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } :: atom: 333 29F-HB2 B 3.174 ambi=2 { CB:41.617 } atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } :: atom: 334 29F-HB3 B 2.967 ambi=2 { CB:41.617 } atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } :: atom: 334 29F-HB3 B 2.967 ambi=2 { CB:41.617 } atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } ::sumAvg: 4.305 atom: 350 30S-HA A 4.938 ambi=1 { CA:57.827 } atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } ::sumAvg: 4.87 atom: 351 30S-HB2 B 3.837 ambi=2 { CB:64.459 } atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } :: atom: 352 30S-HB3 B 3.767 ambi=2 { CB:64.459 } atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } ::sumAvg: 4.855 atom: 358 31R-HA A 4.633 ambi=1 { CA:55.863 } atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } ::sumAvg: 4.825 atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } ::sumAvg: 4.695 atom: 431 37G-HA2 A 4.424 ambi=2 { CA:43.812 } atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } :: atom: 432 37G-HA3 A 3.076 ambi=2 { CA:43.812 } atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } ::sumAvg: 4.92 atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } ::sumAvg: 4.94 atom: 453 39L-HB2 B 1.382 ambi=2 { CB:44.492 } atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } :: atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } ::sumAvg: 2.94 atom: 455 39L-HG G 1.413 ambi=1 { CG:26.012 } atom: 335 29F-QD D 6.933 ambi=3 { CD1:132.509 } ::sumAvg: 4.36 atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } atom: 337 29F-QE E 7.341 ambi=3 { CE1:131.108 } ::sumAvg: 4.02 atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } atom: 337 29F-QE E 7.341 ambi=3 { CE1:131.108 } ::sumAvg: 4.025 atom: 453 39L-HB2 B 1.382 ambi=2 { CB:44.492 } atom: 337 29F-QE E 7.341 ambi=3 { CE1:131.108 } :: atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } atom: 337 29F-QE E 7.341 ambi=3 { CE1:131.108 } ::sumAvg: 2.585 atom: 455 39L-HG G 1.413 ambi=1 { CG:26.012 } atom: 337 29F-QE E 7.341 ambi=3 { CE1:131.108 } ::sumAvg: 4.31 atom: 453 39L-HB2 B 1.382 ambi=2 { CB:44.492 } atom: 339 29F-HZ Z 7.561 ambi=1 { CZ:129.952 } :: atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } atom: 339 29F-HZ Z 7.561 ambi=1 { CZ:129.952 } ::sumAvg: 4.11 atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } atom: 339 29F-HZ Z 7.561 ambi=1 { CZ:129.952 } :: atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } atom: 339 29F-HZ Z 7.561 ambi=1 { CZ:129.952 } ::sumAvg: 4.345 atom: 350 30S-HA A 4.938 ambi=1 { CA:57.827 } atom: 349 30S-H N 8.793 ambi=1 { N:116.274 } ::sumAvg: 2.91 atom: 350 30S-HA A 4.938 ambi=1 { CA:57.827 } atom: 351 30S-HB2 B 3.837 ambi=2 { CB:64.459 } :: atom: 350 30S-HA A 4.938 ambi=1 { CA:57.827 } atom: 352 30S-HB3 B 3.767 ambi=2 { CB:64.459 } ::sumAvg: 2.435 atom: 350 30S-HA A 4.938 ambi=1 { CA:57.827 } atom: 357 31R-H N 8.913 ambi=1 { N:123.734 } ::sumAvg: 2.26 atom: 350 30S-HA A 4.938 ambi=1 { CA:57.827 } atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } ::sumAvg: 4.2 atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } atom: 350 30S-HA A 4.938 ambi=1 { CA:57.827 } ::sumAvg: 4.2 atom: 350 30S-HA A 4.938 ambi=1 { CA:57.827 } atom: 430 37G-H N 8.225 ambi=1 { N:111.135 } ::sumAvg: 4.575 atom: 358 31R-HA A 4.633 ambi=1 { CA:55.863 } atom: 357 31R-H N 8.913 ambi=1 { N:123.734 } ::sumAvg: 2.885 atom: 363 31R-HD2 D 3.16 ambi=2 { CD:43.392 } atom: 357 31R-H N 8.913 ambi=1 { N:123.734 } :: atom: 364 31R-HD3 D 3.105 ambi=2 { CD:43.392 } atom: 357 31R-H N 8.913 ambi=1 { N:123.734 } ::sumAvg: 4.75 atom: 399 34G-HA2 A 4.347 ambi=2 { CA:45.321 } atom: 357 31R-H N 8.913 ambi=1 { N:123.734 } :: atom: 400 34G-HA3 A 3.723 ambi=2 { CA:45.321 } atom: 357 31R-H N 8.913 ambi=1 { N:123.734 } ::sumAvg: 4.765 atom: 405 35T-HA A 4.384 ambi=1 { CA:62.077 } atom: 357 31R-H N 8.913 ambi=1 { N:123.734 } ::sumAvg: 4.06 atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } atom: 357 31R-H N 8.913 ambi=1 { N:123.734 } ::sumAvg: 4.965 atom: 431 37G-HA2 A 4.424 ambi=2 { CA:43.812 } atom: 357 31R-H N 8.913 ambi=1 { N:123.734 } :: atom: 432 37G-HA3 A 3.076 ambi=2 { CA:43.812 } atom: 357 31R-H N 8.913 ambi=1 { N:123.734 } ::sumAvg: 4.96 atom: 358 31R-HA A 4.633 ambi=1 { CA:55.863 } atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } ::sumAvg: 2.305 atom: 358 31R-HA A 4.633 ambi=1 { CA:55.863 } atom: 361 31R-HG2 G 1.657 ambi=2 { CG:28.724 } :: atom: 358 31R-HA A 4.633 ambi=1 { CA:55.863 } atom: 362 31R-HG3 G 1.5 ambi=2 { CG:28.724 } ::sumAvg: 2.73 atom: 358 31R-HA A 4.633 ambi=1 { CA:55.863 } atom: 363 31R-HD2 D 3.16 ambi=2 { CD:43.392 } :: atom: 358 31R-HA A 4.633 ambi=1 { CA:55.863 } atom: 364 31R-HD3 D 3.105 ambi=2 { CD:43.392 } ::sumAvg: 3.425 atom: 363 31R-HD2 D 3.16 ambi=2 { CD:43.392 } atom: 358 31R-HA A 4.633 ambi=1 { CA:55.863 } :: atom: 364 31R-HD3 D 3.105 ambi=2 { CD:43.392 } atom: 358 31R-HA A 4.633 ambi=1 { CA:55.863 } ::sumAvg: 3.425 atom: 358 31R-HA A 4.633 ambi=1 { CA:55.863 } atom: 373 32K-H N 8.896 ambi=1 { N:122.362 } ::sumAvg: 2.3 atom: 358 31R-HA A 4.633 ambi=1 { CA:55.863 } atom: 374 32K-HA A 4.095 ambi=1 { CA:59.147 } ::sumAvg: 4.345 atom: 374 32K-HA A 4.095 ambi=1 { CA:59.147 } atom: 358 31R-HA A 4.633 ambi=1 { CA:55.863 } ::sumAvg: 4.345 atom: 358 31R-HA A 4.633 ambi=1 { CA:55.863 } atom: 375 32K-QB B 1.89 ambi=2 { CB:31.898 } ::sumAvg: 4.335 atom: 375 32K-QB B 1.89 ambi=2 { CB:31.898 } atom: 358 31R-HA A 4.633 ambi=1 { CA:55.863 } ::sumAvg: 4.335 atom: 358 31R-HA A 4.633 ambi=1 { CA:55.863 } atom: 390 33D-H N 7.634 ambi=1 { N:115.529 } ::sumAvg: 4.065 atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } atom: 365 31R-HE E 7.184 ambi=1 { NE:84.776 } ::sumAvg: 3.33 atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } atom: 374 32K-HA A 4.095 ambi=1 { CA:59.147 } ::sumAvg: 4.74 atom: 374 32K-HA A 4.095 ambi=1 { CA:59.147 } atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } ::sumAvg: 4.74 atom: 392 33D-HB2 B 3.129 ambi=2 { CB:40.064 } atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } :: atom: 393 33D-HB3 B 2.591 ambi=2 { CB:40.064 } atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } ::sumAvg: 4.235 atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } atom: 398 34G-H N 8.084 ambi=1 { N:107.892 } ::sumAvg: 3.455 atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } atom: 399 34G-HA2 A 4.347 ambi=2 { CA:45.321 } :: atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } atom: 400 34G-HA3 A 3.723 ambi=2 { CA:45.321 } ::sumAvg: 3.815 atom: 399 34G-HA2 A 4.347 ambi=2 { CA:45.321 } atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } :: atom: 400 34G-HA3 A 3.723 ambi=2 { CA:45.321 } atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } ::sumAvg: 3.815 atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } atom: 404 35T-H N 8.02 ambi=1 { N:113.323 } ::sumAvg: 3.16 atom: 405 35T-HA A 4.384 ambi=1 { CA:62.077 } atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } ::sumAvg: 4.095 atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } atom: 406 35T-HB B 4.261 ambi=1 { CB:70.956 } ::sumAvg: 4.345 atom: 406 35T-HB B 4.261 ambi=1 { CB:70.956 } atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } ::sumAvg: 4.345 atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } atom: 407 35T-HG2 G2 1.178 ambi=1 { CG2:21.744 } ::sumAvg: 3.945 atom: 407 35T-HG2 G2 1.178 ambi=1 { CG2:21.744 } atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } ::sumAvg: 3.945 atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } atom: 413 36K-H N 8.42 ambi=1 { N:119.442 } ::sumAvg: 4.66 atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } ::sumAvg: 4.615 atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } ::sumAvg: 4.615 atom: 359 31R-QB B 1.963 ambi=2 { CB:31.642 } atom: 430 37G-H N 8.225 ambi=1 { N:111.135 } ::sumAvg: 4.03 atom: 361 31R-HG2 G 1.657 ambi=2 { CG:28.724 } atom: 365 31R-HE E 7.184 ambi=1 { NE:84.776 } :: atom: 362 31R-HG3 G 1.5 ambi=2 { CG:28.724 } atom: 365 31R-HE E 7.184 ambi=1 { NE:84.776 } ::sumAvg: 3.05 atom: 361 31R-HG2 G 1.657 ambi=2 { CG:28.724 } atom: 390 33D-H N 7.634 ambi=1 { N:115.529 } :: atom: 362 31R-HG3 G 1.5 ambi=2 { CG:28.724 } atom: 390 33D-H N 7.634 ambi=1 { N:115.529 } ::sumAvg: 3.6 atom: 392 33D-HB2 B 3.129 ambi=2 { CB:40.064 } atom: 361 31R-HG2 G 1.657 ambi=2 { CG:28.724 } :: atom: 393 33D-HB3 B 2.591 ambi=2 { CB:40.064 } atom: 361 31R-HG2 G 1.657 ambi=2 { CG:28.724 } :: atom: 392 33D-HB2 B 3.129 ambi=2 { CB:40.064 } atom: 362 31R-HG3 G 1.5 ambi=2 { CG:28.724 } :: atom: 393 33D-HB3 B 2.591 ambi=2 { CB:40.064 } atom: 362 31R-HG3 G 1.5 ambi=2 { CG:28.724 } ::sumAvg: 4.91 atom: 361 31R-HG2 G 1.657 ambi=2 { CG:28.724 } atom: 398 34G-H N 8.084 ambi=1 { N:107.892 } :: atom: 362 31R-HG3 G 1.5 ambi=2 { CG:28.724 } atom: 398 34G-H N 8.084 ambi=1 { N:107.892 } ::sumAvg: 4.385 atom: 361 31R-HG2 G 1.657 ambi=2 { CG:28.724 } atom: 404 35T-H N 8.02 ambi=1 { N:113.323 } :: atom: 362 31R-HG3 G 1.5 ambi=2 { CG:28.724 } atom: 404 35T-H N 8.02 ambi=1 { N:113.323 } ::sumAvg: 4.535 atom: 363 31R-HD2 D 3.16 ambi=2 { CD:43.392 } atom: 373 32K-H N 8.896 ambi=1 { N:122.362 } :: atom: 364 31R-HD3 D 3.105 ambi=2 { CD:43.392 } atom: 373 32K-H N 8.896 ambi=1 { N:122.362 } ::sumAvg: 4.19 atom: 363 31R-HD2 D 3.16 ambi=2 { CD:43.392 } atom: 390 33D-H N 7.634 ambi=1 { N:115.529 } :: atom: 364 31R-HD3 D 3.105 ambi=2 { CD:43.392 } atom: 390 33D-H N 7.634 ambi=1 { N:115.529 } ::sumAvg: 4.195 atom: 363 31R-HD2 D 3.16 ambi=2 { CD:43.392 } atom: 393 33D-HB3 B 2.591 ambi=2 { CB:40.064 } :: atom: 364 31R-HD3 D 3.105 ambi=2 { CD:43.392 } atom: 393 33D-HB3 B 2.591 ambi=2 { CB:40.064 } ::sumAvg: 4.335 atom: 363 31R-HD2 D 3.16 ambi=2 { CD:43.392 } atom: 407 35T-HG2 G2 1.178 ambi=1 { CG2:21.744 } :: atom: 364 31R-HD3 D 3.105 ambi=2 { CD:43.392 } atom: 407 35T-HG2 G2 1.178 ambi=1 { CG2:21.744 } ::sumAvg: 4.985 atom: 407 35T-HG2 G2 1.178 ambi=1 { CG2:21.744 } atom: 363 31R-HD2 D 3.16 ambi=2 { CD:43.392 } :: atom: 407 35T-HG2 G2 1.178 ambi=1 { CG2:21.744 } atom: 364 31R-HD3 D 3.105 ambi=2 { CD:43.392 } ::sumAvg: 4.985 atom: 377 32K-HG2 G 1.546 ambi=2 { CG:24.799 } atom: 373 32K-H N 8.896 ambi=1 { N:122.362 } :: atom: 378 32K-HG3 G 1.52 ambi=2 { CG:24.799 } atom: 373 32K-H N 8.896 ambi=1 { N:122.362 } ::sumAvg: 3.38 atom: 379 32K-QD D 1.712 ambi=2 { CD:28.986 } atom: 373 32K-H N 8.896 ambi=1 { N:122.362 } ::sumAvg: 4.08 atom: 379 32K-QD D 1.712 ambi=2 { CD:28.986 } atom: 374 32K-HA A 4.095 ambi=1 { CA:59.147 } ::sumAvg: 3.99 atom: 374 32K-HA A 4.095 ambi=1 { CA:59.147 } atom: 381 32K-QE E 3.012 ambi=2 { CE:42.166 } ::sumAvg: 4.605 atom: 381 32K-QE E 3.012 ambi=2 { CE:42.166 } atom: 374 32K-HA A 4.095 ambi=1 { CA:59.147 } ::sumAvg: 4.605 atom: 374 32K-HA A 4.095 ambi=1 { CA:59.147 } atom: 391 33D-HA A 4.516 ambi=1 { CA:53.321 } ::sumAvg: 4.735 atom: 391 33D-HA A 4.516 ambi=1 { CA:53.321 } atom: 374 32K-HA A 4.095 ambi=1 { CA:59.147 } ::sumAvg: 4.735 atom: 374 32K-HA A 4.095 ambi=1 { CA:59.147 } atom: 398 34G-H N 8.084 ambi=1 { N:107.892 } ::sumAvg: 4.145 atom: 375 32K-QB B 1.89 ambi=2 { CB:31.898 } atom: 381 32K-QE E 3.012 ambi=2 { CE:42.166 } ::sumAvg: 3.54 atom: 381 32K-QE E 3.012 ambi=2 { CE:42.166 } atom: 375 32K-QB B 1.89 ambi=2 { CB:31.898 } ::sumAvg: 3.54 atom: 391 33D-HA A 4.516 ambi=1 { CA:53.321 } atom: 375 32K-QB B 1.89 ambi=2 { CB:31.898 } ::sumAvg: 4.21 atom: 375 32K-QB B 1.89 ambi=2 { CB:31.898 } atom: 392 33D-HB2 B 3.129 ambi=2 { CB:40.064 } :: atom: 375 32K-QB B 1.89 ambi=2 { CB:31.898 } atom: 393 33D-HB3 B 2.591 ambi=2 { CB:40.064 } ::sumAvg: 4.525 atom: 392 33D-HB2 B 3.129 ambi=2 { CB:40.064 } atom: 375 32K-QB B 1.89 ambi=2 { CB:31.898 } :: atom: 393 33D-HB3 B 2.591 ambi=2 { CB:40.064 } atom: 375 32K-QB B 1.89 ambi=2 { CB:31.898 } ::sumAvg: 4.525 atom: 375 32K-QB B 1.89 ambi=2 { CB:31.898 } atom: 398 34G-H N 8.084 ambi=1 { N:107.892 } ::sumAvg: 4.765 atom: 377 32K-HG2 G 1.546 ambi=2 { CG:24.799 } atom: 390 33D-H N 7.634 ambi=1 { N:115.529 } :: atom: 378 32K-HG3 G 1.52 ambi=2 { CG:24.799 } atom: 390 33D-H N 7.634 ambi=1 { N:115.529 } ::sumAvg: 4.105 atom: 379 32K-QD D 1.712 ambi=2 { CD:28.986 } atom: 390 33D-H N 7.634 ambi=1 { N:115.529 } ::sumAvg: 4.805 atom: 399 34G-HA2 A 4.347 ambi=2 { CA:45.321 } atom: 390 33D-H N 7.634 ambi=1 { N:115.529 } :: atom: 400 34G-HA3 A 3.723 ambi=2 { CA:45.321 } atom: 390 33D-H N 7.634 ambi=1 { N:115.529 } ::sumAvg: 4.84 atom: 391 33D-HA A 4.516 ambi=1 { CA:53.321 } atom: 400 34G-HA3 A 3.723 ambi=2 { CA:45.321 } ::sumAvg: 4.485 atom: 400 34G-HA3 A 3.723 ambi=2 { CA:45.321 } atom: 391 33D-HA A 4.516 ambi=1 { CA:53.321 } ::sumAvg: 4.485 atom: 391 33D-HA A 4.516 ambi=1 { CA:53.321 } atom: 404 35T-H N 8.02 ambi=1 { N:113.323 } ::sumAvg: 4.575 atom: 392 33D-HB2 B 3.129 ambi=2 { CB:40.064 } atom: 398 34G-H N 8.084 ambi=1 { N:107.892 } :: atom: 393 33D-HB3 B 2.591 ambi=2 { CB:40.064 } atom: 398 34G-H N 8.084 ambi=1 { N:107.892 } ::sumAvg: 3.6 atom: 392 33D-HB2 B 3.129 ambi=2 { CB:40.064 } atom: 399 34G-HA2 A 4.347 ambi=2 { CA:45.321 } :: atom: 392 33D-HB2 B 3.129 ambi=2 { CB:40.064 } atom: 400 34G-HA3 A 3.723 ambi=2 { CA:45.321 } :: atom: 393 33D-HB3 B 2.591 ambi=2 { CB:40.064 } atom: 399 34G-HA2 A 4.347 ambi=2 { CA:45.321 } :: atom: 393 33D-HB3 B 2.591 ambi=2 { CB:40.064 } atom: 400 34G-HA3 A 3.723 ambi=2 { CA:45.321 } ::sumAvg: 4.845 atom: 399 34G-HA2 A 4.347 ambi=2 { CA:45.321 } atom: 392 33D-HB2 B 3.129 ambi=2 { CB:40.064 } :: atom: 400 34G-HA3 A 3.723 ambi=2 { CA:45.321 } atom: 392 33D-HB2 B 3.129 ambi=2 { CB:40.064 } :: atom: 399 34G-HA2 A 4.347 ambi=2 { CA:45.321 } atom: 393 33D-HB3 B 2.591 ambi=2 { CB:40.064 } :: atom: 400 34G-HA3 A 3.723 ambi=2 { CA:45.321 } atom: 393 33D-HB3 B 2.591 ambi=2 { CB:40.064 } ::sumAvg: 4.845 atom: 392 33D-HB2 B 3.129 ambi=2 { CB:40.064 } atom: 404 35T-H N 8.02 ambi=1 { N:113.323 } :: atom: 393 33D-HB3 B 2.591 ambi=2 { CB:40.064 } atom: 404 35T-H N 8.02 ambi=1 { N:113.323 } ::sumAvg: 4.405 atom: 405 35T-HA A 4.384 ambi=1 { CA:62.077 } atom: 398 34G-H N 8.084 ambi=1 { N:107.892 } ::sumAvg: 4.65 atom: 407 35T-HG2 G2 1.178 ambi=1 { CG2:21.744 } atom: 398 34G-H N 8.084 ambi=1 { N:107.892 } ::sumAvg: 4.545 atom: 399 34G-HA2 A 4.347 ambi=2 { CA:45.321 } atom: 404 35T-H N 8.02 ambi=1 { N:113.323 } :: atom: 400 34G-HA3 A 3.723 ambi=2 { CA:45.321 } atom: 404 35T-H N 8.02 ambi=1 { N:113.323 } ::sumAvg: 2.995 atom: 405 35T-HA A 4.384 ambi=1 { CA:62.077 } atom: 400 34G-HA3 A 3.723 ambi=2 { CA:45.321 } ::sumAvg: 4.665 atom: 399 34G-HA2 A 4.347 ambi=2 { CA:45.321 } atom: 407 35T-HG2 G2 1.178 ambi=1 { CG2:21.744 } :: atom: 400 34G-HA3 A 3.723 ambi=2 { CA:45.321 } atom: 407 35T-HG2 G2 1.178 ambi=1 { CG2:21.744 } ::sumAvg: 4.645 atom: 406 35T-HB B 4.261 ambi=1 { CB:70.956 } atom: 404 35T-H N 8.02 ambi=1 { N:113.323 } ::sumAvg: 3.32 atom: 405 35T-HA A 4.384 ambi=1 { CA:62.077 } atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } ::sumAvg: 4.44 atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } atom: 405 35T-HA A 4.384 ambi=1 { CA:62.077 } ::sumAvg: 4.44 atom: 415 36K-QB B 1.71 ambi=2 { CB:34.393 } atom: 405 35T-HA A 4.384 ambi=1 { CA:62.077 } ::sumAvg: 4.355 atom: 406 35T-HB B 4.261 ambi=1 { CB:70.956 } atom: 415 36K-QB B 1.71 ambi=2 { CB:34.393 } ::sumAvg: 4.84 atom: 415 36K-QB B 1.71 ambi=2 { CB:34.393 } atom: 406 35T-HB B 4.261 ambi=1 { CB:70.956 } ::sumAvg: 4.84 atom: 407 35T-HG2 G2 1.178 ambi=1 { CG2:21.744 } atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } ::sumAvg: 4.61 atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } atom: 407 35T-HG2 G2 1.178 ambi=1 { CG2:21.744 } ::sumAvg: 4.61 atom: 407 35T-HG2 G2 1.178 ambi=1 { CG2:21.744 } atom: 415 36K-QB B 1.71 ambi=2 { CB:34.393 } ::sumAvg: 4.235 atom: 415 36K-QB B 1.71 ambi=2 { CB:34.393 } atom: 407 35T-HG2 G2 1.178 ambi=1 { CG2:21.744 } ::sumAvg: 4.235 atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } atom: 413 36K-H N 8.42 ambi=1 { N:119.442 } ::sumAvg: 2.61 atom: 419 36K-HD2 D 1.564 ambi=2 { CD:28.981 } atom: 413 36K-H N 8.42 ambi=1 { N:119.442 } :: atom: 420 36K-HD3 D 1.537 ambi=2 { CD:28.981 } atom: 413 36K-H N 8.42 ambi=1 { N:119.442 } ::sumAvg: 4.595 atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } atom: 415 36K-QB B 1.71 ambi=2 { CB:34.393 } ::sumAvg: 2.34 atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } atom: 417 36K-HG2 G 1.437 ambi=2 { CG:24.708 } :: atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } atom: 418 36K-HG3 G 1.35 ambi=2 { CG:24.708 } ::sumAvg: 2.57 atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } atom: 419 36K-HD2 D 1.564 ambi=2 { CD:28.981 } :: atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } atom: 420 36K-HD3 D 1.537 ambi=2 { CD:28.981 } ::sumAvg: 4.375 atom: 419 36K-HD2 D 1.564 ambi=2 { CD:28.981 } atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } :: atom: 420 36K-HD3 D 1.537 ambi=2 { CD:28.981 } atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } ::sumAvg: 4.375 atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } atom: 421 36K-QE E 2.896 ambi=2 { CE:42.106 } ::sumAvg: 4.615 atom: 421 36K-QE E 2.896 ambi=2 { CE:42.106 } atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } ::sumAvg: 4.615 atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } atom: 430 37G-H N 8.225 ambi=1 { N:111.135 } ::sumAvg: 2.47 atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } atom: 431 37G-HA2 A 4.424 ambi=2 { CA:43.812 } :: atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } atom: 432 37G-HA3 A 3.076 ambi=2 { CA:43.812 } ::sumAvg: 4.475 atom: 431 37G-HA2 A 4.424 ambi=2 { CA:43.812 } atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } :: atom: 432 37G-HA3 A 3.076 ambi=2 { CA:43.812 } atom: 414 36K-HA A 4.888 ambi=1 { CA:55.519 } ::sumAvg: 4.475 atom: 415 36K-QB B 1.71 ambi=2 { CB:34.393 } atom: 421 36K-QE E 2.896 ambi=2 { CE:42.106 } ::sumAvg: 3.535 atom: 415 36K-QB B 1.71 ambi=2 { CB:34.393 } atom: 431 37G-HA2 A 4.424 ambi=2 { CA:43.812 } :: atom: 415 36K-QB B 1.71 ambi=2 { CB:34.393 } atom: 432 37G-HA3 A 3.076 ambi=2 { CA:43.812 } ::sumAvg: 4.25 atom: 417 36K-HG2 G 1.437 ambi=2 { CG:24.708 } atom: 430 37G-H N 8.225 ambi=1 { N:111.135 } :: atom: 418 36K-HG3 G 1.35 ambi=2 { CG:24.708 } atom: 430 37G-H N 8.225 ambi=1 { N:111.135 } ::sumAvg: 4.005 atom: 440 38Q-HG2 G 2.301 ambi=2 { CG:32.046 } atom: 430 37G-H N 8.225 ambi=1 { N:111.135 } :: atom: 441 38Q-HG3 G 1.639 ambi=2 { CG:32.046 } atom: 430 37G-H N 8.225 ambi=1 { N:111.135 } ::sumAvg: 4.955 atom: 431 37G-HA2 A 4.424 ambi=2 { CA:43.812 } atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } :: atom: 432 37G-HA3 A 3.076 ambi=2 { CA:43.812 } atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } ::sumAvg: 4.465 atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } atom: 431 37G-HA2 A 4.424 ambi=2 { CA:43.812 } :: atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } atom: 432 37G-HA3 A 3.076 ambi=2 { CA:43.812 } ::sumAvg: 4.465 atom: 431 37G-HA2 A 4.424 ambi=2 { CA:43.812 } atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } :: atom: 431 37G-HA2 A 4.424 ambi=2 { CA:43.812 } atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } :: atom: 432 37G-HA3 A 3.076 ambi=2 { CA:43.812 } atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } :: atom: 432 37G-HA3 A 3.076 ambi=2 { CA:43.812 } atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } ::sumAvg: 4.775 atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } atom: 431 37G-HA2 A 4.424 ambi=2 { CA:43.812 } :: atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } atom: 431 37G-HA2 A 4.424 ambi=2 { CA:43.812 } :: atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } atom: 432 37G-HA3 A 3.076 ambi=2 { CA:43.812 } :: atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } atom: 432 37G-HA3 A 3.076 ambi=2 { CA:43.812 } ::sumAvg: 4.775 atom: 440 38Q-HG2 G 2.301 ambi=2 { CG:32.046 } atom: 431 37G-HA2 A 4.424 ambi=2 { CA:43.812 } :: atom: 441 38Q-HG3 G 1.639 ambi=2 { CG:32.046 } atom: 431 37G-HA2 A 4.424 ambi=2 { CA:43.812 } :: atom: 440 38Q-HG2 G 2.301 ambi=2 { CG:32.046 } atom: 432 37G-HA3 A 3.076 ambi=2 { CA:43.812 } :: atom: 441 38Q-HG3 G 1.639 ambi=2 { CG:32.046 } atom: 432 37G-HA3 A 3.076 ambi=2 { CA:43.812 } ::sumAvg: 4.045 atom: 431 37G-HA2 A 4.424 ambi=2 { CA:43.812 } atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } :: atom: 432 37G-HA3 A 3.076 ambi=2 { CA:43.812 } atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } ::sumAvg: 4.915 atom: 432 37G-HA3 A 3.076 ambi=2 { CA:43.812 } atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } ::sumAvg: 4.05 atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } atom: 431 37G-HA2 A 4.424 ambi=2 { CA:43.812 } :: atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } atom: 431 37G-HA2 A 4.424 ambi=2 { CA:43.812 } ::sumAvg: 4.9 atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 436 38Q-H N 7.997 ambi=1 { N:113.711 } ::sumAvg: 4.995 atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } atom: 436 38Q-H N 7.997 ambi=1 { N:113.711 } ::sumAvg: 2.61 atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } atom: 436 38Q-H N 7.997 ambi=1 { N:113.711 } :: atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } atom: 436 38Q-H N 7.997 ambi=1 { N:113.711 } ::sumAvg: 4.285 atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 436 38Q-H N 7.997 ambi=1 { N:113.711 } ::sumAvg: 4.585 atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } atom: 442 38Q-HE21 E2 7.276 ambi=1 { NE2:112.841 } :: atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } atom: 443 38Q-HE22 E2 7.017 ambi=1 { NE2:112.841 } ::sumAvg: 4.395 atom: 453 39L-HB2 B 1.382 ambi=2 { CB:44.492 } atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } :: atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } ::sumAvg: 4.41 atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } ::sumAvg: 4.66 atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } ::sumAvg: 4.79 atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } ::sumAvg: 4.79 atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } ::sumAvg: 4.28 atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 437 38Q-HA A 5.59 ambi=1 { CA:54.04 } ::sumAvg: 4.28 atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } :: atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } ::sumAvg: 4.385 atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } :: atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } ::sumAvg: 4.385 atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } :: atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } :: atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } :: atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } ::sumAvg: 4.97 atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } :: atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } :: atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } :: atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } ::sumAvg: 4.97 atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } :: atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } ::sumAvg: 3.245 atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } :: atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } ::sumAvg: 2.715 atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } :: atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } :: atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } :: atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } ::sumAvg: 4.655 atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } :: atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } :: atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } :: atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } ::sumAvg: 4.655 atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } atom: 684 58E-HA A 4.225 ambi=1 { CA:60.654 } :: atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } atom: 684 58E-HA A 4.225 ambi=1 { CA:60.654 } ::sumAvg: 4.89 atom: 438 38Q-HB2 B 2.455 ambi=2 { CB:31.994 } atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } :: atom: 439 38Q-HB3 B 2.222 ambi=2 { CB:31.994 } atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } ::sumAvg: 4.46 atom: 440 38Q-HG2 G 2.301 ambi=2 { CG:32.046 } atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } :: atom: 441 38Q-HG3 G 1.639 ambi=2 { CG:32.046 } atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } ::sumAvg: 3.725 atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } atom: 440 38Q-HG2 G 2.301 ambi=2 { CG:32.046 } :: atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } atom: 441 38Q-HG3 G 1.639 ambi=2 { CG:32.046 } ::sumAvg: 3.725 atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } atom: 451 39L-H N 9.058 ambi=1 { N:119.38 } ::sumAvg: 2.935 atom: 453 39L-HB2 B 1.382 ambi=2 { CB:44.492 } atom: 451 39L-H N 9.058 ambi=1 { N:119.38 } :: atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } atom: 451 39L-H N 9.058 ambi=1 { N:119.38 } ::sumAvg: 3.06 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 451 39L-H N 9.058 ambi=1 { N:119.38 } ::sumAvg: 4.885 atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } atom: 451 39L-H N 9.058 ambi=1 { N:119.38 } :: atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } atom: 451 39L-H N 9.058 ambi=1 { N:119.38 } ::sumAvg: 4.825 atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 451 39L-H N 9.058 ambi=1 { N:119.38 } ::sumAvg: 3.49 atom: 455 39L-HG G 1.413 ambi=1 { CG:26.012 } atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } ::sumAvg: 2.995 atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } ::sumAvg: 4.455 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } ::sumAvg: 4.455 atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } :: atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } ::sumAvg: 4.465 atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } :: atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } ::sumAvg: 4.465 atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } ::sumAvg: 4.96 atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } :: atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } ::sumAvg: 4.585 atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } :: atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } ::sumAvg: 4.585 atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } atom: 657 56W-HE3 E3 7.683 ambi=1 { CE3:120.219 } ::sumAvg: 4.245 atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } ::sumAvg: 3.465 atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } ::sumAvg: 4.81 atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } atom: 452 39L-HA A 5.239 ambi=1 { CA:54.402 } ::sumAvg: 4.81 atom: 453 39L-HB2 B 1.382 ambi=2 { CB:44.492 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } :: atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } ::sumAvg: 4.64 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 453 39L-HB2 B 1.382 ambi=2 { CB:44.492 } :: atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } ::sumAvg: 4.64 atom: 453 39L-HB2 B 1.382 ambi=2 { CB:44.492 } atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } :: atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } ::sumAvg: 3.895 atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 453 39L-HB2 B 1.382 ambi=2 { CB:44.492 } :: atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } ::sumAvg: 3.895 atom: 453 39L-HB2 B 1.382 ambi=2 { CB:44.492 } atom: 657 56W-HE3 E3 7.683 ambi=1 { CE3:120.219 } :: atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } atom: 657 56W-HE3 E3 7.683 ambi=1 { CE3:120.219 } ::sumAvg: 3.5 atom: 453 39L-HB2 B 1.382 ambi=2 { CB:44.492 } atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } :: atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } ::sumAvg: 4.465 atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } ::sumAvg: 4.915 atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 454 39L-HB3 B 0.79 ambi=2 { CB:44.492 } ::sumAvg: 4.915 atom: 455 39L-HG G 1.413 ambi=1 { CG:26.012 } atom: 465 40K-H N 8.903 ambi=1 { N:122.261 } ::sumAvg: 3.725 atom: 455 39L-HG G 1.413 ambi=1 { CG:26.012 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } ::sumAvg: 4.43 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 455 39L-HG G 1.413 ambi=1 { CG:26.012 } ::sumAvg: 4.43 atom: 455 39L-HG G 1.413 ambi=1 { CG:26.012 } atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } ::sumAvg: 3.605 atom: 455 39L-HG G 1.413 ambi=1 { CG:26.012 } atom: 659 56W-HZ3 Z3 6.521 ambi=1 { CZ3:122.44 } ::sumAvg: 4.885 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } :: atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } ::sumAvg: 3.5 atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } :: atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } :: atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } :: atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } ::sumAvg: 4.695 atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } :: atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } ::sumAvg: 4.19 atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } :: atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } ::sumAvg: 3.79 atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } :: atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } ::sumAvg: 3.855 atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } :: atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } :: atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } :: atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } ::sumAvg: 4.53 atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } :: atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } :: atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } :: atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } ::sumAvg: 4.53 atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } :: atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } ::sumAvg: 4.055 atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } atom: 657 56W-HE3 E3 7.683 ambi=1 { CE3:120.219 } :: atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } atom: 657 56W-HE3 E3 7.683 ambi=1 { CE3:120.219 } ::sumAvg: 3.715 atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } :: atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } ::sumAvg: 4.465 atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 456 39L-HD1 D1 0.332 ambi=2 { CD1:24.649 } :: atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 457 39L-HD2 D2 0.472 ambi=2 { CD2:26.883 } ::sumAvg: 4.465 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 465 40K-H N 8.903 ambi=1 { N:122.261 } ::sumAvg: 2.94 atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } atom: 465 40K-H N 8.903 ambi=1 { N:122.261 } :: atom: 470 40K-HG3 G 1.2 ambi=2 { CG:24.559 } atom: 465 40K-H N 8.903 ambi=1 { N:122.261 } ::sumAvg: 4.53 atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 465 40K-H N 8.903 ambi=1 { N:122.261 } ::sumAvg: 4.725 atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 465 40K-H N 8.903 ambi=1 { N:122.261 } ::sumAvg: 4.66 atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } atom: 465 40K-H N 8.903 ambi=1 { N:122.261 } ::sumAvg: 4.76 atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } atom: 465 40K-H N 8.903 ambi=1 { N:122.261 } :: atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 465 40K-H N 8.903 ambi=1 { N:122.261 } ::sumAvg: 2.89 atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } atom: 465 40K-H N 8.903 ambi=1 { N:122.261 } ::sumAvg: 4.9 atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } atom: 465 40K-H N 8.903 ambi=1 { N:122.261 } :: atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } atom: 465 40K-H N 8.903 ambi=1 { N:122.261 } ::sumAvg: 4.53 atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 465 40K-H N 8.903 ambi=1 { N:122.261 } ::sumAvg: 4.035 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } :: atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } ::sumAvg: 2.455 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } :: atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 470 40K-HG3 G 1.2 ambi=2 { CG:24.559 } ::sumAvg: 2.495 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 471 40K-HD2 D 1.896 ambi=2 { CD:30.617 } :: atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 472 40K-HD3 D 1.718 ambi=2 { CD:30.617 } ::sumAvg: 4.21 atom: 471 40K-HD2 D 1.896 ambi=2 { CD:30.617 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } :: atom: 472 40K-HD3 D 1.718 ambi=2 { CD:30.617 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } ::sumAvg: 4.21 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 482 41S-H N 8.988 ambi=1 { N:123.588 } ::sumAvg: 2.16 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } ::sumAvg: 4.39 atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } ::sumAvg: 4.39 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 484 41S-HB2 B 3.718 ambi=2 { CB:64.486 } :: atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 485 41S-HB3 B 3.586 ambi=2 { CB:64.486 } ::sumAvg: 4.495 atom: 484 41S-HB2 B 3.718 ambi=2 { CB:64.486 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } :: atom: 485 41S-HB3 B 3.586 ambi=2 { CB:64.486 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } ::sumAvg: 4.495 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } ::sumAvg: 4.82 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } :: atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } ::sumAvg: 4.675 atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } :: atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } ::sumAvg: 4.675 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } ::sumAvg: 4.895 atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } ::sumAvg: 4.895 atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } ::sumAvg: 3.935 atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 466 40K-HA A 4.681 ambi=1 { CA:56.268 } ::sumAvg: 3.935 atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } atom: 482 41S-H N 8.988 ambi=1 { N:123.588 } :: atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } atom: 482 41S-H N 8.988 ambi=1 { N:123.588 } ::sumAvg: 4.205 atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } :: atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } ::sumAvg: 3.91 atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } :: atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } :: atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } :: atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } ::sumAvg: 2.735 atom: 467 40K-HB2 B 1.78 ambi=2 { CB:37.139 } atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } :: atom: 468 40K-HB3 B 1.736 ambi=2 { CB:37.139 } atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } ::sumAvg: 4.835 atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } atom: 473 40K-HE2 E 3.154 ambi=2 { CE:42.329 } :: atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } atom: 474 40K-HE3 E 2.873 ambi=2 { CE:42.329 } :: atom: 470 40K-HG3 G 1.2 ambi=2 { CG:24.559 } atom: 473 40K-HE2 E 3.154 ambi=2 { CE:42.329 } :: atom: 470 40K-HG3 G 1.2 ambi=2 { CG:24.559 } atom: 474 40K-HE3 E 2.873 ambi=2 { CE:42.329 } ::sumAvg: 2.435 atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } :: atom: 470 40K-HG3 G 1.2 ambi=2 { CG:24.559 } atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } ::sumAvg: 4.475 atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } :: atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 470 40K-HG3 G 1.2 ambi=2 { CG:24.559 } ::sumAvg: 4.475 atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } :: atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } :: atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } atom: 470 40K-HG3 G 1.2 ambi=2 { CG:24.559 } ::sumAvg: 4.01 atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } :: atom: 470 40K-HG3 G 1.2 ambi=2 { CG:24.559 } atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } ::sumAvg: 4.805 atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } :: atom: 470 40K-HG3 G 1.2 ambi=2 { CG:24.559 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } ::sumAvg: 4.345 atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } ::sumAvg: 4.465 atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } :: atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } ::sumAvg: 4.69 atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } :: atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } atom: 469 40K-HG2 G 1.846 ambi=2 { CG:24.559 } ::sumAvg: 4.69 atom: 471 40K-HD2 D 1.896 ambi=2 { CD:30.617 } atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } :: atom: 472 40K-HD3 D 1.718 ambi=2 { CD:30.617 } atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } ::sumAvg: 4.505 atom: 471 40K-HD2 D 1.896 ambi=2 { CD:30.617 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } :: atom: 472 40K-HD3 D 1.718 ambi=2 { CD:30.617 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } ::sumAvg: 3.185 atom: 471 40K-HD2 D 1.896 ambi=2 { CD:30.617 } atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } :: atom: 472 40K-HD3 D 1.718 ambi=2 { CD:30.617 } atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } ::sumAvg: 4.365 atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } atom: 471 40K-HD2 D 1.896 ambi=2 { CD:30.617 } :: atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } atom: 472 40K-HD3 D 1.718 ambi=2 { CD:30.617 } ::sumAvg: 4.365 atom: 471 40K-HD2 D 1.896 ambi=2 { CD:30.617 } atom: 723 62F-H N 7.851 ambi=1 { N:124.447 } :: atom: 472 40K-HD3 D 1.718 ambi=2 { CD:30.617 } atom: 723 62F-H N 7.851 ambi=1 { N:124.447 } ::sumAvg: 4.67 atom: 473 40K-HE2 E 3.154 ambi=2 { CE:42.329 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } :: atom: 474 40K-HE3 E 2.873 ambi=2 { CE:42.329 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } ::sumAvg: 4.26 atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } atom: 473 40K-HE2 E 3.154 ambi=2 { CE:42.329 } :: atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } atom: 474 40K-HE3 E 2.873 ambi=2 { CE:42.329 } ::sumAvg: 4.26 atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 473 40K-HE2 E 3.154 ambi=2 { CE:42.329 } :: atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 474 40K-HE3 E 2.873 ambi=2 { CE:42.329 } ::sumAvg: 4.855 atom: 473 40K-HE2 E 3.154 ambi=2 { CE:42.329 } atom: 752 64V-H N 7.492 ambi=1 { N:124.341 } :: atom: 474 40K-HE3 E 2.873 ambi=2 { CE:42.329 } atom: 752 64V-H N 7.492 ambi=1 { N:124.341 } ::sumAvg: 4.895 atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 482 41S-H N 8.988 ambi=1 { N:123.588 } ::sumAvg: 4.965 atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } atom: 482 41S-H N 8.988 ambi=1 { N:123.588 } ::sumAvg: 4.965 atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 492 42L-HB2 B 1.56 ambi=2 { CB:46.681 } :: atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 493 42L-HB3 B 1.459 ambi=2 { CB:46.681 } ::sumAvg: 4.5 atom: 492 42L-HB2 B 1.56 ambi=2 { CB:46.681 } atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } :: atom: 493 42L-HB3 B 1.459 ambi=2 { CB:46.681 } atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } ::sumAvg: 4.5 atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } :: atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } ::sumAvg: 4.26 atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } :: atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } ::sumAvg: 4.26 atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } ::sumAvg: 2.45 atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } ::sumAvg: 3.705 atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } ::sumAvg: 3.075 atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } :: atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } ::sumAvg: 4.755 atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } :: atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } ::sumAvg: 4.755 atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } ::sumAvg: 4.34 atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } ::sumAvg: 4.34 atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } :: atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } ::sumAvg: 4.875 atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } :: atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } atom: 483 41S-HA A 5.088 ambi=1 { CA:58.525 } ::sumAvg: 4.875 atom: 484 41S-HB2 B 3.718 ambi=2 { CB:64.486 } atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } :: atom: 485 41S-HB3 B 3.586 ambi=2 { CB:64.486 } atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } ::sumAvg: 4.555 atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } atom: 484 41S-HB2 B 3.718 ambi=2 { CB:64.486 } :: atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } atom: 485 41S-HB3 B 3.586 ambi=2 { CB:64.486 } ::sumAvg: 4.555 atom: 484 41S-HB2 B 3.718 ambi=2 { CB:64.486 } atom: 610 52R-HG2 G 1.548 ambi=2 { CG:28.021 } :: atom: 484 41S-HB2 B 3.718 ambi=2 { CB:64.486 } atom: 611 52R-HG3 G 1.466 ambi=2 { CG:28.021 } :: atom: 485 41S-HB3 B 3.586 ambi=2 { CB:64.486 } atom: 610 52R-HG2 G 1.548 ambi=2 { CG:28.021 } :: atom: 485 41S-HB3 B 3.586 ambi=2 { CB:64.486 } atom: 611 52R-HG3 G 1.466 ambi=2 { CG:28.021 } ::sumAvg: 4.64 atom: 610 52R-HG2 G 1.548 ambi=2 { CG:28.021 } atom: 484 41S-HB2 B 3.718 ambi=2 { CB:64.486 } :: atom: 611 52R-HG3 G 1.466 ambi=2 { CG:28.021 } atom: 484 41S-HB2 B 3.718 ambi=2 { CB:64.486 } :: atom: 610 52R-HG2 G 1.548 ambi=2 { CG:28.021 } atom: 485 41S-HB3 B 3.586 ambi=2 { CB:64.486 } :: atom: 611 52R-HG3 G 1.466 ambi=2 { CG:28.021 } atom: 485 41S-HB3 B 3.586 ambi=2 { CB:64.486 } ::sumAvg: 4.64 atom: 612 52R-QD D 3.08 ambi=2 { CD:43.423 } atom: 484 41S-HB2 B 3.718 ambi=2 { CB:64.486 } :: atom: 612 52R-QD D 3.08 ambi=2 { CD:43.423 } atom: 485 41S-HB3 B 3.586 ambi=2 { CB:64.486 } ::sumAvg: 4.355 atom: 484 41S-HB2 B 3.718 ambi=2 { CB:64.486 } atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } :: atom: 485 41S-HB3 B 3.586 ambi=2 { CB:64.486 } atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } ::sumAvg: 4.24 atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 484 41S-HB2 B 3.718 ambi=2 { CB:64.486 } :: atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 485 41S-HB3 B 3.586 ambi=2 { CB:64.486 } ::sumAvg: 4.24 atom: 484 41S-HB2 B 3.718 ambi=2 { CB:64.486 } atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } :: atom: 485 41S-HB3 B 3.586 ambi=2 { CB:64.486 } atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } ::sumAvg: 4.455 atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } atom: 490 42L-H N 9.005 ambi=1 { N:120.695 } ::sumAvg: 4.71 atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 490 42L-H N 9.005 ambi=1 { N:120.695 } ::sumAvg: 4.765 atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 490 42L-H N 9.005 ambi=1 { N:120.695 } ::sumAvg: 3.515 atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } atom: 490 42L-H N 9.005 ambi=1 { N:120.695 } ::sumAvg: 4.785 atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } atom: 490 42L-H N 9.005 ambi=1 { N:120.695 } ::sumAvg: 4.63 atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } atom: 494 42L-HG G 1.627 ambi=1 { CG:27.122 } ::sumAvg: 3.34 atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } atom: 508 43F-QD D 7.123 ambi=3 { CD1:130.766 } ::sumAvg: 4.63 atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } :: atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } ::sumAvg: 4.885 atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } :: atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } ::sumAvg: 4.41 atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } :: atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } atom: 491 42L-HA A 5.178 ambi=1 { CA:52.926 } ::sumAvg: 4.41 atom: 492 42L-HB2 B 1.56 ambi=2 { CB:46.681 } atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } :: atom: 493 42L-HB3 B 1.459 ambi=2 { CB:46.681 } atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } ::sumAvg: 4.77 atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } atom: 492 42L-HB2 B 1.56 ambi=2 { CB:46.681 } :: atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } atom: 493 42L-HB3 B 1.459 ambi=2 { CB:46.681 } ::sumAvg: 4.77 atom: 492 42L-HB2 B 1.56 ambi=2 { CB:46.681 } atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } :: atom: 492 42L-HB2 B 1.56 ambi=2 { CB:46.681 } atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } :: atom: 493 42L-HB3 B 1.459 ambi=2 { CB:46.681 } atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } :: atom: 493 42L-HB3 B 1.459 ambi=2 { CB:46.681 } atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } ::sumAvg: 4.31 atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 492 42L-HB2 B 1.56 ambi=2 { CB:46.681 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 492 42L-HB2 B 1.56 ambi=2 { CB:46.681 } :: atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 493 42L-HB3 B 1.459 ambi=2 { CB:46.681 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 493 42L-HB3 B 1.459 ambi=2 { CB:46.681 } ::sumAvg: 4.31 atom: 492 42L-HB2 B 1.56 ambi=2 { CB:46.681 } atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } :: atom: 492 42L-HB2 B 1.56 ambi=2 { CB:46.681 } atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } :: atom: 493 42L-HB3 B 1.459 ambi=2 { CB:46.681 } atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } ::sumAvg: 3.185 atom: 492 42L-HB2 B 1.56 ambi=2 { CB:46.681 } atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } :: atom: 493 42L-HB3 B 1.459 ambi=2 { CB:46.681 } atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } ::sumAvg: 4.67 atom: 494 42L-HG G 1.627 ambi=1 { CG:27.122 } atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } :: atom: 494 42L-HG G 1.627 ambi=1 { CG:27.122 } atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } ::sumAvg: 4.13 atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 494 42L-HG G 1.627 ambi=1 { CG:27.122 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 494 42L-HG G 1.627 ambi=1 { CG:27.122 } ::sumAvg: 4.13 atom: 494 42L-HG G 1.627 ambi=1 { CG:27.122 } atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } ::sumAvg: 4.495 atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } atom: 494 42L-HG G 1.627 ambi=1 { CG:27.122 } ::sumAvg: 4.495 atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } :: atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } ::sumAvg: 4.285 atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } :: atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } ::sumAvg: 4.285 atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } :: atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } ::sumAvg: 4.785 atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } :: atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } :: atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } :: atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } ::sumAvg: 3.495 atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } :: atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } ::sumAvg: 4.83 atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } :: atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } ::sumAvg: 4.83 atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } :: atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } ::sumAvg: 4.57 atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } :: atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } ::sumAvg: 4.78 atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } :: atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } ::sumAvg: 3.81 atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } atom: 752 64V-H N 7.492 ambi=1 { N:124.341 } :: atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } atom: 752 64V-H N 7.492 ambi=1 { N:124.341 } ::sumAvg: 4.765 atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } :: atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } ::sumAvg: 4.885 atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } :: atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } ::sumAvg: 4.885 atom: 754 64V-HB B 2.176 ambi=1 { CB:33.838 } atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } :: atom: 754 64V-HB B 2.176 ambi=1 { CB:33.838 } atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } ::sumAvg: 3.74 atom: 495 42L-HD1 D1 0.751 ambi=2 { CD1:26.183 } atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } :: atom: 496 42L-HD2 D2 0.894 ambi=2 { CD2:23.84 } atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } ::sumAvg: 4.88 atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } atom: 504 43F-H N 9.053 ambi=1 { N:123.16 } ::sumAvg: 4.935 atom: 526 44L-HG G 1.473 ambi=1 { CG:27.137 } atom: 504 43F-H N 9.053 ambi=1 { N:123.16 } ::sumAvg: 4.615 atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 504 43F-H N 9.053 ambi=1 { N:123.16 } ::sumAvg: 4.89 atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } ::sumAvg: 4.48 atom: 524 44L-HB2 B 1.762 ambi=2 { CB:44.689 } atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } :: atom: 525 44L-HB3 B 1.141 ambi=2 { CB:44.689 } atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } ::sumAvg: 4.33 atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } atom: 526 44L-HG G 1.473 ambi=1 { CG:27.137 } ::sumAvg: 4.415 atom: 526 44L-HG G 1.473 ambi=1 { CG:27.137 } atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } ::sumAvg: 4.415 atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } :: atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } ::sumAvg: 3.935 atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } :: atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } ::sumAvg: 3.935 atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } atom: 592 51I-H N 9.231 ambi=1 { N:120.991 } ::sumAvg: 4.855 atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } atom: 606 52R-H N 7.513 ambi=1 { N:125.893 } ::sumAvg: 4.965 atom: 608 52R-HB2 B 1.875 ambi=2 { CB:32.022 } atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } :: atom: 609 52R-HB3 B 1.741 ambi=2 { CB:32.022 } atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } ::sumAvg: 3.955 atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } atom: 610 52R-HG2 G 1.548 ambi=2 { CG:28.021 } :: atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } atom: 611 52R-HG3 G 1.466 ambi=2 { CG:28.021 } ::sumAvg: 3.075 atom: 612 52R-QD D 3.08 ambi=2 { CD:43.423 } atom: 505 43F-HA A 5.253 ambi=1 { CA:57.407 } ::sumAvg: 4.77 atom: 506 43F-HB2 B 3.108 ambi=2 { CB:41.838 } atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } :: atom: 507 43F-HB3 B 3.046 ambi=2 { CB:41.838 } atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } ::sumAvg: 4.37 atom: 506 43F-HB2 B 3.108 ambi=2 { CB:41.838 } atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } :: atom: 507 43F-HB3 B 3.046 ambi=2 { CB:41.838 } atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } ::sumAvg: 4.825 atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } atom: 506 43F-HB2 B 3.108 ambi=2 { CB:41.838 } :: atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } atom: 507 43F-HB3 B 3.046 ambi=2 { CB:41.838 } ::sumAvg: 4.825 atom: 506 43F-HB2 B 3.108 ambi=2 { CB:41.838 } atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } :: atom: 507 43F-HB3 B 3.046 ambi=2 { CB:41.838 } atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } ::sumAvg: 4.175 atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 506 43F-HB2 B 3.108 ambi=2 { CB:41.838 } :: atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 507 43F-HB3 B 3.046 ambi=2 { CB:41.838 } ::sumAvg: 4.175 atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } atom: 508 43F-QD D 7.123 ambi=3 { CD1:130.766 } ::sumAvg: 4.945 atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 508 43F-QD D 7.123 ambi=3 { CD1:130.766 } ::sumAvg: 2.975 atom: 608 52R-HB2 B 1.875 ambi=2 { CB:32.022 } atom: 508 43F-QD D 7.123 ambi=3 { CD1:130.766 } :: atom: 609 52R-HB3 B 1.741 ambi=2 { CB:32.022 } atom: 508 43F-QD D 7.123 ambi=3 { CD1:130.766 } ::sumAvg: 3.175 atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } ::sumAvg: 4.37 atom: 608 52R-HB2 B 1.875 ambi=2 { CB:32.022 } atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } :: atom: 609 52R-HB3 B 1.741 ambi=2 { CB:32.022 } atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } ::sumAvg: 4.265 atom: 610 52R-HG2 G 1.548 ambi=2 { CG:28.021 } atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } :: atom: 611 52R-HG3 G 1.466 ambi=2 { CG:28.021 } atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } ::sumAvg: 4.555 atom: 612 52R-QD D 3.08 ambi=2 { CD:43.423 } atom: 510 43F-QE E 7.255 ambi=3 { CE1:131.457 } ::sumAvg: 3.955 atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } ::sumAvg: 4.96 atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } :: atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } ::sumAvg: 4.295 atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } ::sumAvg: 3.19 atom: 610 52R-HG2 G 1.548 ambi=2 { CG:28.021 } atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } :: atom: 611 52R-HG3 G 1.466 ambi=2 { CG:28.021 } atom: 522 44L-H N 8.802 ambi=1 { N:127.768 } ::sumAvg: 4.815 atom: 538 45K-HB2 B 1.777 ambi=2 { CB:37.681 } atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } :: atom: 539 45K-HB3 B 1.588 ambi=2 { CB:37.681 } atom: 523 44L-HA A 5.352 ambi=1 { CA:53.7 } ::sumAvg: 4.41 atom: 524 44L-HB2 B 1.762 ambi=2 { CB:44.689 } atom: 537 45K-HA A 5.247 ambi=1 { CA:55.625 } :: atom: 525 44L-HB3 B 1.141 ambi=2 { CB:44.689 } atom: 537 45K-HA A 5.247 ambi=1 { CA:55.625 } ::sumAvg: 4.215 atom: 524 44L-HB2 B 1.762 ambi=2 { CB:44.689 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } :: atom: 525 44L-HB3 B 1.141 ambi=2 { CB:44.689 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } ::sumAvg: 4.82 atom: 525 44L-HB3 B 1.141 ambi=2 { CB:44.689 } atom: 594 51I-HB B 1.581 ambi=1 { CB:41.997 } ::sumAvg: 4.915 atom: 594 51I-HB B 1.581 ambi=1 { CB:41.997 } atom: 525 44L-HB3 B 1.141 ambi=2 { CB:44.689 } ::sumAvg: 4.915 atom: 525 44L-HB3 B 1.141 ambi=2 { CB:44.689 } atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } ::sumAvg: 3.67 atom: 524 44L-HB2 B 1.762 ambi=2 { CB:44.689 } atom: 598 51I-HD1 D1 0.581 ambi=1 { CD1:15.949 } :: atom: 525 44L-HB3 B 1.141 ambi=2 { CB:44.689 } atom: 598 51I-HD1 D1 0.581 ambi=1 { CD1:15.949 } ::sumAvg: 4.205 atom: 524 44L-HB2 B 1.762 ambi=2 { CB:44.689 } atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } :: atom: 525 44L-HB3 B 1.141 ambi=2 { CB:44.689 } atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } ::sumAvg: 4.945 atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 524 44L-HB2 B 1.762 ambi=2 { CB:44.689 } :: atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 525 44L-HB3 B 1.141 ambi=2 { CB:44.689 } ::sumAvg: 4.945 atom: 524 44L-HB2 B 1.762 ambi=2 { CB:44.689 } atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } ::sumAvg: 4.62 atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } atom: 524 44L-HB2 B 1.762 ambi=2 { CB:44.689 } ::sumAvg: 4.62 atom: 526 44L-HG G 1.473 ambi=1 { CG:27.137 } atom: 536 45K-H N 9.209 ambi=1 { N:120.149 } ::sumAvg: 4.405 atom: 526 44L-HG G 1.473 ambi=1 { CG:27.137 } atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } ::sumAvg: 4.915 atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } :: atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } :: atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } :: atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } ::sumAvg: 4.13 atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } :: atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } ::sumAvg: 4.975 atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } :: atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } ::sumAvg: 4.975 atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } :: atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } ::sumAvg: 3.93 atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } ::sumAvg: 3.7 atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } ::sumAvg: 3.7 atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } ::sumAvg: 2.475 atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } ::sumAvg: 2.475 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 527 44L-HD1 D1 0.639 ambi=2 { CD1:25.806 } :: atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 528 44L-HD2 D2 0.776 ambi=2 { CD2:24.938 } ::sumAvg: 4.965 atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } atom: 536 45K-H N 9.209 ambi=1 { N:120.149 } ::sumAvg: 4.915 atom: 542 45K-HD2 D 1.573 ambi=2 { CD:29.7 } atom: 537 45K-HA A 5.247 ambi=1 { CA:55.625 } :: atom: 543 45K-HD3 D 1.519 ambi=2 { CD:29.7 } atom: 537 45K-HA A 5.247 ambi=1 { CA:55.625 } ::sumAvg: 4.27 atom: 537 45K-HA A 5.247 ambi=1 { CA:55.625 } atom: 544 45K-QE E 2.857 ambi=2 { CE:42.108 } ::sumAvg: 4.58 atom: 544 45K-QE E 2.857 ambi=2 { CE:42.108 } atom: 537 45K-HA A 5.247 ambi=1 { CA:55.625 } ::sumAvg: 4.58 atom: 537 45K-HA A 5.247 ambi=1 { CA:55.625 } atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } :: atom: 537 45K-HA A 5.247 ambi=1 { CA:55.625 } atom: 556 46D-HB3 B 3.08 ambi=2 { CB:41.838 } ::sumAvg: 4.22 atom: 537 45K-HA A 5.247 ambi=1 { CA:55.625 } atom: 584 50S-H N 8.255 ambi=1 { N:111.88 } ::sumAvg: 4.825 atom: 537 45K-HA A 5.247 ambi=1 { CA:55.625 } atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } ::sumAvg: 4.245 atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } atom: 537 45K-HA A 5.247 ambi=1 { CA:55.625 } ::sumAvg: 4.245 atom: 538 45K-HB2 B 1.777 ambi=2 { CB:37.681 } atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } :: atom: 539 45K-HB3 B 1.588 ambi=2 { CB:37.681 } atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } ::sumAvg: 4.615 atom: 540 45K-HG2 G 1.392 ambi=2 { CG:24.31 } atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } :: atom: 541 45K-HG3 G 1.358 ambi=2 { CG:24.31 } atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } ::sumAvg: 3.72 atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } atom: 540 45K-HG2 G 1.392 ambi=2 { CG:24.31 } :: atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } atom: 541 45K-HG3 G 1.358 ambi=2 { CG:24.31 } ::sumAvg: 3.72 atom: 540 45K-HG2 G 1.392 ambi=2 { CG:24.31 } atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } :: atom: 541 45K-HG3 G 1.358 ambi=2 { CG:24.31 } atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } ::sumAvg: 4.375 atom: 540 45K-HG2 G 1.392 ambi=2 { CG:24.31 } atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } :: atom: 541 45K-HG3 G 1.358 ambi=2 { CG:24.31 } atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } ::sumAvg: 4.005 atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } atom: 540 45K-HG2 G 1.392 ambi=2 { CG:24.31 } :: atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } atom: 541 45K-HG3 G 1.358 ambi=2 { CG:24.31 } ::sumAvg: 4.005 atom: 540 45K-HG2 G 1.392 ambi=2 { CG:24.31 } atom: 584 50S-H N 8.255 ambi=1 { N:111.88 } :: atom: 541 45K-HG3 G 1.358 ambi=2 { CG:24.31 } atom: 584 50S-H N 8.255 ambi=1 { N:111.88 } ::sumAvg: 4.27 atom: 540 45K-HG2 G 1.392 ambi=2 { CG:24.31 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } :: atom: 541 45K-HG3 G 1.358 ambi=2 { CG:24.31 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } ::sumAvg: 3.005 atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } atom: 540 45K-HG2 G 1.392 ambi=2 { CG:24.31 } :: atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } atom: 541 45K-HG3 G 1.358 ambi=2 { CG:24.31 } ::sumAvg: 3.005 atom: 540 45K-HG2 G 1.392 ambi=2 { CG:24.31 } atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } :: atom: 541 45K-HG3 G 1.358 ambi=2 { CG:24.31 } atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } ::sumAvg: 2.41 atom: 542 45K-HD2 D 1.573 ambi=2 { CD:29.7 } atom: 553 46D-H N 8.91 ambi=1 { N:126.536 } :: atom: 543 45K-HD3 D 1.519 ambi=2 { CD:29.7 } atom: 553 46D-H N 8.91 ambi=1 { N:126.536 } ::sumAvg: 4.9 atom: 542 45K-HD2 D 1.573 ambi=2 { CD:29.7 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } :: atom: 543 45K-HD3 D 1.519 ambi=2 { CD:29.7 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } ::sumAvg: 4.765 atom: 542 45K-HD2 D 1.573 ambi=2 { CD:29.7 } atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } :: atom: 543 45K-HD3 D 1.519 ambi=2 { CD:29.7 } atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } ::sumAvg: 2.88 atom: 544 45K-QE E 2.857 ambi=2 { CE:42.108 } atom: 553 46D-H N 8.91 ambi=1 { N:126.536 } ::sumAvg: 4.15 atom: 544 45K-QE E 2.857 ambi=2 { CE:42.108 } atom: 562 47D-HA A 4.503 ambi=1 { CA:55.822 } ::sumAvg: 4.75 atom: 562 47D-HA A 4.503 ambi=1 { CA:55.822 } atom: 544 45K-QE E 2.857 ambi=2 { CE:42.108 } ::sumAvg: 4.75 atom: 544 45K-QE E 2.857 ambi=2 { CE:42.108 } atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } ::sumAvg: 4.745 atom: 544 45K-QE E 2.857 ambi=2 { CE:42.108 } atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } ::sumAvg: 3.97 atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } atom: 544 45K-QE E 2.857 ambi=2 { CE:42.108 } ::sumAvg: 3.97 atom: 544 45K-QE E 2.857 ambi=2 { CE:42.108 } atom: 584 50S-H N 8.255 ambi=1 { N:111.88 } ::sumAvg: 4.775 atom: 544 45K-QE E 2.857 ambi=2 { CE:42.108 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } ::sumAvg: 4.78 atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } atom: 544 45K-QE E 2.857 ambi=2 { CE:42.108 } ::sumAvg: 4.78 atom: 544 45K-QE E 2.857 ambi=2 { CE:42.108 } atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } ::sumAvg: 3.145 atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } atom: 544 45K-QE E 2.857 ambi=2 { CE:42.108 } ::sumAvg: 3.145 atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } atom: 553 46D-H N 8.91 ambi=1 { N:126.536 } :: atom: 556 46D-HB3 B 3.08 ambi=2 { CB:41.838 } atom: 553 46D-H N 8.91 ambi=1 { N:126.536 } ::sumAvg: 2.92 atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } atom: 553 46D-H N 8.91 ambi=1 { N:126.536 } ::sumAvg: 4.18 atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } atom: 553 46D-H N 8.91 ambi=1 { N:126.536 } ::sumAvg: 4.18 atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } atom: 562 47D-HA A 4.503 ambi=1 { CA:55.822 } ::sumAvg: 4.335 atom: 562 47D-HA A 4.503 ambi=1 { CA:55.822 } atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } ::sumAvg: 4.335 atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } atom: 563 47D-QB B 2.794 ambi=2 { CB:39.384 } ::sumAvg: 4.62 atom: 563 47D-QB B 2.794 ambi=2 { CB:39.384 } atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } ::sumAvg: 4.62 atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } atom: 569 48T-H N 9.629 ambi=1 { N:111.625 } ::sumAvg: 4.225 atom: 554 46D-HA A 5.145 ambi=1 { CA:52.599 } atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } ::sumAvg: 4.765 atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } atom: 562 47D-HA A 4.503 ambi=1 { CA:55.822 } :: atom: 556 46D-HB3 B 3.08 ambi=2 { CB:41.838 } atom: 562 47D-HA A 4.503 ambi=1 { CA:55.822 } ::sumAvg: 4.73 atom: 562 47D-HA A 4.503 ambi=1 { CA:55.822 } atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } :: atom: 562 47D-HA A 4.503 ambi=1 { CA:55.822 } atom: 556 46D-HB3 B 3.08 ambi=2 { CB:41.838 } ::sumAvg: 4.73 atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } atom: 563 47D-QB B 2.794 ambi=2 { CB:39.384 } ::sumAvg: 4.495 atom: 563 47D-QB B 2.794 ambi=2 { CB:39.384 } atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } ::sumAvg: 4.495 atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } atom: 569 48T-H N 9.629 ambi=1 { N:111.625 } :: atom: 556 46D-HB3 B 3.08 ambi=2 { CB:41.838 } atom: 569 48T-H N 9.629 ambi=1 { N:111.625 } ::sumAvg: 2.85 atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } :: atom: 556 46D-HB3 B 3.08 ambi=2 { CB:41.838 } atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } ::sumAvg: 4.075 atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } :: atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } atom: 556 46D-HB3 B 3.08 ambi=2 { CB:41.838 } ::sumAvg: 4.075 atom: 555 46D-HB2 B 3.474 ambi=2 { CB:41.838 } atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } :: atom: 556 46D-HB3 B 3.08 ambi=2 { CB:41.838 } atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } ::sumAvg: 3.925 atom: 562 47D-HA A 4.503 ambi=1 { CA:55.822 } atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } ::sumAvg: 4.63 atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } atom: 562 47D-HA A 4.503 ambi=1 { CA:55.822 } ::sumAvg: 4.63 atom: 562 47D-HA A 4.503 ambi=1 { CA:55.822 } atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } ::sumAvg: 4.015 atom: 563 47D-QB B 2.794 ambi=2 { CB:39.384 } atom: 569 48T-H N 9.629 ambi=1 { N:111.625 } ::sumAvg: 3.405 atom: 563 47D-QB B 2.794 ambi=2 { CB:39.384 } atom: 570 48T-HA A 4.655 ambi=1 { CA:62.095 } ::sumAvg: 4.325 atom: 570 48T-HA A 4.655 ambi=1 { CA:62.095 } atom: 563 47D-QB B 2.794 ambi=2 { CB:39.384 } ::sumAvg: 4.325 atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } atom: 563 47D-QB B 2.794 ambi=2 { CB:39.384 } ::sumAvg: 3.375 atom: 563 47D-QB B 2.794 ambi=2 { CB:39.384 } atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } ::sumAvg: 4.805 atom: 570 48T-HA A 4.655 ambi=1 { CA:62.095 } atom: 569 48T-H N 9.629 ambi=1 { N:111.625 } ::sumAvg: 2.93 atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } atom: 569 48T-H N 9.629 ambi=1 { N:111.625 } ::sumAvg: 4.375 atom: 570 48T-HA A 4.655 ambi=1 { CA:62.095 } atom: 572 48T-HG2 G2 1.138 ambi=1 { CG2:22.538 } ::sumAvg: 2.375 atom: 570 48T-HA A 4.655 ambi=1 { CA:62.095 } atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } ::sumAvg: 3.33 atom: 570 48T-HA A 4.655 ambi=1 { CA:62.095 } atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } ::sumAvg: 4.155 atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } atom: 570 48T-HA A 4.655 ambi=1 { CA:62.095 } ::sumAvg: 4.155 atom: 571 48T-HB B 4.363 ambi=1 { CB:70.642 } atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } ::sumAvg: 4.285 atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } atom: 578 49G-H N 7.672 ambi=1 { N:110.638 } ::sumAvg: 4.875 atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } ::sumAvg: 3.975 atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } ::sumAvg: 3.975 atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } ::sumAvg: 3.84 atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } atom: 579 49G-QA A 4.086 ambi=2 { CA:45.846 } ::sumAvg: 3.84 atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } atom: 584 50S-H N 8.255 ambi=1 { N:111.88 } ::sumAvg: 4.595 atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } ::sumAvg: 4.5 atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } ::sumAvg: 4.5 atom: 594 51I-HB B 1.581 ambi=1 { CB:41.997 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } ::sumAvg: 4.935 atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } :: atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } ::sumAvg: 4.97 atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } atom: 585 50S-HA A 5.658 ambi=1 { CA:56.809 } ::sumAvg: 3.56 atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } ::sumAvg: 4.43 atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } ::sumAvg: 4.43 atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } atom: 586 50S-QB B 3.679 ambi=2 { CB:67.002 } ::sumAvg: 4.415 atom: 594 51I-HB B 1.581 ambi=1 { CB:41.997 } atom: 592 51I-H N 9.231 ambi=1 { N:120.991 } ::sumAvg: 3.6 atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } atom: 592 51I-H N 9.231 ambi=1 { N:120.991 } :: atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } atom: 592 51I-H N 9.231 ambi=1 { N:120.991 } ::sumAvg: 3.505 atom: 598 51I-HD1 D1 0.581 ambi=1 { CD1:15.949 } atom: 592 51I-H N 9.231 ambi=1 { N:120.991 } ::sumAvg: 4.47 atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 592 51I-H N 9.231 ambi=1 { N:120.991 } ::sumAvg: 4.685 atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } atom: 608 52R-HB2 B 1.875 ambi=2 { CB:32.022 } :: atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } atom: 609 52R-HB3 B 1.741 ambi=2 { CB:32.022 } ::sumAvg: 4.46 atom: 608 52R-HB2 B 1.875 ambi=2 { CB:32.022 } atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } :: atom: 609 52R-HB3 B 1.741 ambi=2 { CB:32.022 } atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } ::sumAvg: 4.46 atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } atom: 963 83L-H N 8.687 ambi=1 { N:121.184 } ::sumAvg: 4.26 atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } atom: 965 83L-HB2 B 1.752 ambi=2 { CB:42.773 } :: atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } atom: 966 83L-HB3 B 1.146 ambi=2 { CB:42.773 } ::sumAvg: 3.825 atom: 965 83L-HB2 B 1.752 ambi=2 { CB:42.773 } atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } :: atom: 966 83L-HB3 B 1.146 ambi=2 { CB:42.773 } atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } ::sumAvg: 3.825 atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } :: atom: 969 83L-HD2 D2 0.611 ambi=2 { CD2:22.938 } atom: 593 51I-HA A 4.556 ambi=1 { CA:61.205 } ::sumAvg: 4.785 atom: 594 51I-HB B 1.581 ambi=1 { CB:41.997 } atom: 966 83L-HB3 B 1.146 ambi=2 { CB:42.773 } ::sumAvg: 3.78 atom: 966 83L-HB3 B 1.146 ambi=2 { CB:42.773 } atom: 594 51I-HB B 1.581 ambi=1 { CB:41.997 } ::sumAvg: 3.78 atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } atom: 594 51I-HB B 1.581 ambi=1 { CB:41.997 } :: atom: 969 83L-HD2 D2 0.611 ambi=2 { CD2:22.938 } atom: 594 51I-HB B 1.581 ambi=1 { CB:41.997 } ::sumAvg: 3.74 atom: 994 85I-HD1 D1 0.563 ambi=1 { CD1:13.482 } atom: 594 51I-HB B 1.581 ambi=1 { CB:41.997 } ::sumAvg: 4.26 atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } :: atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } ::sumAvg: 4.125 atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } :: atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } ::sumAvg: 4.125 atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } atom: 622 53G-H N 9.053 ambi=1 { N:109.869 } :: atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } atom: 622 53G-H N 9.053 ambi=1 { N:109.869 } ::sumAvg: 4.72 atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } :: atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } :: atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } :: atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } ::sumAvg: 4.665 atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } :: atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } ::sumAvg: 4.665 atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } :: atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } :: atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } :: atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } ::sumAvg: 4.965 atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } atom: 963 83L-H N 8.687 ambi=1 { N:121.184 } :: atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } atom: 963 83L-H N 8.687 ambi=1 { N:121.184 } ::sumAvg: 4.705 atom: 966 83L-HB3 B 1.146 ambi=2 { CB:42.773 } atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } ::sumAvg: 3.665 atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } :: atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } ::sumAvg: 4.45 atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } :: atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } ::sumAvg: 4.45 atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } atom: 988 85I-H N 9.042 ambi=1 { N:120.723 } :: atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } atom: 988 85I-H N 9.042 ambi=1 { N:120.723 } ::sumAvg: 4.605 atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } atom: 993 85I-HG2 G2 0.723 ambi=1 { CG2:15.639 } :: atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } atom: 993 85I-HG2 G2 0.723 ambi=1 { CG2:15.639 } ::sumAvg: 4.035 atom: 993 85I-HG2 G2 0.723 ambi=1 { CG2:15.639 } atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } :: atom: 993 85I-HG2 G2 0.723 ambi=1 { CG2:15.639 } atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } ::sumAvg: 4.035 atom: 994 85I-HD1 D1 0.563 ambi=1 { CD1:13.482 } atom: 595 51I-HG12 G1 1.586 ambi=2 { CG1:29 } :: atom: 994 85I-HD1 D1 0.563 ambi=1 { CD1:13.482 } atom: 596 51I-HG13 G1 1.476 ambi=2 { CG1:29 } ::sumAvg: 3.985 atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } ::sumAvg: 4.635 atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } ::sumAvg: 4.635 atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } atom: 963 83L-H N 8.687 ambi=1 { N:121.184 } ::sumAvg: 4.84 atom: 965 83L-HB2 B 1.752 ambi=2 { CB:42.773 } atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } :: atom: 966 83L-HB3 B 1.146 ambi=2 { CB:42.773 } atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } ::sumAvg: 3.88 atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } atom: 990 85I-HB B 1.396 ambi=1 { CB:41.988 } ::sumAvg: 4.88 atom: 990 85I-HB B 1.396 ambi=1 { CB:41.988 } atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } ::sumAvg: 4.88 atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } atom: 991 85I-HG12 G1 1.368 ambi=2 { CG1:28.708 } ::sumAvg: 4.795 atom: 991 85I-HG12 G1 1.368 ambi=2 { CG1:28.708 } atom: 597 51I-HG2 G2 0.508 ambi=1 { CG2:15.339 } ::sumAvg: 4.795 atom: 598 51I-HD1 D1 0.581 ambi=1 { CD1:15.949 } atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } ::sumAvg: 4.95 atom: 598 51I-HD1 D1 0.581 ambi=1 { CD1:15.949 } atom: 963 83L-H N 8.687 ambi=1 { N:121.184 } ::sumAvg: 4.94 atom: 598 51I-HD1 D1 0.581 ambi=1 { CD1:15.949 } atom: 967 83L-HG G 1.688 ambi=1 { CG:26.613 } ::sumAvg: 3.775 atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } atom: 598 51I-HD1 D1 0.581 ambi=1 { CD1:15.949 } ::sumAvg: 4.23 atom: 598 51I-HD1 D1 0.581 ambi=1 { CD1:15.949 } atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } ::sumAvg: 4.505 atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 598 51I-HD1 D1 0.581 ambi=1 { CD1:15.949 } ::sumAvg: 4.505 atom: 598 51I-HD1 D1 0.581 ambi=1 { CD1:15.949 } atom: 990 85I-HB B 1.396 ambi=1 { CB:41.988 } ::sumAvg: 3.265 atom: 598 51I-HD1 D1 0.581 ambi=1 { CD1:15.949 } atom: 991 85I-HG12 G1 1.368 ambi=2 { CG1:28.708 } ::sumAvg: 3.48 atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 606 52R-H N 7.513 ambi=1 { N:125.893 } ::sumAvg: 2.92 atom: 612 52R-QD D 3.08 ambi=2 { CD:43.423 } atom: 606 52R-H N 7.513 ambi=1 { N:125.893 } ::sumAvg: 4.525 atom: 965 83L-HB2 B 1.752 ambi=2 { CB:42.773 } atom: 606 52R-H N 7.513 ambi=1 { N:125.893 } :: atom: 966 83L-HB3 B 1.146 ambi=2 { CB:42.773 } atom: 606 52R-H N 7.513 ambi=1 { N:125.893 } ::sumAvg: 4.585 atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } atom: 606 52R-H N 7.513 ambi=1 { N:125.893 } ::sumAvg: 3.925 atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 608 52R-HB2 B 1.875 ambi=2 { CB:32.022 } :: atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 609 52R-HB3 B 1.741 ambi=2 { CB:32.022 } ::sumAvg: 2.39 atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 610 52R-HG2 G 1.548 ambi=2 { CG:28.021 } :: atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 611 52R-HG3 G 1.466 ambi=2 { CG:28.021 } ::sumAvg: 2.51 atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 612 52R-QD D 3.08 ambi=2 { CD:43.423 } ::sumAvg: 3.935 atom: 612 52R-QD D 3.08 ambi=2 { CD:43.423 } atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } ::sumAvg: 3.935 atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 622 53G-H N 9.053 ambi=1 { N:109.869 } ::sumAvg: 2.19 atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } :: atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } ::sumAvg: 4.385 atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 607 52R-HA A 4.923 ambi=1 { CA:55.652 } ::sumAvg: 4.385 atom: 608 52R-HB2 B 1.875 ambi=2 { CB:32.022 } atom: 614 52R-HE E 7.118 ambi=1 { NE:84.268 } :: atom: 609 52R-HB3 B 1.741 ambi=2 { CB:32.022 } atom: 614 52R-HE E 7.118 ambi=1 { NE:84.268 } ::sumAvg: 3.62 atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 608 52R-HB2 B 1.875 ambi=2 { CB:32.022 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 608 52R-HB2 B 1.875 ambi=2 { CB:32.022 } :: atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 609 52R-HB3 B 1.741 ambi=2 { CB:32.022 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 609 52R-HB3 B 1.741 ambi=2 { CB:32.022 } ::sumAvg: 4.805 atom: 608 52R-HB2 B 1.875 ambi=2 { CB:32.022 } atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } :: atom: 609 52R-HB3 B 1.741 ambi=2 { CB:32.022 } atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } ::sumAvg: 3.91 atom: 612 52R-QD D 3.08 ambi=2 { CD:43.423 } atom: 622 53G-H N 9.053 ambi=1 { N:109.869 } ::sumAvg: 4.96 atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } ::sumAvg: 4.415 atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } :: atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } ::sumAvg: 4.415 atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } ::sumAvg: 4.475 atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } :: atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } ::sumAvg: 4.475 atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } :: atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } ::sumAvg: 4.975 atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } :: atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } :: atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } :: atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } ::sumAvg: 4.975 atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } :: atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } ::sumAvg: 4.05 atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } :: atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } :: atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } :: atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } ::sumAvg: 4.05 atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } ::sumAvg: 4.07 atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } :: atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } ::sumAvg: 4.07 atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } ::sumAvg: 4.675 atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } :: atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } ::sumAvg: 4.675 atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 990 85I-HB B 1.396 ambi=1 { CB:41.988 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 990 85I-HB B 1.396 ambi=1 { CB:41.988 } ::sumAvg: 3.395 atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 991 85I-HG12 G1 1.368 ambi=2 { CG1:28.708 } :: atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 992 85I-HG13 G1 0.567 ambi=2 { CG1:28.708 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 991 85I-HG12 G1 1.368 ambi=2 { CG1:28.708 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 992 85I-HG13 G1 0.567 ambi=2 { CG1:28.708 } ::sumAvg: 4.14 atom: 991 85I-HG12 G1 1.368 ambi=2 { CG1:28.708 } atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } :: atom: 992 85I-HG13 G1 0.567 ambi=2 { CG1:28.708 } atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } :: atom: 991 85I-HG12 G1 1.368 ambi=2 { CG1:28.708 } atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } :: atom: 992 85I-HG13 G1 0.567 ambi=2 { CG1:28.708 } atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } ::sumAvg: 4.14 atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } atom: 994 85I-HD1 D1 0.563 ambi=1 { CD1:13.482 } :: atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } atom: 994 85I-HD1 D1 0.563 ambi=1 { CD1:13.482 } ::sumAvg: 4.025 atom: 994 85I-HD1 D1 0.563 ambi=1 { CD1:13.482 } atom: 623 53G-HA2 A 5.493 ambi=2 { CA:44.264 } :: atom: 994 85I-HD1 D1 0.563 ambi=1 { CD1:13.482 } atom: 624 53G-HA3 A 3.031 ambi=2 { CA:44.264 } ::sumAvg: 4.025 atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 628 54T-H N 8.516 ambi=1 { N:116.809 } ::sumAvg: 2.955 atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } atom: 628 54T-H N 8.516 ambi=1 { N:116.809 } ::sumAvg: 4.89 atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } atom: 628 54T-H N 8.516 ambi=1 { N:116.809 } ::sumAvg: 4.94 atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 628 54T-H N 8.516 ambi=1 { N:116.809 } ::sumAvg: 4.985 atom: 990 85I-HB B 1.396 ambi=1 { CB:41.988 } atom: 628 54T-H N 8.516 ambi=1 { N:116.809 } ::sumAvg: 4.35 atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } atom: 628 54T-H N 8.516 ambi=1 { N:116.809 } ::sumAvg: 3.36 atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 630 54T-HB B 3.673 ambi=1 { CB:70.681 } ::sumAvg: 2.77 atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } ::sumAvg: 2.34 atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } ::sumAvg: 2.155 atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } :: atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } ::sumAvg: 4.46 atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } :: atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } ::sumAvg: 4.46 atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } ::sumAvg: 3.885 atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } ::sumAvg: 3.885 atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } :: atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } ::sumAvg: 4.685 atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } :: atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } ::sumAvg: 4.685 atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } :: atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } ::sumAvg: 4.185 atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } :: atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } atom: 629 54T-HA A 4.629 ambi=1 { CA:62 } ::sumAvg: 4.185 atom: 630 54T-HB B 3.673 ambi=1 { CB:70.681 } atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } ::sumAvg: 4.925 atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } atom: 630 54T-HB B 3.673 ambi=1 { CB:70.681 } ::sumAvg: 4.925 atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } atom: 630 54T-HB B 3.673 ambi=1 { CB:70.681 } ::sumAvg: 3.13 atom: 630 54T-HB B 3.673 ambi=1 { CB:70.681 } atom: 1004 86S-HB2 B 4.172 ambi=2 { CB:62.971 } ::sumAvg: 4.775 atom: 1004 86S-HB2 B 4.172 ambi=2 { CB:62.971 } atom: 630 54T-HB B 3.673 ambi=1 { CB:70.681 } ::sumAvg: 4.775 atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } atom: 630 54T-HB B 3.673 ambi=1 { CB:70.681 } :: atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } atom: 630 54T-HB B 3.673 ambi=1 { CB:70.681 } ::sumAvg: 4.315 atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } ::sumAvg: 4.715 atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } ::sumAvg: 4.715 atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } ::sumAvg: 4.985 atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } ::sumAvg: 4.7 atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } atom: 660 56W-HH2 H2 6.939 ambi=1 { CH2:124.431 } ::sumAvg: 4.085 atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } ::sumAvg: 3.91 atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } ::sumAvg: 3.91 atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } atom: 1004 86S-HB2 B 4.172 ambi=2 { CB:62.971 } :: atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } atom: 1005 86S-HB3 B 3.913 ambi=2 { CB:62.971 } ::sumAvg: 4.795 atom: 1004 86S-HB2 B 4.172 ambi=2 { CB:62.971 } atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } :: atom: 1005 86S-HB3 B 3.913 ambi=2 { CB:62.971 } atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } ::sumAvg: 4.795 atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } :: atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } ::sumAvg: 4.585 atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } :: atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } atom: 631 54T-HG2 G2 0.145 ambi=1 { CG2:22.729 } ::sumAvg: 4.585 atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } ::sumAvg: 2.915 atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } ::sumAvg: 4.865 atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } ::sumAvg: 4.725 atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } :: atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } atom: 637 55L-H N 8.804 ambi=1 { N:126.567 } ::sumAvg: 4.15 atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } ::sumAvg: 3.045 atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } ::sumAvg: 4.425 atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } ::sumAvg: 4.425 atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } atom: 653 56W-HB2 B 3.345 ambi=2 { CB:32.242 } :: atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } atom: 654 56W-HB3 B 3.224 ambi=2 { CB:32.242 } ::sumAvg: 4.555 atom: 653 56W-HB2 B 3.345 ambi=2 { CB:32.242 } atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } :: atom: 654 56W-HB3 B 3.224 ambi=2 { CB:32.242 } atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } ::sumAvg: 4.555 atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } ::sumAvg: 3.87 atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } :: atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } ::sumAvg: 3.23 atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } :: atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } ::sumAvg: 3.23 atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } :: atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } ::sumAvg: 3.11 atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } ::sumAvg: 4.98 atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } ::sumAvg: 4.98 atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } ::sumAvg: 3.77 atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } :: atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } ::sumAvg: 3.375 atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } :: atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } atom: 638 55L-HA A 4.467 ambi=1 { CA:53.468 } ::sumAvg: 3.375 atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } atom: 651 56W-H N 9.44 ambi=1 { N:122.317 } :: atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 651 56W-H N 9.44 ambi=1 { N:122.317 } ::sumAvg: 3.43 atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } :: atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } ::sumAvg: 4.84 atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } :: atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } ::sumAvg: 4.84 atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } atom: 694 59L-H N 7.931 ambi=1 { N:118.982 } :: atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 694 59L-H N 7.931 ambi=1 { N:118.982 } ::sumAvg: 4.615 atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } atom: 695 59L-HA A 4.339 ambi=1 { CA:56.194 } :: atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 695 59L-HA A 4.339 ambi=1 { CA:56.194 } ::sumAvg: 4.12 atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } :: atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } ::sumAvg: 2.4 atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } :: atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } ::sumAvg: 3.92 atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } :: atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } ::sumAvg: 3.62 atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } ::sumAvg: 3.49 atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } ::sumAvg: 3.49 atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } atom: 715 61D-H N 6.997 ambi=1 { N:112.739 } :: atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 715 61D-H N 6.997 ambi=1 { N:112.739 } ::sumAvg: 4.95 atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } atom: 723 62F-H N 7.851 ambi=1 { N:124.447 } :: atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 723 62F-H N 7.851 ambi=1 { N:124.447 } ::sumAvg: 4.665 atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } atom: 725 62F-HB2 B 3.302 ambi=2 { CB:40.472 } :: atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } atom: 726 62F-HB3 B 2.935 ambi=2 { CB:40.472 } :: atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 725 62F-HB2 B 3.302 ambi=2 { CB:40.472 } :: atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 726 62F-HB3 B 2.935 ambi=2 { CB:40.472 } ::sumAvg: 4.285 atom: 725 62F-HB2 B 3.302 ambi=2 { CB:40.472 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } :: atom: 726 62F-HB3 B 2.935 ambi=2 { CB:40.472 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } :: atom: 725 62F-HB2 B 3.302 ambi=2 { CB:40.472 } atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } :: atom: 726 62F-HB3 B 2.935 ambi=2 { CB:40.472 } atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } ::sumAvg: 4.285 atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } ::sumAvg: 4.525 atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } ::sumAvg: 4.525 atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } :: atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } ::sumAvg: 4.675 atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } :: atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } ::sumAvg: 4.385 atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } atom: 639 55L-HB2 B 1.82 ambi=2 { CB:42.053 } :: atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } atom: 640 55L-HB3 B 1.098 ambi=2 { CB:42.053 } ::sumAvg: 4.385 atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } ::sumAvg: 4.59 atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } ::sumAvg: 4.59 atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } ::sumAvg: 4.675 atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } ::sumAvg: 4.675 atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } :: atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } ::sumAvg: 4.945 atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } ::sumAvg: 4.295 atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } ::sumAvg: 4.295 atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } :: atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } ::sumAvg: 3.42 atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } :: atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } ::sumAvg: 3.42 atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } ::sumAvg: 4.695 atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } ::sumAvg: 4.695 atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } ::sumAvg: 3.82 atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } atom: 641 55L-HG G 1.537 ambi=1 { CG:27.133 } ::sumAvg: 3.82 atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } :: atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } ::sumAvg: 4.995 atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } atom: 695 59L-HA A 4.339 ambi=1 { CA:56.194 } :: atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } atom: 695 59L-HA A 4.339 ambi=1 { CA:56.194 } ::sumAvg: 4.1 atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } ::sumAvg: 4.09 atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } ::sumAvg: 4.09 atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } atom: 724 62F-HA A 4.099 ambi=1 { CA:59.847 } :: atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } atom: 724 62F-HA A 4.099 ambi=1 { CA:59.847 } ::sumAvg: 4.93 atom: 724 62F-HA A 4.099 ambi=1 { CA:59.847 } atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } :: atom: 724 62F-HA A 4.099 ambi=1 { CA:59.847 } atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } ::sumAvg: 4.93 atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } :: atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } ::sumAvg: 4.375 atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } :: atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } ::sumAvg: 4.54 atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } atom: 1041 90I-H N 8.127 ambi=1 { N:121.454 } :: atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } atom: 1041 90I-H N 8.127 ambi=1 { N:121.454 } ::sumAvg: 4.885 atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } :: atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } ::sumAvg: 4.96 atom: 642 55L-HD1 D1 0.922 ambi=2 { CD1:25.764 } atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } :: atom: 643 55L-HD2 D2 0.779 ambi=2 { CD2:24.522 } atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } ::sumAvg: 2.97 atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 651 56W-H N 9.44 ambi=1 { N:122.317 } ::sumAvg: 2.935 atom: 698 59L-HG G 1.899 ambi=1 { CG:27.818 } atom: 651 56W-H N 9.44 ambi=1 { N:122.317 } ::sumAvg: 4.395 atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } atom: 651 56W-H N 9.44 ambi=1 { N:122.317 } ::sumAvg: 3.5 atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } atom: 651 56W-H N 9.44 ambi=1 { N:122.317 } :: atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } atom: 651 56W-H N 9.44 ambi=1 { N:122.317 } ::sumAvg: 4.47 atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } ::sumAvg: 4.245 atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 657 56W-HE3 E3 7.683 ambi=1 { CE3:120.219 } ::sumAvg: 2.89 atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } ::sumAvg: 2.17 atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } ::sumAvg: 4.395 atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } ::sumAvg: 4.395 atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } :: atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } ::sumAvg: 4.95 atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } :: atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } ::sumAvg: 4.95 atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } :: atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } ::sumAvg: 4.33 atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } :: atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } ::sumAvg: 4.695 atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } :: atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } ::sumAvg: 4.695 atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } ::sumAvg: 4.69 atom: 652 56W-HA A 5.033 ambi=1 { CA:56.493 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } ::sumAvg: 3.725 atom: 653 56W-HB2 B 3.345 ambi=2 { CB:32.242 } atom: 656 56W-HE1 E1 9.976 ambi=1 { NE1:129.108 } :: atom: 654 56W-HB3 B 3.224 ambi=2 { CB:32.242 } atom: 656 56W-HE1 E1 9.976 ambi=1 { NE1:129.108 } ::sumAvg: 4.755 atom: 653 56W-HB2 B 3.345 ambi=2 { CB:32.242 } atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } :: atom: 654 56W-HB3 B 3.224 ambi=2 { CB:32.242 } atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } ::sumAvg: 4.885 atom: 653 56W-HB2 B 3.345 ambi=2 { CB:32.242 } atom: 675 57N-HD21 D2 8.104 ambi=1 { ND2:115.283 } :: atom: 653 56W-HB2 B 3.345 ambi=2 { CB:32.242 } atom: 676 57N-HD22 D2 7.15 ambi=1 { ND2:115.283 } :: atom: 654 56W-HB3 B 3.224 ambi=2 { CB:32.242 } atom: 675 57N-HD21 D2 8.104 ambi=1 { ND2:115.283 } :: atom: 654 56W-HB3 B 3.224 ambi=2 { CB:32.242 } atom: 676 57N-HD22 D2 7.15 ambi=1 { ND2:115.283 } ::sumAvg: 4.33 atom: 653 56W-HB2 B 3.345 ambi=2 { CB:32.242 } atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } :: atom: 653 56W-HB2 B 3.345 ambi=2 { CB:32.242 } atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } :: atom: 654 56W-HB3 B 3.224 ambi=2 { CB:32.242 } atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } :: atom: 654 56W-HB3 B 3.224 ambi=2 { CB:32.242 } atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } ::sumAvg: 4.345 atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } atom: 653 56W-HB2 B 3.345 ambi=2 { CB:32.242 } :: atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } atom: 653 56W-HB2 B 3.345 ambi=2 { CB:32.242 } :: atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } atom: 654 56W-HB3 B 3.224 ambi=2 { CB:32.242 } :: atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } atom: 654 56W-HB3 B 3.224 ambi=2 { CB:32.242 } ::sumAvg: 4.345 atom: 653 56W-HB2 B 3.345 ambi=2 { CB:32.242 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } :: atom: 653 56W-HB2 B 3.345 ambi=2 { CB:32.242 } atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } :: atom: 654 56W-HB3 B 3.224 ambi=2 { CB:32.242 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } :: atom: 654 56W-HB3 B 3.224 ambi=2 { CB:32.242 } atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } ::sumAvg: 3.12 atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } :: atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } ::sumAvg: 3.795 atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } ::sumAvg: 3.47 atom: 1004 86S-HB2 B 4.172 ambi=2 { CB:62.971 } atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } :: atom: 1005 86S-HB3 B 3.913 ambi=2 { CB:62.971 } atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } ::sumAvg: 4.805 atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } ::sumAvg: 3.79 atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } :: atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } atom: 655 56W-HD1 D1 7.34 ambi=1 { CD1:128.102 } ::sumAvg: 4.53 atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } atom: 656 56W-HE1 E1 9.976 ambi=1 { NE1:129.108 } ::sumAvg: 2.515 atom: 1004 86S-HB2 B 4.172 ambi=2 { CB:62.971 } atom: 656 56W-HE1 E1 9.976 ambi=1 { NE1:129.108 } :: atom: 1005 86S-HB3 B 3.913 ambi=2 { CB:62.971 } atom: 656 56W-HE1 E1 9.976 ambi=1 { NE1:129.108 } ::sumAvg: 2.955 atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } atom: 656 56W-HE1 E1 9.976 ambi=1 { NE1:129.108 } :: atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } atom: 656 56W-HE1 E1 9.976 ambi=1 { NE1:129.108 } ::sumAvg: 4.94 atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } atom: 658 56W-HZ2 Z2 7.423 ambi=1 { CZ2:114.58 } ::sumAvg: 4.585 atom: 1004 86S-HB2 B 4.172 ambi=2 { CB:62.971 } atom: 658 56W-HZ2 Z2 7.423 ambi=1 { CZ2:114.58 } :: atom: 1005 86S-HB3 B 3.913 ambi=2 { CB:62.971 } atom: 658 56W-HZ2 Z2 7.423 ambi=1 { CZ2:114.58 } ::sumAvg: 4.245 atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } :: atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } atom: 671 57N-H N 9.413 ambi=1 { N:119.168 } ::sumAvg: 3.805 atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } atom: 675 57N-HD21 D2 8.104 ambi=1 { ND2:115.283 } :: atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } atom: 676 57N-HD22 D2 7.15 ambi=1 { ND2:115.283 } ::sumAvg: 4.44 atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } atom: 694 59L-H N 7.931 ambi=1 { N:118.982 } ::sumAvg: 4.51 atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } ::sumAvg: 4.445 atom: 672 57N-HA A 4.539 ambi=1 { CA:55.159 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } ::sumAvg: 4.005 atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } atom: 684 58E-HA A 4.225 ambi=1 { CA:60.654 } :: atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } atom: 684 58E-HA A 4.225 ambi=1 { CA:60.654 } ::sumAvg: 4.14 atom: 684 58E-HA A 4.225 ambi=1 { CA:60.654 } atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } :: atom: 684 58E-HA A 4.225 ambi=1 { CA:60.654 } atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } ::sumAvg: 4.14 atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } atom: 685 58E-QB B 2.202 ambi=2 { CB:28.259 } :: atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } atom: 685 58E-QB B 2.202 ambi=2 { CB:28.259 } ::sumAvg: 3.685 atom: 685 58E-QB B 2.202 ambi=2 { CB:28.259 } atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } :: atom: 685 58E-QB B 2.202 ambi=2 { CB:28.259 } atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } ::sumAvg: 3.685 atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } atom: 687 58E-QG G 2.51 ambi=2 { CG:36.553 } :: atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } atom: 687 58E-QG G 2.51 ambi=2 { CG:36.553 } ::sumAvg: 4.31 atom: 687 58E-QG G 2.51 ambi=2 { CG:36.553 } atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } :: atom: 687 58E-QG G 2.51 ambi=2 { CG:36.553 } atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } ::sumAvg: 4.31 atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } atom: 694 59L-H N 7.931 ambi=1 { N:118.982 } :: atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } atom: 694 59L-H N 7.931 ambi=1 { N:118.982 } ::sumAvg: 3.41 atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } :: atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } :: atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } :: atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } ::sumAvg: 4.685 atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } :: atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } :: atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } :: atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } ::sumAvg: 4.685 atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } atom: 698 59L-HG G 1.899 ambi=1 { CG:27.818 } :: atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } atom: 698 59L-HG G 1.899 ambi=1 { CG:27.818 } ::sumAvg: 4.38 atom: 698 59L-HG G 1.899 ambi=1 { CG:27.818 } atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } :: atom: 698 59L-HG G 1.899 ambi=1 { CG:27.818 } atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } ::sumAvg: 4.38 atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } :: atom: 673 57N-HB2 B 3.318 ambi=2 { CB:36.898 } atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } :: atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } :: atom: 674 57N-HB3 B 3.065 ambi=2 { CB:36.898 } atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } ::sumAvg: 4.6 atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } atom: 683 58E-H N 10.032 ambi=1 { N:127.238 } :: atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } atom: 683 58E-H N 10.032 ambi=1 { N:127.238 } ::sumAvg: 4.855 atom: 698 59L-HG G 1.899 ambi=1 { CG:27.818 } atom: 683 58E-H N 10.032 ambi=1 { N:127.238 } ::sumAvg: 4.505 atom: 684 58E-HA A 4.225 ambi=1 { CA:60.654 } atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } ::sumAvg: 3.79 atom: 684 58E-HA A 4.225 ambi=1 { CA:60.654 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } ::sumAvg: 4.315 atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 684 58E-HA A 4.225 ambi=1 { CA:60.654 } ::sumAvg: 4.315 atom: 717 61D-HB2 B 2.954 ambi=2 { CB:41.769 } atom: 684 58E-HA A 4.225 ambi=1 { CA:60.654 } :: atom: 718 61D-HB3 B 2.476 ambi=2 { CB:41.769 } atom: 684 58E-HA A 4.225 ambi=1 { CA:60.654 } ::sumAvg: 4.165 atom: 685 58E-QB B 2.202 ambi=2 { CB:28.259 } atom: 695 59L-HA A 4.339 ambi=1 { CA:56.194 } ::sumAvg: 4.08 atom: 685 58E-QB B 2.202 ambi=2 { CB:28.259 } atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } ::sumAvg: 4.9 atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } atom: 685 58E-QB B 2.202 ambi=2 { CB:28.259 } ::sumAvg: 4.9 atom: 685 58E-QB B 2.202 ambi=2 { CB:28.259 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } :: atom: 685 58E-QB B 2.202 ambi=2 { CB:28.259 } atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } ::sumAvg: 3.94 atom: 685 58E-QB B 2.202 ambi=2 { CB:28.259 } atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } ::sumAvg: 4.635 atom: 685 58E-QB B 2.202 ambi=2 { CB:28.259 } atom: 715 61D-H N 6.997 ambi=1 { N:112.739 } ::sumAvg: 4.79 atom: 685 58E-QB B 2.202 ambi=2 { CB:28.259 } atom: 717 61D-HB2 B 2.954 ambi=2 { CB:41.769 } ::sumAvg: 4.92 atom: 717 61D-HB2 B 2.954 ambi=2 { CB:41.769 } atom: 685 58E-QB B 2.202 ambi=2 { CB:28.259 } ::sumAvg: 4.92 atom: 687 58E-QG G 2.51 ambi=2 { CG:36.553 } atom: 695 59L-HA A 4.339 ambi=1 { CA:56.194 } ::sumAvg: 4.855 atom: 695 59L-HA A 4.339 ambi=1 { CA:56.194 } atom: 687 58E-QG G 2.51 ambi=2 { CG:36.553 } ::sumAvg: 4.855 atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 694 59L-H N 7.931 ambi=1 { N:118.982 } ::sumAvg: 4.205 atom: 695 59L-HA A 4.339 ambi=1 { CA:56.194 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } ::sumAvg: 4.975 atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 695 59L-HA A 4.339 ambi=1 { CA:56.194 } ::sumAvg: 4.975 atom: 695 59L-HA A 4.339 ambi=1 { CA:56.194 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } ::sumAvg: 3.79 atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } atom: 695 59L-HA A 4.339 ambi=1 { CA:56.194 } ::sumAvg: 3.79 atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } :: atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } ::sumAvg: 4.31 atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } :: atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } ::sumAvg: 4.31 atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } :: atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } ::sumAvg: 4.17 atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } :: atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } ::sumAvg: 4.17 atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } atom: 715 61D-H N 6.997 ambi=1 { N:112.739 } :: atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } atom: 715 61D-H N 6.997 ambi=1 { N:112.739 } ::sumAvg: 4.96 atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } atom: 725 62F-HB2 B 3.302 ambi=2 { CB:40.472 } :: atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } atom: 726 62F-HB3 B 2.935 ambi=2 { CB:40.472 } :: atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } atom: 725 62F-HB2 B 3.302 ambi=2 { CB:40.472 } :: atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } atom: 726 62F-HB3 B 2.935 ambi=2 { CB:40.472 } ::sumAvg: 4.12 atom: 725 62F-HB2 B 3.302 ambi=2 { CB:40.472 } atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } :: atom: 726 62F-HB3 B 2.935 ambi=2 { CB:40.472 } atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } :: atom: 725 62F-HB2 B 3.302 ambi=2 { CB:40.472 } atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } :: atom: 726 62F-HB3 B 2.935 ambi=2 { CB:40.472 } atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } ::sumAvg: 4.12 atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } ::sumAvg: 4.11 atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } ::sumAvg: 4.11 atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } ::sumAvg: 4.97 atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } ::sumAvg: 4.97 atom: 696 59L-HB2 B 1.951 ambi=2 { CB:41.686 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } :: atom: 697 59L-HB3 B 1.647 ambi=2 { CB:41.686 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } ::sumAvg: 3.175 atom: 698 59L-HG G 1.899 ambi=1 { CG:27.818 } atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } ::sumAvg: 4.53 atom: 698 59L-HG G 1.899 ambi=1 { CG:27.818 } atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } :: atom: 698 59L-HG G 1.899 ambi=1 { CG:27.818 } atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } ::sumAvg: 4.715 atom: 698 59L-HG G 1.899 ambi=1 { CG:27.818 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } ::sumAvg: 4.605 atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } :: atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } atom: 708 60A-H N 7.812 ambi=1 { N:119.898 } ::sumAvg: 4.72 atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } :: atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } ::sumAvg: 4.235 atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } :: atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } ::sumAvg: 4.3 atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } :: atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } ::sumAvg: 4.3 atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } :: atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } ::sumAvg: 2.705 atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } :: atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } ::sumAvg: 3.86 atom: 1022 88D-HA A 4.95 ambi=1 { CA:55.067 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } :: atom: 1022 88D-HA A 4.95 ambi=1 { CA:55.067 } atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } ::sumAvg: 2.625 atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } atom: 1023 88D-QB B 2.656 ambi=2 { CB:43.02 } :: atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } atom: 1023 88D-QB B 2.656 ambi=2 { CB:43.02 } ::sumAvg: 4.005 atom: 1023 88D-QB B 2.656 ambi=2 { CB:43.02 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } :: atom: 1023 88D-QB B 2.656 ambi=2 { CB:43.02 } atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } ::sumAvg: 4.005 atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } :: atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } ::sumAvg: 2.805 atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } atom: 1031 89N-HB2 B 2.647 ambi=2 { CB:42.212 } :: atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } atom: 1032 89N-HB3 B 2.595 ambi=2 { CB:42.212 } :: atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } atom: 1031 89N-HB2 B 2.647 ambi=2 { CB:42.212 } :: atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } atom: 1032 89N-HB3 B 2.595 ambi=2 { CB:42.212 } ::sumAvg: 4.71 atom: 1031 89N-HB2 B 2.647 ambi=2 { CB:42.212 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } :: atom: 1032 89N-HB3 B 2.595 ambi=2 { CB:42.212 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } :: atom: 1031 89N-HB2 B 2.647 ambi=2 { CB:42.212 } atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } :: atom: 1032 89N-HB3 B 2.595 ambi=2 { CB:42.212 } atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } ::sumAvg: 4.71 atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } :: atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } ::sumAvg: 4.89 atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } :: atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } ::sumAvg: 4.89 atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } :: atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } ::sumAvg: 3.675 atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } :: atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } atom: 700 59L-HD2 D2 0.895 ambi=2 { CD2:23.959 } ::sumAvg: 3.675 atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } ::sumAvg: 4.375 atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } atom: 699 59L-HD1 D1 0.984 ambi=2 { CD1:24.999 } ::sumAvg: 4.375 atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } ::sumAvg: 4.7 atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } ::sumAvg: 4.7 atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } atom: 725 62F-HB2 B 3.302 ambi=2 { CB:40.472 } :: atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } atom: 726 62F-HB3 B 2.935 ambi=2 { CB:40.472 } ::sumAvg: 4.48 atom: 725 62F-HB2 B 3.302 ambi=2 { CB:40.472 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } :: atom: 726 62F-HB3 B 2.935 ambi=2 { CB:40.472 } atom: 709 60A-HA A 3.955 ambi=1 { CA:53.722 } ::sumAvg: 4.48 atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } ::sumAvg: 4.055 atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } ::sumAvg: 4.055 atom: 717 61D-HB2 B 2.954 ambi=2 { CB:41.769 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } :: atom: 718 61D-HB3 B 2.476 ambi=2 { CB:41.769 } atom: 710 60A-HB B 1.215 ambi=1 { CB:17.436 } ::sumAvg: 4.58 atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } atom: 715 61D-H N 6.997 ambi=1 { N:112.739 } ::sumAvg: 2.88 atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } atom: 717 61D-HB2 B 2.954 ambi=2 { CB:41.769 } :: atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } atom: 718 61D-HB3 B 2.476 ambi=2 { CB:41.769 } ::sumAvg: 2.37 atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } atom: 723 62F-H N 7.851 ambi=1 { N:124.447 } ::sumAvg: 3.355 atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } atom: 724 62F-HA A 4.099 ambi=1 { CA:59.847 } ::sumAvg: 4.845 atom: 724 62F-HA A 4.099 ambi=1 { CA:59.847 } atom: 716 61D-HA A 4.796 ambi=1 { CA:54.728 } ::sumAvg: 4.845 atom: 717 61D-HB2 B 2.954 ambi=2 { CB:41.769 } atom: 724 62F-HA A 4.099 ambi=1 { CA:59.847 } :: atom: 718 61D-HB3 B 2.476 ambi=2 { CB:41.769 } atom: 724 62F-HA A 4.099 ambi=1 { CA:59.847 } ::sumAvg: 4.73 atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } atom: 723 62F-H N 7.851 ambi=1 { N:124.447 } ::sumAvg: 4.815 atom: 724 62F-HA A 4.099 ambi=1 { CA:59.847 } atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } ::sumAvg: 4.595 atom: 724 62F-HA A 4.099 ambi=1 { CA:59.847 } atom: 743 63E-HB2 B 1.745 ambi=2 { CB:28.718 } :: atom: 724 62F-HA A 4.099 ambi=1 { CA:59.847 } atom: 744 63E-HB3 B 1.68 ambi=2 { CB:28.718 } ::sumAvg: 4.5 atom: 743 63E-HB2 B 1.745 ambi=2 { CB:28.718 } atom: 724 62F-HA A 4.099 ambi=1 { CA:59.847 } :: atom: 744 63E-HB3 B 1.68 ambi=2 { CB:28.718 } atom: 724 62F-HA A 4.099 ambi=1 { CA:59.847 } ::sumAvg: 4.5 atom: 724 62F-HA A 4.099 ambi=1 { CA:59.847 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } ::sumAvg: 4.73 atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } atom: 724 62F-HA A 4.099 ambi=1 { CA:59.847 } ::sumAvg: 4.73 atom: 725 62F-HB2 B 3.302 ambi=2 { CB:40.472 } atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } :: atom: 726 62F-HB3 B 2.935 ambi=2 { CB:40.472 } atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } ::sumAvg: 4.365 atom: 725 62F-HB2 B 3.302 ambi=2 { CB:40.472 } atom: 741 63E-H N 7.929 ambi=1 { N:129.551 } :: atom: 726 62F-HB3 B 2.935 ambi=2 { CB:40.472 } atom: 741 63E-H N 7.929 ambi=1 { N:129.551 } ::sumAvg: 4.215 atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } atom: 725 62F-HB2 B 3.302 ambi=2 { CB:40.472 } :: atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } atom: 725 62F-HB2 B 3.302 ambi=2 { CB:40.472 } :: atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } atom: 726 62F-HB3 B 2.935 ambi=2 { CB:40.472 } :: atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } atom: 726 62F-HB3 B 2.935 ambi=2 { CB:40.472 } ::sumAvg: 4.11 atom: 725 62F-HB2 B 3.302 ambi=2 { CB:40.472 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } :: atom: 726 62F-HB3 B 2.935 ambi=2 { CB:40.472 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } ::sumAvg: 2.985 atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } atom: 725 62F-HB2 B 3.302 ambi=2 { CB:40.472 } :: atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } atom: 726 62F-HB3 B 2.935 ambi=2 { CB:40.472 } ::sumAvg: 2.985 atom: 725 62F-HB2 B 3.302 ambi=2 { CB:40.472 } atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } :: atom: 726 62F-HB3 B 2.935 ambi=2 { CB:40.472 } atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } ::sumAvg: 3.845 atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } atom: 725 62F-HB2 B 3.302 ambi=2 { CB:40.472 } :: atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } atom: 726 62F-HB3 B 2.935 ambi=2 { CB:40.472 } ::sumAvg: 3.845 atom: 742 63E-HA A 4.166 ambi=1 { CA:56.734 } atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } ::sumAvg: 4.705 atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } ::sumAvg: 4.615 atom: 1044 90I-HG12 G1 1.446 ambi=2 { CG1:28.55 } atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } :: atom: 1045 90I-HG13 G1 0.569 ambi=2 { CG1:28.55 } atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } ::sumAvg: 3.625 atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } :: atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } ::sumAvg: 4.22 atom: 1064 92I-HG12 G1 1.695 ambi=2 { CG1:27.365 } atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } :: atom: 1065 92I-HG13 G1 1.652 ambi=2 { CG1:27.365 } atom: 727 62F-QD D 7.024 ambi=3 { CD1:131.881 } ::sumAvg: 4.765 atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } ::sumAvg: 3.66 atom: 1044 90I-HG12 G1 1.446 ambi=2 { CG1:28.55 } atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } :: atom: 1045 90I-HG13 G1 0.569 ambi=2 { CG1:28.55 } atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } ::sumAvg: 2.78 atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } :: atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } ::sumAvg: 2.67 atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } ::sumAvg: 4.59 atom: 1063 92I-HB B 2.076 ambi=1 { CB:36.938 } atom: 730 62F-QE E 7.192 ambi=3 { CE1:131.469 } ::sumAvg: 4.68 atom: 1044 90I-HG12 G1 1.446 ambi=2 { CG1:28.55 } atom: 731 62F-HZ Z 7.264 ambi=1 { CZ:129.751 } :: atom: 1045 90I-HG13 G1 0.569 ambi=2 { CG1:28.55 } atom: 731 62F-HZ Z 7.264 ambi=1 { CZ:129.751 } ::sumAvg: 3.385 atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } atom: 731 62F-HZ Z 7.264 ambi=1 { CZ:129.751 } ::sumAvg: 4.03 atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } atom: 731 62F-HZ Z 7.264 ambi=1 { CZ:129.751 } ::sumAvg: 4.235 atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } atom: 731 62F-HZ Z 7.264 ambi=1 { CZ:129.751 } :: atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } atom: 731 62F-HZ Z 7.264 ambi=1 { CZ:129.751 } ::sumAvg: 2.875 atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } atom: 731 62F-HZ Z 7.264 ambi=1 { CZ:129.751 } ::sumAvg: 3.8 atom: 1063 92I-HB B 2.076 ambi=1 { CB:36.938 } atom: 731 62F-HZ Z 7.264 ambi=1 { CZ:129.751 } ::sumAvg: 4.185 atom: 1067 92I-HD1 D1 0.957 ambi=1 { CD1:10.753 } atom: 731 62F-HZ Z 7.264 ambi=1 { CZ:129.751 } ::sumAvg: 3.025 atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } atom: 741 63E-H N 7.929 ambi=1 { N:129.551 } :: atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } atom: 741 63E-H N 7.929 ambi=1 { N:129.551 } ::sumAvg: 4.76 atom: 743 63E-HB2 B 1.745 ambi=2 { CB:28.718 } atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } :: atom: 744 63E-HB3 B 1.68 ambi=2 { CB:28.718 } atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } ::sumAvg: 4.64 atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } atom: 743 63E-HB2 B 1.745 ambi=2 { CB:28.718 } :: atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } atom: 744 63E-HB3 B 1.68 ambi=2 { CB:28.718 } ::sumAvg: 4.64 atom: 743 63E-HB2 B 1.745 ambi=2 { CB:28.718 } atom: 768 65K-HG3 G 1.182 ambi=2 { CG:23.53 } :: atom: 744 63E-HB3 B 1.68 ambi=2 { CB:28.718 } atom: 768 65K-HG3 G 1.182 ambi=2 { CG:23.53 } ::sumAvg: 4.495 atom: 743 63E-HB2 B 1.745 ambi=2 { CB:28.718 } atom: 1067 92I-HD1 D1 0.957 ambi=1 { CD1:10.753 } :: atom: 744 63E-HB3 B 1.68 ambi=2 { CB:28.718 } atom: 1067 92I-HD1 D1 0.957 ambi=1 { CD1:10.753 } ::sumAvg: 4.905 atom: 745 63E-HG2 G 2.08 ambi=2 { CG:35.928 } atom: 767 65K-HG2 G 1.418 ambi=2 { CG:23.53 } :: atom: 745 63E-HG2 G 2.08 ambi=2 { CG:35.928 } atom: 768 65K-HG3 G 1.182 ambi=2 { CG:23.53 } :: atom: 746 63E-HG3 G 2.056 ambi=2 { CG:35.928 } atom: 767 65K-HG2 G 1.418 ambi=2 { CG:23.53 } :: atom: 746 63E-HG3 G 2.056 ambi=2 { CG:35.928 } atom: 768 65K-HG3 G 1.182 ambi=2 { CG:23.53 } ::sumAvg: 4.655 atom: 767 65K-HG2 G 1.418 ambi=2 { CG:23.53 } atom: 745 63E-HG2 G 2.08 ambi=2 { CG:35.928 } :: atom: 768 65K-HG3 G 1.182 ambi=2 { CG:23.53 } atom: 745 63E-HG2 G 2.08 ambi=2 { CG:35.928 } :: atom: 767 65K-HG2 G 1.418 ambi=2 { CG:23.53 } atom: 746 63E-HG3 G 2.056 ambi=2 { CG:35.928 } :: atom: 768 65K-HG3 G 1.182 ambi=2 { CG:23.53 } atom: 746 63E-HG3 G 2.056 ambi=2 { CG:35.928 } ::sumAvg: 4.655 atom: 745 63E-HG2 G 2.08 ambi=2 { CG:35.928 } atom: 771 65K-QE E 2.953 ambi=2 { CE:42.32 } :: atom: 746 63E-HG3 G 2.056 ambi=2 { CG:35.928 } atom: 771 65K-QE E 2.953 ambi=2 { CE:42.32 } ::sumAvg: 4.6 atom: 771 65K-QE E 2.953 ambi=2 { CE:42.32 } atom: 745 63E-HG2 G 2.08 ambi=2 { CG:35.928 } :: atom: 771 65K-QE E 2.953 ambi=2 { CE:42.32 } atom: 746 63E-HG3 G 2.056 ambi=2 { CG:35.928 } ::sumAvg: 4.6 atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } atom: 752 64V-H N 7.492 ambi=1 { N:124.341 } ::sumAvg: 4.965 atom: 767 65K-HG2 G 1.418 ambi=2 { CG:23.53 } atom: 752 64V-H N 7.492 ambi=1 { N:124.341 } :: atom: 768 65K-HG3 G 1.182 ambi=2 { CG:23.53 } atom: 752 64V-H N 7.492 ambi=1 { N:124.341 } ::sumAvg: 4.41 atom: 771 65K-QE E 2.953 ambi=2 { CE:42.32 } atom: 752 64V-H N 7.492 ambi=1 { N:124.341 } ::sumAvg: 4.91 atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } atom: 765 65K-HB2 B 1.764 ambi=2 { CB:36.222 } :: atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } atom: 766 65K-HB3 B 1.711 ambi=2 { CB:36.222 } ::sumAvg: 4.565 atom: 765 65K-HB2 B 1.764 ambi=2 { CB:36.222 } atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } :: atom: 766 65K-HB3 B 1.711 ambi=2 { CB:36.222 } atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } ::sumAvg: 4.565 atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } atom: 767 65K-HG2 G 1.418 ambi=2 { CG:23.53 } :: atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } atom: 768 65K-HG3 G 1.182 ambi=2 { CG:23.53 } ::sumAvg: 3.775 atom: 767 65K-HG2 G 1.418 ambi=2 { CG:23.53 } atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } :: atom: 768 65K-HG3 G 1.182 ambi=2 { CG:23.53 } atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } ::sumAvg: 3.775 atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } atom: 1064 92I-HG12 G1 1.695 ambi=2 { CG1:27.365 } :: atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } atom: 1065 92I-HG13 G1 1.652 ambi=2 { CG1:27.365 } ::sumAvg: 4.35 atom: 1064 92I-HG12 G1 1.695 ambi=2 { CG1:27.365 } atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } :: atom: 1065 92I-HG13 G1 1.652 ambi=2 { CG1:27.365 } atom: 753 64V-HA A 4.55 ambi=1 { CA:59.449 } ::sumAvg: 4.35 atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } atom: 754 64V-HB B 2.176 ambi=1 { CB:33.838 } ::sumAvg: 4.775 atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } :: atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } ::sumAvg: 3.755 atom: 765 65K-HB2 B 1.764 ambi=2 { CB:36.222 } atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } :: atom: 766 65K-HB3 B 1.711 ambi=2 { CB:36.222 } atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } :: atom: 765 65K-HB2 B 1.764 ambi=2 { CB:36.222 } atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } :: atom: 766 65K-HB3 B 1.711 ambi=2 { CB:36.222 } atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } ::sumAvg: 4.92 atom: 767 65K-HG2 G 1.418 ambi=2 { CG:23.53 } atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } ::sumAvg: 4.78 atom: 755 64V-HG1 G1 0.954 ambi=2 { CG1:19.873 } atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } :: atom: 756 64V-HG2 G2 1.071 ambi=2 { CG2:22.813 } atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } ::sumAvg: 4.645 atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } atom: 763 65K-H N 9.121 ambi=1 { N:126.71 } ::sumAvg: 2.94 atom: 771 65K-QE E 2.953 ambi=2 { CE:42.32 } atom: 763 65K-H N 9.121 ambi=1 { N:126.71 } ::sumAvg: 4.745 atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } atom: 763 65K-H N 9.121 ambi=1 { N:126.71 } :: atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } atom: 763 65K-H N 9.121 ambi=1 { N:126.71 } ::sumAvg: 3.555 atom: 1064 92I-HG12 G1 1.695 ambi=2 { CG1:27.365 } atom: 763 65K-H N 9.121 ambi=1 { N:126.71 } :: atom: 1065 92I-HG13 G1 1.652 ambi=2 { CG1:27.365 } atom: 763 65K-H N 9.121 ambi=1 { N:126.71 } ::sumAvg: 4.525 atom: 1066 92I-HG2 G2 0.916 ambi=1 { CG2:17.806 } atom: 763 65K-H N 9.121 ambi=1 { N:126.71 } ::sumAvg: 4.965 atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } atom: 765 65K-HB2 B 1.764 ambi=2 { CB:36.222 } :: atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } atom: 766 65K-HB3 B 1.711 ambi=2 { CB:36.222 } ::sumAvg: 2.415 atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } atom: 767 65K-HG2 G 1.418 ambi=2 { CG:23.53 } :: atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } atom: 768 65K-HG3 G 1.182 ambi=2 { CG:23.53 } ::sumAvg: 2.825 atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } atom: 769 65K-QD D 1.583 ambi=2 { CD:29.049 } ::sumAvg: 3.01 atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } atom: 771 65K-QE E 2.953 ambi=2 { CE:42.32 } ::sumAvg: 4.31 atom: 771 65K-QE E 2.953 ambi=2 { CE:42.32 } atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } ::sumAvg: 4.31 atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } atom: 780 66K-H N 8.38 ambi=1 { N:119.894 } ::sumAvg: 2.285 atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } ::sumAvg: 4.32 atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } ::sumAvg: 4.32 atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } atom: 782 66K-HB2 B 1.716 ambi=2 { CB:32.373 } :: atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } atom: 783 66K-HB3 B 1.655 ambi=2 { CB:32.373 } ::sumAvg: 4.515 atom: 782 66K-HB2 B 1.716 ambi=2 { CB:32.373 } atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } :: atom: 783 66K-HB3 B 1.655 ambi=2 { CB:32.373 } atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } ::sumAvg: 4.515 atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } :: atom: 764 65K-HA A 4.612 ambi=1 { CA:53.915 } atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } ::sumAvg: 4.99 atom: 765 65K-HB2 B 1.764 ambi=2 { CB:36.222 } atom: 771 65K-QE E 2.953 ambi=2 { CE:42.32 } :: atom: 766 65K-HB3 B 1.711 ambi=2 { CB:36.222 } atom: 771 65K-QE E 2.953 ambi=2 { CE:42.32 } ::sumAvg: 3.915 atom: 765 65K-HB2 B 1.764 ambi=2 { CB:36.222 } atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } :: atom: 766 65K-HB3 B 1.711 ambi=2 { CB:36.222 } atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } ::sumAvg: 4.9 atom: 765 65K-HB2 B 1.764 ambi=2 { CB:36.222 } atom: 803 68D-H N 8.119 ambi=1 { N:121.994 } :: atom: 766 65K-HB3 B 1.711 ambi=2 { CB:36.222 } atom: 803 68D-H N 8.119 ambi=1 { N:121.994 } ::sumAvg: 4.5 atom: 765 65K-HB2 B 1.764 ambi=2 { CB:36.222 } atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } :: atom: 765 65K-HB2 B 1.764 ambi=2 { CB:36.222 } atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } :: atom: 766 65K-HB3 B 1.711 ambi=2 { CB:36.222 } atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } :: atom: 766 65K-HB3 B 1.711 ambi=2 { CB:36.222 } atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } ::sumAvg: 3.35 atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } atom: 765 65K-HB2 B 1.764 ambi=2 { CB:36.222 } :: atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } atom: 765 65K-HB2 B 1.764 ambi=2 { CB:36.222 } :: atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } atom: 766 65K-HB3 B 1.711 ambi=2 { CB:36.222 } :: atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } atom: 766 65K-HB3 B 1.711 ambi=2 { CB:36.222 } ::sumAvg: 3.35 atom: 767 65K-HG2 G 1.418 ambi=2 { CG:23.53 } atom: 780 66K-H N 8.38 ambi=1 { N:119.894 } :: atom: 768 65K-HG3 G 1.182 ambi=2 { CG:23.53 } atom: 780 66K-H N 8.38 ambi=1 { N:119.894 } ::sumAvg: 4.56 atom: 769 65K-QD D 1.583 ambi=2 { CD:29.049 } atom: 780 66K-H N 8.38 ambi=1 { N:119.894 } ::sumAvg: 4.04 atom: 786 66K-HD2 D 1.758 ambi=2 { CD:29.645 } atom: 780 66K-H N 8.38 ambi=1 { N:119.894 } :: atom: 787 66K-HD3 D 1.672 ambi=2 { CD:29.645 } atom: 780 66K-H N 8.38 ambi=1 { N:119.894 } ::sumAvg: 4.48 atom: 786 66K-HD2 D 1.758 ambi=2 { CD:29.645 } atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } :: atom: 787 66K-HD3 D 1.672 ambi=2 { CD:29.645 } atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } ::sumAvg: 4.345 atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } atom: 788 66K-QE E 3.064 ambi=2 { CE:42.108 } ::sumAvg: 4.64 atom: 788 66K-QE E 3.064 ambi=2 { CE:42.108 } atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } ::sumAvg: 4.64 atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } atom: 798 67G-HA2 A 4.482 ambi=2 { CA:44.756 } ::sumAvg: 4.475 atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } :: atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } ::sumAvg: 4.915 atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } :: atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } atom: 781 66K-HA A 3.751 ambi=1 { CA:58.171 } ::sumAvg: 4.915 atom: 782 66K-HB2 B 1.716 ambi=2 { CB:32.373 } atom: 797 67G-H N 9.371 ambi=1 { N:116.379 } :: atom: 783 66K-HB3 B 1.655 ambi=2 { CB:32.373 } atom: 797 67G-H N 9.371 ambi=1 { N:116.379 } ::sumAvg: 3.47 atom: 798 67G-HA2 A 4.482 ambi=2 { CA:44.756 } atom: 782 66K-HB2 B 1.716 ambi=2 { CB:32.373 } :: atom: 799 67G-HA3 A 3.71 ambi=2 { CA:44.756 } atom: 782 66K-HB2 B 1.716 ambi=2 { CB:32.373 } :: atom: 798 67G-HA2 A 4.482 ambi=2 { CA:44.756 } atom: 783 66K-HB3 B 1.655 ambi=2 { CB:32.373 } :: atom: 799 67G-HA3 A 3.71 ambi=2 { CA:44.756 } atom: 783 66K-HB3 B 1.655 ambi=2 { CB:32.373 } ::sumAvg: 4.495 atom: 798 67G-HA2 A 4.482 ambi=2 { CA:44.756 } atom: 784 66K-HG2 G 1.442 ambi=2 { CG:24.59 } :: atom: 799 67G-HA3 A 3.71 ambi=2 { CA:44.756 } atom: 784 66K-HG2 G 1.442 ambi=2 { CG:24.59 } :: atom: 798 67G-HA2 A 4.482 ambi=2 { CA:44.756 } atom: 785 66K-HG3 G 1.263 ambi=2 { CG:24.59 } :: atom: 799 67G-HA3 A 3.71 ambi=2 { CA:44.756 } atom: 785 66K-HG3 G 1.263 ambi=2 { CG:24.59 } ::sumAvg: 4.955 atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } atom: 797 67G-H N 9.371 ambi=1 { N:116.379 } :: atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } atom: 797 67G-H N 9.371 ambi=1 { N:116.379 } ::sumAvg: 4.82 atom: 798 67G-HA2 A 4.482 ambi=2 { CA:44.756 } atom: 803 68D-H N 8.119 ambi=1 { N:121.994 } :: atom: 799 67G-HA3 A 3.71 ambi=2 { CA:44.756 } atom: 803 68D-H N 8.119 ambi=1 { N:121.994 } ::sumAvg: 3.075 atom: 799 67G-HA3 A 3.71 ambi=2 { CA:44.756 } atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } ::sumAvg: 4.45 atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } atom: 799 67G-HA3 A 3.71 ambi=2 { CA:44.756 } ::sumAvg: 4.45 atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } atom: 803 68D-H N 8.119 ambi=1 { N:121.994 } ::sumAvg: 2.88 atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } :: atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } ::sumAvg: 2.515 atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } atom: 811 69I-H N 8.835 ambi=1 { N:120.662 } ::sumAvg: 2.355 atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } atom: 813 69I-HB B 1.962 ambi=1 { CB:36.81 } ::sumAvg: 4.73 atom: 813 69I-HB B 1.962 ambi=1 { CB:36.81 } atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } ::sumAvg: 4.73 atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } atom: 814 69I-HG12 G1 1.476 ambi=2 { CG1:27.03 } :: atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } atom: 815 69I-HG13 G1 1.375 ambi=2 { CG1:27.03 } ::sumAvg: 3.63 atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } atom: 817 69I-HD1 D1 0.746 ambi=1 { CD1:10.646 } ::sumAvg: 4.46 atom: 817 69I-HD1 D1 0.746 ambi=1 { CD1:10.646 } atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } ::sumAvg: 4.46 atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } atom: 1066 92I-HG2 G2 0.916 ambi=1 { CG2:17.806 } ::sumAvg: 4.28 atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } atom: 1091 94E-HB2 B 1.988 ambi=2 { CB:31.725 } :: atom: 804 68D-HA A 4.625 ambi=1 { CA:55.655 } atom: 1092 94E-HB3 B 1.911 ambi=2 { CB:31.725 } ::sumAvg: 4.175 atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } :: atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } ::sumAvg: 4.61 atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } :: atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } ::sumAvg: 4.61 atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } :: atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } ::sumAvg: 4.205 atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } atom: 1064 92I-HG12 G1 1.695 ambi=2 { CG1:27.365 } :: atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } atom: 1065 92I-HG13 G1 1.652 ambi=2 { CG1:27.365 } :: atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } atom: 1064 92I-HG12 G1 1.695 ambi=2 { CG1:27.365 } :: atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } atom: 1065 92I-HG13 G1 1.652 ambi=2 { CG1:27.365 } ::sumAvg: 4.325 atom: 1064 92I-HG12 G1 1.695 ambi=2 { CG1:27.365 } atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } :: atom: 1065 92I-HG13 G1 1.652 ambi=2 { CG1:27.365 } atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } :: atom: 1064 92I-HG12 G1 1.695 ambi=2 { CG1:27.365 } atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } :: atom: 1065 92I-HG13 G1 1.652 ambi=2 { CG1:27.365 } atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } ::sumAvg: 4.325 atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } atom: 1091 94E-HB2 B 1.988 ambi=2 { CB:31.725 } :: atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } atom: 1092 94E-HB3 B 1.911 ambi=2 { CB:31.725 } :: atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } atom: 1091 94E-HB2 B 1.988 ambi=2 { CB:31.725 } :: atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } atom: 1092 94E-HB3 B 1.911 ambi=2 { CB:31.725 } ::sumAvg: 4.595 atom: 1091 94E-HB2 B 1.988 ambi=2 { CB:31.725 } atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } :: atom: 1092 94E-HB3 B 1.911 ambi=2 { CB:31.725 } atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } :: atom: 1091 94E-HB2 B 1.988 ambi=2 { CB:31.725 } atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } :: atom: 1092 94E-HB3 B 1.911 ambi=2 { CB:31.725 } atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } ::sumAvg: 4.595 atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } atom: 1101 95K-HA A 4.344 ambi=1 { CA:56.276 } :: atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } atom: 1101 95K-HA A 4.344 ambi=1 { CA:56.276 } ::sumAvg: 4.865 atom: 1101 95K-HA A 4.344 ambi=1 { CA:56.276 } atom: 805 68D-HB2 B 2.859 ambi=2 { CB:41.495 } :: atom: 1101 95K-HA A 4.344 ambi=1 { CA:56.276 } atom: 806 68D-HB3 B 2.535 ambi=2 { CB:41.495 } ::sumAvg: 4.865 atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 811 69I-H N 8.835 ambi=1 { N:120.662 } ::sumAvg: 2.91 atom: 1067 92I-HD1 D1 0.957 ambi=1 { CD1:10.753 } atom: 811 69I-H N 8.835 ambi=1 { N:120.662 } ::sumAvg: 4.97 atom: 1077 93I-HB B 1.69 ambi=1 { CB:38.474 } atom: 811 69I-H N 8.835 ambi=1 { N:120.662 } ::sumAvg: 4.69 atom: 1093 94E-QG G 2.2355 ambi=2 { CG:36.222 } atom: 811 69I-H N 8.835 ambi=1 { N:120.662 } ::sumAvg: 3.945 atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 813 69I-HB B 1.962 ambi=1 { CB:36.81 } ::sumAvg: 3.035 atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 814 69I-HG12 G1 1.476 ambi=2 { CG1:27.03 } :: atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 815 69I-HG13 G1 1.375 ambi=2 { CG1:27.03 } ::sumAvg: 2.82 atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 816 69I-HG2 G2 0.771 ambi=1 { CG2:17.237 } ::sumAvg: 2.39 atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 817 69I-HD1 D1 0.746 ambi=1 { CD1:10.646 } ::sumAvg: 2.9 atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } ::sumAvg: 2.175 atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } ::sumAvg: 4.415 atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } ::sumAvg: 4.415 atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } ::sumAvg: 3.99 atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } ::sumAvg: 3.99 atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 1066 92I-HG2 G2 0.916 ambi=1 { CG2:17.806 } ::sumAvg: 4.88 atom: 1066 92I-HG2 G2 0.916 ambi=1 { CG2:17.806 } atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } ::sumAvg: 4.88 atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 1077 93I-HB B 1.69 ambi=1 { CB:38.474 } ::sumAvg: 4.725 atom: 1077 93I-HB B 1.69 ambi=1 { CB:38.474 } atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } ::sumAvg: 4.725 atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 1081 93I-HD1 D1 0.73 ambi=1 { CD1:12.223 } ::sumAvg: 4.825 atom: 1081 93I-HD1 D1 0.73 ambi=1 { CD1:12.223 } atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } ::sumAvg: 4.825 atom: 812 69I-HA A 4.687 ambi=1 { CA:59.65 } atom: 1089 94E-H N 8.137 ambi=1 { N:122.628 } ::sumAvg: 4.885 atom: 813 69I-HB B 1.962 ambi=1 { CB:36.81 } atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } ::sumAvg: 4.325 atom: 813 69I-HB B 1.962 ambi=1 { CB:36.81 } atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } ::sumAvg: 4.945 atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } atom: 813 69I-HB B 1.962 ambi=1 { CB:36.81 } ::sumAvg: 4.945 atom: 813 69I-HB B 1.962 ambi=1 { CB:36.81 } atom: 1066 92I-HG2 G2 0.916 ambi=1 { CG2:17.806 } ::sumAvg: 4.145 atom: 813 69I-HB B 1.962 ambi=1 { CB:36.81 } atom: 1075 93I-H N 9.047 ambi=1 { N:129.183 } ::sumAvg: 3.81 atom: 813 69I-HB B 1.962 ambi=1 { CB:36.81 } atom: 1080 93I-HG2 G2 0.869 ambi=1 { CG2:17.384 } ::sumAvg: 3.425 atom: 813 69I-HB B 1.962 ambi=1 { CB:36.81 } atom: 1090 94E-HA A 4.422 ambi=1 { CA:56.065 } ::sumAvg: 4.565 atom: 814 69I-HG12 G1 1.476 ambi=2 { CG1:27.03 } atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } :: atom: 815 69I-HG13 G1 1.375 ambi=2 { CG1:27.03 } atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } ::sumAvg: 4.745 atom: 814 69I-HG12 G1 1.476 ambi=2 { CG1:27.03 } atom: 1089 94E-H N 8.137 ambi=1 { N:122.628 } :: atom: 815 69I-HG13 G1 1.375 ambi=2 { CG1:27.03 } atom: 1089 94E-H N 8.137 ambi=1 { N:122.628 } ::sumAvg: 4.27 atom: 814 69I-HG12 G1 1.476 ambi=2 { CG1:27.03 } atom: 1093 94E-QG G 2.2355 ambi=2 { CG:36.222 } :: atom: 815 69I-HG13 G1 1.375 ambi=2 { CG1:27.03 } atom: 1093 94E-QG G 2.2355 ambi=2 { CG:36.222 } ::sumAvg: 3.46 atom: 1093 94E-QG G 2.2355 ambi=2 { CG:36.222 } atom: 814 69I-HG12 G1 1.476 ambi=2 { CG1:27.03 } :: atom: 1093 94E-QG G 2.2355 ambi=2 { CG:36.222 } atom: 815 69I-HG13 G1 1.375 ambi=2 { CG1:27.03 } ::sumAvg: 3.46 atom: 816 69I-HG2 G2 0.771 ambi=1 { CG2:17.237 } atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } ::sumAvg: 3.84 atom: 833 71E-HA A 5.076 ambi=1 { CA:55.278 } atom: 816 69I-HG2 G2 0.771 ambi=1 { CG2:17.237 } ::sumAvg: 4.875 atom: 816 69I-HG2 G2 0.771 ambi=1 { CG2:17.237 } atom: 1076 93I-HA A 4.181 ambi=1 { CA:61.196 } ::sumAvg: 4.89 atom: 816 69I-HG2 G2 0.771 ambi=1 { CG2:17.237 } atom: 1089 94E-H N 8.137 ambi=1 { N:122.628 } ::sumAvg: 3.635 atom: 816 69I-HG2 G2 0.771 ambi=1 { CG2:17.237 } atom: 1093 94E-QG G 2.2355 ambi=2 { CG:36.222 } ::sumAvg: 4.33 atom: 817 69I-HD1 D1 0.746 ambi=1 { CD1:10.646 } atom: 1077 93I-HB B 1.69 ambi=1 { CB:38.474 } ::sumAvg: 4.33 atom: 817 69I-HD1 D1 0.746 ambi=1 { CD1:10.646 } atom: 1089 94E-H N 8.137 ambi=1 { N:122.628 } ::sumAvg: 4.4 atom: 817 69I-HD1 D1 0.746 ambi=1 { CD1:10.646 } atom: 1093 94E-QG G 2.2355 ambi=2 { CG:36.222 } ::sumAvg: 3.805 atom: 1066 92I-HG2 G2 0.916 ambi=1 { CG2:17.806 } atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } ::sumAvg: 4.925 atom: 1077 93I-HB B 1.69 ambi=1 { CB:38.474 } atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } ::sumAvg: 4.92 atom: 1081 93I-HD1 D1 0.73 ambi=1 { CD1:12.223 } atom: 825 70A-H N 9.433 ambi=1 { N:129.32 } ::sumAvg: 4.335 atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } atom: 834 71E-HB2 B 1.935 ambi=2 { CB:31.13 } :: atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } atom: 835 71E-HB3 B 1.806 ambi=2 { CB:31.13 } ::sumAvg: 4.555 atom: 834 71E-HB2 B 1.935 ambi=2 { CB:31.13 } atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } :: atom: 835 71E-HB3 B 1.806 ambi=2 { CB:31.13 } atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } ::sumAvg: 4.555 atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } :: atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } ::sumAvg: 4.415 atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } atom: 1055 91G-H N 8.357 ambi=1 { N:112.28 } ::sumAvg: 4.845 atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } ::sumAvg: 2.43 atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } atom: 1064 92I-HG12 G1 1.695 ambi=2 { CG1:27.365 } :: atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } atom: 1065 92I-HG13 G1 1.652 ambi=2 { CG1:27.365 } ::sumAvg: 4.185 atom: 1064 92I-HG12 G1 1.695 ambi=2 { CG1:27.365 } atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } :: atom: 1065 92I-HG13 G1 1.652 ambi=2 { CG1:27.365 } atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } ::sumAvg: 4.185 atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } atom: 1077 93I-HB B 1.69 ambi=1 { CB:38.474 } ::sumAvg: 4.465 atom: 1077 93I-HB B 1.69 ambi=1 { CB:38.474 } atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } ::sumAvg: 4.465 atom: 826 70A-HA A 5.368 ambi=1 { CA:50.109 } atom: 1089 94E-H N 8.137 ambi=1 { N:122.628 } ::sumAvg: 4.84 atom: 833 71E-HA A 5.076 ambi=1 { CA:55.278 } atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } ::sumAvg: 4.085 atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } ::sumAvg: 4.87 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 827 70A-HB B 1.076 ambi=1 { CB:22.381 } ::sumAvg: 4.87 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 832 71E-H N 8.997 ambi=1 { N:122.821 } ::sumAvg: 4.985 atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } atom: 832 71E-H N 8.997 ambi=1 { N:122.821 } ::sumAvg: 3.175 atom: 1077 93I-HB B 1.69 ambi=1 { CB:38.474 } atom: 832 71E-H N 8.997 ambi=1 { N:122.821 } ::sumAvg: 4.88 atom: 845 72V-HB B 1.91 ambi=1 { CB:34.7 } atom: 833 71E-HA A 5.076 ambi=1 { CA:55.278 } ::sumAvg: 4.555 atom: 833 71E-HA A 5.076 ambi=1 { CA:55.278 } atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } :: atom: 833 71E-HA A 5.076 ambi=1 { CA:55.278 } atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } ::sumAvg: 3.565 atom: 833 71E-HA A 5.076 ambi=1 { CA:55.278 } atom: 1055 91G-H N 8.357 ambi=1 { N:112.28 } ::sumAvg: 4.95 atom: 833 71E-HA A 5.076 ambi=1 { CA:55.278 } atom: 1078 93I-HG12 G1 1.394 ambi=2 { CG1:27.237 } :: atom: 833 71E-HA A 5.076 ambi=1 { CA:55.278 } atom: 1079 93I-HG13 G1 1.095 ambi=2 { CG1:27.237 } ::sumAvg: 4.26 atom: 1078 93I-HG12 G1 1.394 ambi=2 { CG1:27.237 } atom: 833 71E-HA A 5.076 ambi=1 { CA:55.278 } :: atom: 1079 93I-HG13 G1 1.095 ambi=2 { CG1:27.237 } atom: 833 71E-HA A 5.076 ambi=1 { CA:55.278 } ::sumAvg: 4.26 atom: 833 71E-HA A 5.076 ambi=1 { CA:55.278 } atom: 1081 93I-HD1 D1 0.73 ambi=1 { CD1:12.223 } ::sumAvg: 3.275 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 834 71E-HB2 B 1.935 ambi=2 { CB:31.13 } :: atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 835 71E-HB3 B 1.806 ambi=2 { CB:31.13 } ::sumAvg: 4.9 atom: 834 71E-HB2 B 1.935 ambi=2 { CB:31.13 } atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } :: atom: 835 71E-HB3 B 1.806 ambi=2 { CB:31.13 } atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } ::sumAvg: 4.835 atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } atom: 834 71E-HB2 B 1.935 ambi=2 { CB:31.13 } :: atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } atom: 835 71E-HB3 B 1.806 ambi=2 { CB:31.13 } ::sumAvg: 4.835 atom: 834 71E-HB2 B 1.935 ambi=2 { CB:31.13 } atom: 1055 91G-H N 8.357 ambi=1 { N:112.28 } :: atom: 835 71E-HB3 B 1.806 ambi=2 { CB:31.13 } atom: 1055 91G-H N 8.357 ambi=1 { N:112.28 } ::sumAvg: 3.415 atom: 834 71E-HB2 B 1.935 ambi=2 { CB:31.13 } atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } :: atom: 834 71E-HB2 B 1.935 ambi=2 { CB:31.13 } atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } :: atom: 835 71E-HB3 B 1.806 ambi=2 { CB:31.13 } atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } :: atom: 835 71E-HB3 B 1.806 ambi=2 { CB:31.13 } atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } ::sumAvg: 4.14 atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } atom: 834 71E-HB2 B 1.935 ambi=2 { CB:31.13 } :: atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } atom: 834 71E-HB2 B 1.935 ambi=2 { CB:31.13 } :: atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } atom: 835 71E-HB3 B 1.806 ambi=2 { CB:31.13 } :: atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } atom: 835 71E-HB3 B 1.806 ambi=2 { CB:31.13 } ::sumAvg: 4.14 atom: 834 71E-HB2 B 1.935 ambi=2 { CB:31.13 } atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } :: atom: 835 71E-HB3 B 1.806 ambi=2 { CB:31.13 } atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } ::sumAvg: 4.9 atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } atom: 834 71E-HB2 B 1.935 ambi=2 { CB:31.13 } :: atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } atom: 835 71E-HB3 B 1.806 ambi=2 { CB:31.13 } ::sumAvg: 4.9 atom: 836 71E-HG2 G 2.043 ambi=2 { CG:37.021 } atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } :: atom: 837 71E-HG3 G 1.902 ambi=2 { CG:37.021 } atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } ::sumAvg: 4.205 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 836 71E-HG2 G 2.043 ambi=2 { CG:37.021 } :: atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 837 71E-HG3 G 1.902 ambi=2 { CG:37.021 } ::sumAvg: 4.205 atom: 836 71E-HG2 G 2.043 ambi=2 { CG:37.021 } atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } :: atom: 837 71E-HG3 G 1.902 ambi=2 { CG:37.021 } atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } ::sumAvg: 4.715 atom: 836 71E-HG2 G 2.043 ambi=2 { CG:37.021 } atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } :: atom: 836 71E-HG2 G 2.043 ambi=2 { CG:37.021 } atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } :: atom: 837 71E-HG3 G 1.902 ambi=2 { CG:37.021 } atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } :: atom: 837 71E-HG3 G 1.902 ambi=2 { CG:37.021 } atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } ::sumAvg: 4.795 atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } atom: 836 71E-HG2 G 2.043 ambi=2 { CG:37.021 } :: atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } atom: 836 71E-HG2 G 2.043 ambi=2 { CG:37.021 } :: atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } atom: 837 71E-HG3 G 1.902 ambi=2 { CG:37.021 } :: atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } atom: 837 71E-HG3 G 1.902 ambi=2 { CG:37.021 } ::sumAvg: 4.795 atom: 836 71E-HG2 G 2.043 ambi=2 { CG:37.021 } atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } :: atom: 837 71E-HG3 G 1.902 ambi=2 { CG:37.021 } atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } ::sumAvg: 4.905 atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } atom: 836 71E-HG2 G 2.043 ambi=2 { CG:37.021 } :: atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } atom: 837 71E-HG3 G 1.902 ambi=2 { CG:37.021 } ::sumAvg: 4.905 atom: 836 71E-HG2 G 2.043 ambi=2 { CG:37.021 } atom: 1055 91G-H N 8.357 ambi=1 { N:112.28 } :: atom: 837 71E-HG3 G 1.902 ambi=2 { CG:37.021 } atom: 1055 91G-H N 8.357 ambi=1 { N:112.28 } ::sumAvg: 4.61 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 843 72V-H N 9.012 ambi=1 { N:127.424 } ::sumAvg: 2.955 atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } atom: 843 72V-H N 9.012 ambi=1 { N:127.424 } ::sumAvg: 4.925 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 845 72V-HB B 1.91 ambi=1 { CB:34.7 } ::sumAvg: 3.03 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } :: atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } ::sumAvg: 2.355 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } ::sumAvg: 2.15 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } ::sumAvg: 4.43 atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } ::sumAvg: 4.43 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } :: atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } ::sumAvg: 4.545 atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } :: atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } ::sumAvg: 4.545 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } :: atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } ::sumAvg: 3.665 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } ::sumAvg: 2.525 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } ::sumAvg: 3.51 atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } ::sumAvg: 3.51 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 1044 90I-HG12 G1 1.446 ambi=2 { CG1:28.55 } :: atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 1045 90I-HG13 G1 0.569 ambi=2 { CG1:28.55 } ::sumAvg: 2.975 atom: 1044 90I-HG12 G1 1.446 ambi=2 { CG1:28.55 } atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } :: atom: 1045 90I-HG13 G1 0.569 ambi=2 { CG1:28.55 } atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } ::sumAvg: 2.975 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } ::sumAvg: 4.81 atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } ::sumAvg: 4.81 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } ::sumAvg: 3.86 atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } ::sumAvg: 3.86 atom: 844 72V-HA A 4.681 ambi=1 { CA:61.146 } atom: 1055 91G-H N 8.357 ambi=1 { N:112.28 } ::sumAvg: 3.66 atom: 845 72V-HB B 1.91 ambi=1 { CB:34.7 } atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } ::sumAvg: 4.27 atom: 845 72V-HB B 1.91 ambi=1 { CB:34.7 } atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } ::sumAvg: 4.925 atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } atom: 845 72V-HB B 1.91 ambi=1 { CB:34.7 } ::sumAvg: 4.925 atom: 845 72V-HB B 1.91 ambi=1 { CB:34.7 } atom: 993 85I-HG2 G2 0.723 ambi=1 { CG2:15.639 } ::sumAvg: 3.755 atom: 993 85I-HG2 G2 0.723 ambi=1 { CG2:15.639 } atom: 845 72V-HB B 1.91 ambi=1 { CB:34.7 } ::sumAvg: 3.755 atom: 994 85I-HD1 D1 0.563 ambi=1 { CD1:13.482 } atom: 845 72V-HB B 1.91 ambi=1 { CB:34.7 } ::sumAvg: 4.345 atom: 1044 90I-HG12 G1 1.446 ambi=2 { CG1:28.55 } atom: 845 72V-HB B 1.91 ambi=1 { CB:34.7 } :: atom: 1045 90I-HG13 G1 0.569 ambi=2 { CG1:28.55 } atom: 845 72V-HB B 1.91 ambi=1 { CB:34.7 } ::sumAvg: 4.845 atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } :: atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } ::sumAvg: 3.68 atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } :: atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } ::sumAvg: 3.68 atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } :: atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } :: atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } :: atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } ::sumAvg: 4.695 atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } atom: 862 74G-H N 8.809 ambi=1 { N:112.02 } :: atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } atom: 862 74G-H N 8.809 ambi=1 { N:112.02 } ::sumAvg: 4.125 atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } :: atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } :: atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } :: atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } ::sumAvg: 3.875 atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } :: atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } ::sumAvg: 3.875 atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } :: atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } ::sumAvg: 4.15 atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } atom: 1029 89N-H N 7.86 ambi=1 { N:116.698 } :: atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } atom: 1029 89N-H N 7.86 ambi=1 { N:116.698 } ::sumAvg: 4.33 atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } :: atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } ::sumAvg: 4.155 atom: 846 72V-HG1 G1 0.789 ambi=2 { CG1:23.099 } atom: 1055 91G-H N 8.357 ambi=1 { N:112.28 } :: atom: 847 72V-HG2 G2 0.773 ambi=2 { CG2:20.897 } atom: 1055 91G-H N 8.357 ambi=1 { N:112.28 } ::sumAvg: 3.82 atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } ::sumAvg: 4.845 atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } ::sumAvg: 4.945 atom: 1031 89N-HB2 B 2.647 ambi=2 { CB:42.212 } atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } :: atom: 1032 89N-HB3 B 2.595 ambi=2 { CB:42.212 } atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } ::sumAvg: 3.685 atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } ::sumAvg: 3.27 atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } ::sumAvg: 4.13 atom: 1044 90I-HG12 G1 1.446 ambi=2 { CG1:28.55 } atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } :: atom: 1045 90I-HG13 G1 0.569 ambi=2 { CG1:28.55 } atom: 854 73S-H N 8.887 ambi=1 { N:120.976 } ::sumAvg: 4.68 atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } :: atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } ::sumAvg: 4.37 atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } ::sumAvg: 4.37 atom: 855 73S-HA A 5.937 ambi=1 { CA:55.945 } atom: 1029 89N-H N 7.86 ambi=1 { N:116.698 } ::sumAvg: 4.895 atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } :: atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } :: atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } :: atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } ::sumAvg: 4.585 atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } :: atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } ::sumAvg: 4.585 atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } :: atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } :: atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } :: atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } ::sumAvg: 4.49 atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } :: atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } ::sumAvg: 4.425 atom: 1023 88D-QB B 2.656 ambi=2 { CB:43.02 } atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } :: atom: 1023 88D-QB B 2.656 ambi=2 { CB:43.02 } atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } ::sumAvg: 4.115 atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } :: atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } ::sumAvg: 4.725 atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } :: atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } ::sumAvg: 4.725 atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } atom: 1033 89N-HD21 D2 7.634 ambi=1 { ND2:113.449 } :: atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } atom: 1033 89N-HD21 D2 7.634 ambi=1 { ND2:113.449 } ::sumAvg: 4.15 atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } :: atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } ::sumAvg: 4.96 atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } atom: 856 73S-HB2 B 3.891 ambi=2 { CB:65.366 } :: atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } atom: 857 73S-HB3 B 3.692 ambi=2 { CB:65.366 } ::sumAvg: 4.96 atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } atom: 862 74G-H N 8.809 ambi=1 { N:112.02 } ::sumAvg: 4.83 atom: 993 85I-HG2 G2 0.723 ambi=1 { CG2:15.639 } atom: 862 74G-H N 8.809 ambi=1 { N:112.02 } ::sumAvg: 4.855 atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } atom: 862 74G-H N 8.809 ambi=1 { N:112.02 } ::sumAvg: 4.85 atom: 1023 88D-QB B 2.656 ambi=2 { CB:43.02 } atom: 862 74G-H N 8.809 ambi=1 { N:112.02 } ::sumAvg: 4.91 atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 868 75Y-H N 8.069 ambi=1 { N:119.656 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 868 75Y-H N 8.069 ambi=1 { N:119.656 } ::sumAvg: 2.305 atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } ::sumAvg: 4.375 atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } :: atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } ::sumAvg: 4.375 atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 870 75Y-HB2 B 3.062 ambi=2 { CB:41.534 } :: atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 871 75Y-HB3 B 2.931 ambi=2 { CB:41.534 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 870 75Y-HB2 B 3.062 ambi=2 { CB:41.534 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 871 75Y-HB3 B 2.931 ambi=2 { CB:41.534 } ::sumAvg: 4.465 atom: 870 75Y-HB2 B 3.062 ambi=2 { CB:41.534 } atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } :: atom: 871 75Y-HB3 B 2.931 ambi=2 { CB:41.534 } atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } :: atom: 870 75Y-HB2 B 3.062 ambi=2 { CB:41.534 } atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } :: atom: 871 75Y-HB3 B 2.931 ambi=2 { CB:41.534 } atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } ::sumAvg: 4.465 atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 872 75Y-QD D 7.009 ambi=3 { CD1:133.337 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 872 75Y-QD D 7.009 ambi=3 { CD1:133.337 } ::sumAvg: 4.615 atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 991 85I-HG12 G1 1.368 ambi=2 { CG1:28.708 } :: atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 992 85I-HG13 G1 0.567 ambi=2 { CG1:28.708 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 991 85I-HG12 G1 1.368 ambi=2 { CG1:28.708 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 992 85I-HG13 G1 0.567 ambi=2 { CG1:28.708 } ::sumAvg: 4.485 atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 993 85I-HG2 G2 0.723 ambi=1 { CG2:15.639 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 993 85I-HG2 G2 0.723 ambi=1 { CG2:15.639 } ::sumAvg: 3.7 atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 994 85I-HD1 D1 0.563 ambi=1 { CD1:13.482 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 994 85I-HD1 D1 0.563 ambi=1 { CD1:13.482 } ::sumAvg: 4.55 atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } ::sumAvg: 4.73 atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 1004 86S-HB2 B 4.172 ambi=2 { CB:62.971 } :: atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 1005 86S-HB3 B 3.913 ambi=2 { CB:62.971 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 1005 86S-HB3 B 3.913 ambi=2 { CB:62.971 } ::sumAvg: 4.87 atom: 1004 86S-HB2 B 4.172 ambi=2 { CB:62.971 } atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } :: atom: 1005 86S-HB3 B 3.913 ambi=2 { CB:62.971 } atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } :: atom: 1005 86S-HB3 B 3.913 ambi=2 { CB:62.971 } atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } ::sumAvg: 4.87 atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } ::sumAvg: 4.765 atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } :: atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } ::sumAvg: 3.95 atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } :: atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } :: atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } :: atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } ::sumAvg: 3.95 atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 1022 88D-HA A 4.95 ambi=1 { CA:55.067 } ::sumAvg: 4.87 atom: 1022 88D-HA A 4.95 ambi=1 { CA:55.067 } atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } ::sumAvg: 4.87 atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 1023 88D-QB B 2.656 ambi=2 { CB:43.02 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 1023 88D-QB B 2.656 ambi=2 { CB:43.02 } ::sumAvg: 2.985 atom: 863 74G-HA2 A 4.609 ambi=2 { CA:46.653 } atom: 1029 89N-H N 7.86 ambi=1 { N:116.698 } :: atom: 864 74G-HA3 A 4.337 ambi=2 { CA:46.653 } atom: 1029 89N-H N 7.86 ambi=1 { N:116.698 } ::sumAvg: 4.155 atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } atom: 868 75Y-H N 8.069 ambi=1 { N:119.656 } ::sumAvg: 2.94 atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } atom: 868 75Y-H N 8.069 ambi=1 { N:119.656 } ::sumAvg: 4.985 atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 868 75Y-H N 8.069 ambi=1 { N:119.656 } ::sumAvg: 4.52 atom: 991 85I-HG12 G1 1.368 ambi=2 { CG1:28.708 } atom: 868 75Y-H N 8.069 ambi=1 { N:119.656 } :: atom: 992 85I-HG13 G1 0.567 ambi=2 { CG1:28.708 } atom: 868 75Y-H N 8.069 ambi=1 { N:119.656 } ::sumAvg: 4.64 atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } atom: 868 75Y-H N 8.069 ambi=1 { N:119.656 } ::sumAvg: 4.725 atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } atom: 868 75Y-H N 8.069 ambi=1 { N:119.656 } ::sumAvg: 3.89 atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } atom: 874 75Y-QE E 6.762 ambi=3 { CE1:118.018 } ::sumAvg: 4.59 atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } ::sumAvg: 4.44 atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } ::sumAvg: 4.44 atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } ::sumAvg: 4.63 atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } ::sumAvg: 4.63 atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } :: atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } ::sumAvg: 3.715 atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } ::sumAvg: 4.85 atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } atom: 1004 86S-HB2 B 4.172 ambi=2 { CB:62.971 } :: atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } atom: 1005 86S-HB3 B 3.913 ambi=2 { CB:62.971 } ::sumAvg: 4.995 atom: 1004 86S-HB2 B 4.172 ambi=2 { CB:62.971 } atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } :: atom: 1005 86S-HB3 B 3.913 ambi=2 { CB:62.971 } atom: 869 75Y-HA A 5.088 ambi=1 { CA:56.788 } ::sumAvg: 4.995 atom: 870 75Y-HB2 B 3.062 ambi=2 { CB:41.534 } atom: 874 75Y-QE E 6.762 ambi=3 { CE1:118.018 } :: atom: 871 75Y-HB3 B 2.931 ambi=2 { CB:41.534 } atom: 874 75Y-QE E 6.762 ambi=3 { CE1:118.018 } ::sumAvg: 4.425 atom: 870 75Y-HB2 B 3.062 ambi=2 { CB:41.534 } atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } :: atom: 871 75Y-HB3 B 2.931 ambi=2 { CB:41.534 } atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } ::sumAvg: 4.845 atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } atom: 870 75Y-HB2 B 3.062 ambi=2 { CB:41.534 } :: atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } atom: 871 75Y-HB3 B 2.931 ambi=2 { CB:41.534 } ::sumAvg: 4.845 atom: 870 75Y-HB2 B 3.062 ambi=2 { CB:41.534 } atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } :: atom: 871 75Y-HB3 B 2.931 ambi=2 { CB:41.534 } atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } ::sumAvg: 3.695 atom: 1004 86S-HB2 B 4.172 ambi=2 { CB:62.971 } atom: 872 75Y-QD D 7.009 ambi=3 { CD1:133.337 } :: atom: 1005 86S-HB3 B 3.913 ambi=2 { CB:62.971 } atom: 872 75Y-QD D 7.009 ambi=3 { CD1:133.337 } ::sumAvg: 3.46 atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } ::sumAvg: 4.56 atom: 991 85I-HG12 G1 1.368 ambi=2 { CG1:28.708 } atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } :: atom: 992 85I-HG13 G1 0.567 ambi=2 { CG1:28.708 } atom: 884 76V-H N 8.558 ambi=1 { N:128.209 } ::sumAvg: 4.495 atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } atom: 897 77K-HB2 B 1.851 ambi=2 { CB:36.13 } :: atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } atom: 898 77K-HB3 B 1.777 ambi=2 { CB:36.13 } ::sumAvg: 4.49 atom: 897 77K-HB2 B 1.851 ambi=2 { CB:36.13 } atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } :: atom: 898 77K-HB3 B 1.777 ambi=2 { CB:36.13 } atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } ::sumAvg: 4.49 atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } :: atom: 969 83L-HD2 D2 0.611 ambi=2 { CD2:22.938 } atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } ::sumAvg: 4.955 atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } atom: 977 84E-H N 8.803 ambi=1 { N:118.732 } ::sumAvg: 4.555 atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } atom: 988 85I-H N 9.042 ambi=1 { N:120.723 } ::sumAvg: 4.675 atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } atom: 990 85I-HB B 1.396 ambi=1 { CB:41.988 } ::sumAvg: 4.135 atom: 993 85I-HG2 G2 0.723 ambi=1 { CG2:15.639 } atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } ::sumAvg: 3.79 atom: 994 85I-HD1 D1 0.563 ambi=1 { CD1:13.482 } atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } ::sumAvg: 4.465 atom: 885 76V-HA A 4.535 ambi=1 { CA:62.06 } atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } ::sumAvg: 3.36 atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } ::sumAvg: 4.44 atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } ::sumAvg: 4.44 atom: 991 85I-HG12 G1 1.368 ambi=2 { CG1:28.708 } atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } :: atom: 992 85I-HG13 G1 0.567 ambi=2 { CG1:28.708 } atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } ::sumAvg: 3.495 atom: 993 85I-HG2 G2 0.723 ambi=1 { CG2:15.639 } atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } ::sumAvg: 4.645 atom: 994 85I-HD1 D1 0.563 ambi=1 { CD1:13.482 } atom: 886 76V-HB B 2.185 ambi=1 { CB:31.587 } ::sumAvg: 4.565 atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } :: atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } ::sumAvg: 3.36 atom: 897 77K-HB2 B 1.851 ambi=2 { CB:36.13 } atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } :: atom: 898 77K-HB3 B 1.777 ambi=2 { CB:36.13 } atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } :: atom: 897 77K-HB2 B 1.851 ambi=2 { CB:36.13 } atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } :: atom: 898 77K-HB3 B 1.777 ambi=2 { CB:36.13 } atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } ::sumAvg: 4.575 atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } :: atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } ::sumAvg: 4.63 atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } atom: 914 78Q-HB2 B 2.074 ambi=2 { CB:29.19 } :: atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } atom: 915 78Q-HB3 B 1.854 ambi=2 { CB:29.19 } :: atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } atom: 914 78Q-HB2 B 2.074 ambi=2 { CB:29.19 } :: atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } atom: 915 78Q-HB3 B 1.854 ambi=2 { CB:29.19 } ::sumAvg: 4.965 atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } :: atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } ::sumAvg: 3.74 atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } atom: 967 83L-HG G 1.688 ambi=1 { CG:26.613 } :: atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } atom: 967 83L-HG G 1.688 ambi=1 { CG:26.613 } ::sumAvg: 3.66 atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } :: atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } ::sumAvg: 4.55 atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } :: atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } ::sumAvg: 2.955 atom: 887 76V-HG1 G1 0.58 ambi=2 { CG1:23.686 } atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } :: atom: 888 76V-HG2 G2 0.759 ambi=2 { CG2:22.959 } atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } ::sumAvg: 4.41 atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } ::sumAvg: 2.895 atom: 901 77K-QD D 1.742 ambi=2 { CD:29.269 } atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } ::sumAvg: 4.625 atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } ::sumAvg: 4.905 atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } ::sumAvg: 4.765 atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } ::sumAvg: 4.87 atom: 981 84E-HG2 G 2.041 ambi=2 { CG:36.038 } atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } :: atom: 982 84E-HG3 G 1.983 ambi=2 { CG:36.038 } atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } ::sumAvg: 4.75 atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } ::sumAvg: 3.395 atom: 991 85I-HG12 G1 1.368 ambi=2 { CG1:28.708 } atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } :: atom: 992 85I-HG13 G1 0.567 ambi=2 { CG1:28.708 } atom: 895 77K-H N 9.098 ambi=1 { N:125.377 } ::sumAvg: 4.435 atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 897 77K-HB2 B 1.851 ambi=2 { CB:36.13 } :: atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 898 77K-HB3 B 1.777 ambi=2 { CB:36.13 } ::sumAvg: 2.43 atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 899 77K-HG2 G 1.511 ambi=2 { CG:24.243 } :: atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 900 77K-HG3 G 1.342 ambi=2 { CG:24.243 } ::sumAvg: 3.11 atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 901 77K-QD D 1.742 ambi=2 { CD:29.269 } ::sumAvg: 4.09 atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 903 77K-QE E 2.975 ambi=2 { CE:42.172 } ::sumAvg: 4.995 atom: 903 77K-QE E 2.975 ambi=2 { CE:42.172 } atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } ::sumAvg: 4.995 atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 912 78Q-H N 8.833 ambi=1 { N:120.665 } ::sumAvg: 2.29 atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } ::sumAvg: 4.385 atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } ::sumAvg: 4.385 atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 914 78Q-HB2 B 2.074 ambi=2 { CB:29.19 } :: atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 915 78Q-HB3 B 1.854 ambi=2 { CB:29.19 } ::sumAvg: 4.545 atom: 914 78Q-HB2 B 2.074 ambi=2 { CB:29.19 } atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } :: atom: 915 78Q-HB3 B 1.854 ambi=2 { CB:29.19 } atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } ::sumAvg: 4.545 atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 916 78Q-HG2 G 2.335 ambi=2 { CG:33.511 } :: atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 917 78Q-HG3 G 2.24 ambi=2 { CG:33.511 } ::sumAvg: 4.95 atom: 916 78Q-HG2 G 2.335 ambi=2 { CG:33.511 } atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } :: atom: 917 78Q-HG3 G 2.24 ambi=2 { CG:33.511 } atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } ::sumAvg: 4.95 atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } :: atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 969 83L-HD2 D2 0.611 ambi=2 { CD2:22.938 } ::sumAvg: 3.985 atom: 896 77K-HA A 4.732 ambi=1 { CA:53.979 } atom: 977 84E-H N 8.803 ambi=1 { N:118.732 } ::sumAvg: 4.82 atom: 897 77K-HB2 B 1.851 ambi=2 { CB:36.13 } atom: 903 77K-QE E 2.975 ambi=2 { CE:42.172 } :: atom: 898 77K-HB3 B 1.777 ambi=2 { CB:36.13 } atom: 903 77K-QE E 2.975 ambi=2 { CE:42.172 } ::sumAvg: 3.79 atom: 897 77K-HB2 B 1.851 ambi=2 { CB:36.13 } atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } :: atom: 898 77K-HB3 B 1.777 ambi=2 { CB:36.13 } atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } ::sumAvg: 4.805 atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 912 78Q-H N 8.833 ambi=1 { N:120.665 } ::sumAvg: 4.77 atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } atom: 918 78Q-HE21 E2 7.559 ambi=1 { NE2:111.825 } ::sumAvg: 4.485 atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } atom: 929 79G-HA3 A 3.862 ambi=2 { CA:44.045 } ::sumAvg: 4.395 atom: 929 79G-HA3 A 3.862 ambi=2 { CA:44.045 } atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } ::sumAvg: 4.395 atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } atom: 963 83L-H N 8.687 ambi=1 { N:121.184 } ::sumAvg: 4.79 atom: 965 83L-HB2 B 1.752 ambi=2 { CB:42.773 } atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } :: atom: 966 83L-HB3 B 1.146 ambi=2 { CB:42.773 } atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } ::sumAvg: 4.655 atom: 967 83L-HG G 1.688 ambi=1 { CG:26.613 } atom: 913 78Q-HA A 4.307 ambi=1 { CA:56.109 } ::sumAvg: 4.905 atom: 914 78Q-HB2 B 2.074 ambi=2 { CB:29.19 } atom: 918 78Q-HE21 E2 7.559 ambi=1 { NE2:111.825 } :: atom: 914 78Q-HB2 B 2.074 ambi=2 { CB:29.19 } atom: 919 78Q-HE22 E2 6.799 ambi=1 { NE2:111.825 } :: atom: 915 78Q-HB3 B 1.854 ambi=2 { CB:29.19 } atom: 918 78Q-HE21 E2 7.559 ambi=1 { NE2:111.825 } :: atom: 915 78Q-HB3 B 1.854 ambi=2 { CB:29.19 } atom: 919 78Q-HE22 E2 6.799 ambi=1 { NE2:111.825 } ::sumAvg: 4.35 atom: 914 78Q-HB2 B 2.074 ambi=2 { CB:29.19 } atom: 928 79G-HA2 A 4.526 ambi=2 { CA:44.045 } :: atom: 914 78Q-HB2 B 2.074 ambi=2 { CB:29.19 } atom: 929 79G-HA3 A 3.862 ambi=2 { CA:44.045 } :: atom: 915 78Q-HB3 B 1.854 ambi=2 { CB:29.19 } atom: 928 79G-HA2 A 4.526 ambi=2 { CA:44.045 } :: atom: 915 78Q-HB3 B 1.854 ambi=2 { CB:29.19 } atom: 929 79G-HA3 A 3.862 ambi=2 { CA:44.045 } ::sumAvg: 4.495 atom: 928 79G-HA2 A 4.526 ambi=2 { CA:44.045 } atom: 914 78Q-HB2 B 2.074 ambi=2 { CB:29.19 } :: atom: 929 79G-HA3 A 3.862 ambi=2 { CA:44.045 } atom: 914 78Q-HB2 B 2.074 ambi=2 { CB:29.19 } :: atom: 928 79G-HA2 A 4.526 ambi=2 { CA:44.045 } atom: 915 78Q-HB3 B 1.854 ambi=2 { CB:29.19 } :: atom: 929 79G-HA3 A 3.862 ambi=2 { CA:44.045 } atom: 915 78Q-HB3 B 1.854 ambi=2 { CB:29.19 } ::sumAvg: 4.495 atom: 914 78Q-HB2 B 2.074 ambi=2 { CB:29.19 } atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } :: atom: 915 78Q-HB3 B 1.854 ambi=2 { CB:29.19 } atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } ::sumAvg: 3.955 atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 914 78Q-HB2 B 2.074 ambi=2 { CB:29.19 } :: atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 915 78Q-HB3 B 1.854 ambi=2 { CB:29.19 } ::sumAvg: 3.955 atom: 916 78Q-HG2 G 2.335 ambi=2 { CG:33.511 } atom: 928 79G-HA2 A 4.526 ambi=2 { CA:44.045 } :: atom: 916 78Q-HG2 G 2.335 ambi=2 { CG:33.511 } atom: 929 79G-HA3 A 3.862 ambi=2 { CA:44.045 } :: atom: 917 78Q-HG3 G 2.24 ambi=2 { CG:33.511 } atom: 928 79G-HA2 A 4.526 ambi=2 { CA:44.045 } :: atom: 917 78Q-HG3 G 2.24 ambi=2 { CG:33.511 } atom: 929 79G-HA3 A 3.862 ambi=2 { CA:44.045 } ::sumAvg: 4.985 atom: 928 79G-HA2 A 4.526 ambi=2 { CA:44.045 } atom: 916 78Q-HG2 G 2.335 ambi=2 { CG:33.511 } :: atom: 929 79G-HA3 A 3.862 ambi=2 { CA:44.045 } atom: 916 78Q-HG2 G 2.335 ambi=2 { CG:33.511 } :: atom: 928 79G-HA2 A 4.526 ambi=2 { CA:44.045 } atom: 917 78Q-HG3 G 2.24 ambi=2 { CG:33.511 } :: atom: 929 79G-HA3 A 3.862 ambi=2 { CA:44.045 } atom: 917 78Q-HG3 G 2.24 ambi=2 { CG:33.511 } ::sumAvg: 4.985 atom: 916 78Q-HG2 G 2.335 ambi=2 { CG:33.511 } atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } :: atom: 917 78Q-HG3 G 2.24 ambi=2 { CG:33.511 } atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } ::sumAvg: 3.715 atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 916 78Q-HG2 G 2.335 ambi=2 { CG:33.511 } :: atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 917 78Q-HG3 G 2.24 ambi=2 { CG:33.511 } ::sumAvg: 3.715 atom: 916 78Q-HG2 G 2.335 ambi=2 { CG:33.511 } atom: 965 83L-HB2 B 1.752 ambi=2 { CB:42.773 } :: atom: 916 78Q-HG2 G 2.335 ambi=2 { CG:33.511 } atom: 966 83L-HB3 B 1.146 ambi=2 { CB:42.773 } :: atom: 917 78Q-HG3 G 2.24 ambi=2 { CG:33.511 } atom: 965 83L-HB2 B 1.752 ambi=2 { CB:42.773 } :: atom: 917 78Q-HG3 G 2.24 ambi=2 { CG:33.511 } atom: 966 83L-HB3 B 1.146 ambi=2 { CB:42.773 } ::sumAvg: 4.815 atom: 965 83L-HB2 B 1.752 ambi=2 { CB:42.773 } atom: 916 78Q-HG2 G 2.335 ambi=2 { CG:33.511 } :: atom: 966 83L-HB3 B 1.146 ambi=2 { CB:42.773 } atom: 916 78Q-HG2 G 2.335 ambi=2 { CG:33.511 } :: atom: 965 83L-HB2 B 1.752 ambi=2 { CB:42.773 } atom: 917 78Q-HG3 G 2.24 ambi=2 { CG:33.511 } :: atom: 966 83L-HB3 B 1.146 ambi=2 { CB:42.773 } atom: 917 78Q-HG3 G 2.24 ambi=2 { CG:33.511 } ::sumAvg: 4.815 atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } atom: 916 78Q-HG2 G 2.335 ambi=2 { CG:33.511 } :: atom: 969 83L-HD2 D2 0.611 ambi=2 { CD2:22.938 } atom: 916 78Q-HG2 G 2.335 ambi=2 { CG:33.511 } :: atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } atom: 917 78Q-HG3 G 2.24 ambi=2 { CG:33.511 } :: atom: 969 83L-HD2 D2 0.611 ambi=2 { CD2:22.938 } atom: 917 78Q-HG3 G 2.24 ambi=2 { CG:33.511 } ::sumAvg: 3.39 atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } atom: 918 78Q-HE21 E2 7.559 ambi=1 { NE2:111.825 } :: atom: 969 83L-HD2 D2 0.611 ambi=2 { CD2:22.938 } atom: 918 78Q-HE21 E2 7.559 ambi=1 { NE2:111.825 } ::sumAvg: 4.635 atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 927 79G-H N 8.136 ambi=1 { N:116.268 } ::sumAvg: 3.19 atom: 979 84E-HB2 B 1.903 ambi=2 { CB:33.894 } atom: 927 79G-H N 8.136 ambi=1 { N:116.268 } :: atom: 980 84E-HB3 B 1.741 ambi=2 { CB:33.894 } atom: 927 79G-H N 8.136 ambi=1 { N:116.268 } ::sumAvg: 4.585 atom: 929 79G-HA3 A 3.862 ambi=2 { CA:44.045 } atom: 934 80Y-HA A 4.31 ambi=1 { CA:60.703 } ::sumAvg: 4.355 atom: 934 80Y-HA A 4.31 ambi=1 { CA:60.703 } atom: 929 79G-HA3 A 3.862 ambi=2 { CA:44.045 } ::sumAvg: 4.355 atom: 928 79G-HA2 A 4.526 ambi=2 { CA:44.045 } atom: 935 80Y-HB2 B 3.071 ambi=2 { CB:38.14 } :: atom: 928 79G-HA2 A 4.526 ambi=2 { CA:44.045 } atom: 936 80Y-HB3 B 3.035 ambi=2 { CB:38.14 } :: atom: 929 79G-HA3 A 3.862 ambi=2 { CA:44.045 } atom: 935 80Y-HB2 B 3.071 ambi=2 { CB:38.14 } :: atom: 929 79G-HA3 A 3.862 ambi=2 { CA:44.045 } atom: 936 80Y-HB3 B 3.035 ambi=2 { CB:38.14 } ::sumAvg: 4.635 atom: 935 80Y-HB2 B 3.071 ambi=2 { CB:38.14 } atom: 928 79G-HA2 A 4.526 ambi=2 { CA:44.045 } :: atom: 936 80Y-HB3 B 3.035 ambi=2 { CB:38.14 } atom: 928 79G-HA2 A 4.526 ambi=2 { CA:44.045 } :: atom: 935 80Y-HB2 B 3.071 ambi=2 { CB:38.14 } atom: 929 79G-HA3 A 3.862 ambi=2 { CA:44.045 } :: atom: 936 80Y-HB3 B 3.035 ambi=2 { CB:38.14 } atom: 929 79G-HA3 A 3.862 ambi=2 { CA:44.045 } ::sumAvg: 4.635 atom: 928 79G-HA2 A 4.526 ambi=2 { CA:44.045 } atom: 937 80Y-QD D 7.164 ambi=3 { CD1:133.142 } :: atom: 929 79G-HA3 A 3.862 ambi=2 { CA:44.045 } atom: 937 80Y-QD D 7.164 ambi=3 { CD1:133.142 } ::sumAvg: 4.745 atom: 928 79G-HA2 A 4.526 ambi=2 { CA:44.045 } atom: 949 81S-H N 8.488 ambi=1 { N:112.931 } :: atom: 929 79G-HA3 A 3.862 ambi=2 { CA:44.045 } atom: 949 81S-H N 8.488 ambi=1 { N:112.931 } ::sumAvg: 4.9 atom: 934 80Y-HA A 4.31 ambi=1 { CA:60.703 } atom: 949 81S-H N 8.488 ambi=1 { N:112.931 } ::sumAvg: 2.835 atom: 934 80Y-HA A 4.31 ambi=1 { CA:60.703 } atom: 951 81S-QB B 3.771 ambi=2 { CB:63.68 } ::sumAvg: 4.94 atom: 934 80Y-HA A 4.31 ambi=1 { CA:60.703 } atom: 957 82G-H N 7.466 ambi=1 { N:109.262 } ::sumAvg: 4.665 atom: 935 80Y-HB2 B 3.071 ambi=2 { CB:38.14 } atom: 939 80Y-QE E 6.834 ambi=3 { CE1:118.288 } :: atom: 936 80Y-HB3 B 3.035 ambi=2 { CB:38.14 } atom: 939 80Y-QE E 6.834 ambi=3 { CE1:118.288 } ::sumAvg: 4.425 atom: 935 80Y-HB2 B 3.071 ambi=2 { CB:38.14 } atom: 949 81S-H N 8.488 ambi=1 { N:112.931 } :: atom: 936 80Y-HB3 B 3.035 ambi=2 { CB:38.14 } atom: 949 81S-H N 8.488 ambi=1 { N:112.931 } ::sumAvg: 3.09 atom: 935 80Y-HB2 B 3.071 ambi=2 { CB:38.14 } atom: 951 81S-QB B 3.771 ambi=2 { CB:63.68 } :: atom: 936 80Y-HB3 B 3.035 ambi=2 { CB:38.14 } atom: 951 81S-QB B 3.771 ambi=2 { CB:63.68 } ::sumAvg: 4.43 atom: 951 81S-QB B 3.771 ambi=2 { CB:63.68 } atom: 935 80Y-HB2 B 3.071 ambi=2 { CB:38.14 } :: atom: 951 81S-QB B 3.771 ambi=2 { CB:63.68 } atom: 936 80Y-HB3 B 3.035 ambi=2 { CB:38.14 } ::sumAvg: 4.43 atom: 950 81S-HA A 4.55 ambi=1 { CA:57.288 } atom: 937 80Y-QD D 7.164 ambi=3 { CD1:133.142 } ::sumAvg: 4.86 atom: 958 82G-HA2 A 4.416 ambi=2 { CA:44.078 } atom: 949 81S-H N 8.488 ambi=1 { N:112.931 } :: atom: 959 82G-HA3 A 3.843 ambi=2 { CA:44.078 } atom: 949 81S-H N 8.488 ambi=1 { N:112.931 } ::sumAvg: 4.835 atom: 950 81S-HA A 4.55 ambi=1 { CA:57.288 } atom: 957 82G-H N 7.466 ambi=1 { N:109.262 } ::sumAvg: 2.855 atom: 950 81S-HA A 4.55 ambi=1 { CA:57.288 } atom: 959 82G-HA3 A 3.843 ambi=2 { CA:44.078 } ::sumAvg: 4.55 atom: 951 81S-QB B 3.771 ambi=2 { CB:63.68 } atom: 957 82G-H N 7.466 ambi=1 { N:109.262 } ::sumAvg: 3.145 atom: 951 81S-QB B 3.771 ambi=2 { CB:63.68 } atom: 958 82G-HA2 A 4.416 ambi=2 { CA:44.078 } ::sumAvg: 4.325 atom: 958 82G-HA2 A 4.416 ambi=2 { CA:44.078 } atom: 951 81S-QB B 3.771 ambi=2 { CB:63.68 } ::sumAvg: 4.325 atom: 951 81S-QB B 3.771 ambi=2 { CB:63.68 } atom: 963 83L-H N 8.687 ambi=1 { N:121.184 } ::sumAvg: 4.955 atom: 959 82G-HA3 A 3.843 ambi=2 { CA:44.078 } atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } ::sumAvg: 4.46 atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 959 82G-HA3 A 3.843 ambi=2 { CA:44.078 } ::sumAvg: 4.46 atom: 958 82G-HA2 A 4.416 ambi=2 { CA:44.078 } atom: 965 83L-HB2 B 1.752 ambi=2 { CB:42.773 } :: atom: 958 82G-HA2 A 4.416 ambi=2 { CA:44.078 } atom: 966 83L-HB3 B 1.146 ambi=2 { CB:42.773 } :: atom: 959 82G-HA3 A 3.843 ambi=2 { CA:44.078 } atom: 965 83L-HB2 B 1.752 ambi=2 { CB:42.773 } :: atom: 959 82G-HA3 A 3.843 ambi=2 { CA:44.078 } atom: 966 83L-HB3 B 1.146 ambi=2 { CB:42.773 } ::sumAvg: 4.48 atom: 965 83L-HB2 B 1.752 ambi=2 { CB:42.773 } atom: 958 82G-HA2 A 4.416 ambi=2 { CA:44.078 } :: atom: 966 83L-HB3 B 1.146 ambi=2 { CB:42.773 } atom: 958 82G-HA2 A 4.416 ambi=2 { CA:44.078 } :: atom: 965 83L-HB2 B 1.752 ambi=2 { CB:42.773 } atom: 959 82G-HA3 A 3.843 ambi=2 { CA:44.078 } :: atom: 966 83L-HB3 B 1.146 ambi=2 { CB:42.773 } atom: 959 82G-HA3 A 3.843 ambi=2 { CA:44.078 } ::sumAvg: 4.48 atom: 958 82G-HA2 A 4.416 ambi=2 { CA:44.078 } atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } :: atom: 958 82G-HA2 A 4.416 ambi=2 { CA:44.078 } atom: 969 83L-HD2 D2 0.611 ambi=2 { CD2:22.938 } :: atom: 959 82G-HA3 A 3.843 ambi=2 { CA:44.078 } atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } :: atom: 959 82G-HA3 A 3.843 ambi=2 { CA:44.078 } atom: 969 83L-HD2 D2 0.611 ambi=2 { CD2:22.938 } ::sumAvg: 4.375 atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } atom: 958 82G-HA2 A 4.416 ambi=2 { CA:44.078 } :: atom: 969 83L-HD2 D2 0.611 ambi=2 { CD2:22.938 } atom: 958 82G-HA2 A 4.416 ambi=2 { CA:44.078 } :: atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } atom: 959 82G-HA3 A 3.843 ambi=2 { CA:44.078 } :: atom: 969 83L-HD2 D2 0.611 ambi=2 { CD2:22.938 } atom: 959 82G-HA3 A 3.843 ambi=2 { CA:44.078 } ::sumAvg: 4.375 atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 963 83L-H N 8.687 ambi=1 { N:121.184 } ::sumAvg: 2.87 atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 965 83L-HB2 B 1.752 ambi=2 { CB:42.773 } :: atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 966 83L-HB3 B 1.146 ambi=2 { CB:42.773 } ::sumAvg: 2.455 atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 967 83L-HG G 1.688 ambi=1 { CG:26.613 } ::sumAvg: 3.265 atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 968 83L-HD1 D1 0.652 ambi=2 { CD1:25.333 } :: atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 969 83L-HD2 D2 0.611 ambi=2 { CD2:22.938 } ::sumAvg: 1.935 atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 977 84E-H N 8.803 ambi=1 { N:118.732 } ::sumAvg: 2.23 atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } ::sumAvg: 4.47 atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } ::sumAvg: 4.47 atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 979 84E-HB2 B 1.903 ambi=2 { CB:33.894 } :: atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } atom: 980 84E-HB3 B 1.741 ambi=2 { CB:33.894 } ::sumAvg: 4.565 atom: 979 84E-HB2 B 1.903 ambi=2 { CB:33.894 } atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } :: atom: 980 84E-HB3 B 1.741 ambi=2 { CB:33.894 } atom: 964 83L-HA A 4.641 ambi=1 { CA:55.344 } ::sumAvg: 4.565 atom: 965 83L-HB2 B 1.752 ambi=2 { CB:42.773 } atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } :: atom: 966 83L-HB3 B 1.146 ambi=2 { CB:42.773 } atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } ::sumAvg: 4.555 atom: 967 83L-HG G 1.688 ambi=1 { CG:26.613 } atom: 977 84E-H N 8.803 ambi=1 { N:118.732 } ::sumAvg: 3.975 atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 977 84E-H N 8.803 ambi=1 { N:118.732 } ::sumAvg: 4.815 atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } atom: 990 85I-HB B 1.396 ambi=1 { CB:41.988 } ::sumAvg: 4.49 atom: 990 85I-HB B 1.396 ambi=1 { CB:41.988 } atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } ::sumAvg: 4.49 atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } atom: 991 85I-HG12 G1 1.368 ambi=2 { CG1:28.708 } :: atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } atom: 992 85I-HG13 G1 0.567 ambi=2 { CG1:28.708 } ::sumAvg: 4.95 atom: 991 85I-HG12 G1 1.368 ambi=2 { CG1:28.708 } atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } :: atom: 992 85I-HG13 G1 0.567 ambi=2 { CG1:28.708 } atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } ::sumAvg: 4.95 atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } atom: 993 85I-HG2 G2 0.723 ambi=1 { CG2:15.639 } ::sumAvg: 4.505 atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } atom: 994 85I-HD1 D1 0.563 ambi=1 { CD1:13.482 } ::sumAvg: 4.405 atom: 994 85I-HD1 D1 0.563 ambi=1 { CD1:13.482 } atom: 978 84E-HA A 5.086 ambi=1 { CA:54.322 } ::sumAvg: 4.405 atom: 979 84E-HB2 B 1.903 ambi=2 { CB:33.894 } atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } :: atom: 980 84E-HB3 B 1.741 ambi=2 { CB:33.894 } atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } ::sumAvg: 4.625 atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 979 84E-HB2 B 1.903 ambi=2 { CB:33.894 } :: atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 980 84E-HB3 B 1.741 ambi=2 { CB:33.894 } ::sumAvg: 4.625 atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 988 85I-H N 9.042 ambi=1 { N:120.723 } ::sumAvg: 2.94 atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } atom: 988 85I-H N 9.042 ambi=1 { N:120.723 } :: atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } atom: 988 85I-H N 9.042 ambi=1 { N:120.723 } ::sumAvg: 4.85 atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 990 85I-HB B 1.396 ambi=1 { CB:41.988 } ::sumAvg: 2.73 atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 991 85I-HG12 G1 1.368 ambi=2 { CG1:28.708 } :: atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 992 85I-HG13 G1 0.567 ambi=2 { CG1:28.708 } ::sumAvg: 2.455 atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 993 85I-HG2 G2 0.723 ambi=1 { CG2:15.639 } ::sumAvg: 2.8 atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 994 85I-HD1 D1 0.563 ambi=1 { CD1:13.482 } ::sumAvg: 3.58 atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } ::sumAvg: 2.135 atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 1004 86S-HB2 B 4.172 ambi=2 { CB:62.971 } :: atom: 989 85I-HA A 4.921 ambi=1 { CA:59.082 } atom: 1005 86S-HB3 B 3.913 ambi=2 { CB:62.971 } ::sumAvg: 4.565 atom: 991 85I-HG12 G1 1.368 ambi=2 { CG1:28.708 } atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } :: atom: 992 85I-HG13 G1 0.567 ambi=2 { CG1:28.708 } atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } ::sumAvg: 4.835 atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } atom: 993 85I-HG2 G2 0.723 ambi=1 { CG2:15.639 } ::sumAvg: 3.875 atom: 993 85I-HG2 G2 0.723 ambi=1 { CG2:15.639 } atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } ::sumAvg: 4.755 atom: 994 85I-HD1 D1 0.563 ambi=1 { CD1:13.482 } atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } ::sumAvg: 4.835 atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } ::sumAvg: 2.9 atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } atom: 1002 86S-H N 9.29 ambi=1 { N:126.066 } ::sumAvg: 4.98 atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } atom: 1004 86S-HB2 B 4.172 ambi=2 { CB:62.971 } :: atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } atom: 1005 86S-HB3 B 3.913 ambi=2 { CB:62.971 } ::sumAvg: 2.42 atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } atom: 1010 87V-H N 8.553 ambi=1 { N:129.298 } ::sumAvg: 2.17 atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } ::sumAvg: 4.36 atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } ::sumAvg: 4.36 atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } ::sumAvg: 4.63 atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } ::sumAvg: 4.63 atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } :: atom: 1003 86S-HA A 4.872 ambi=1 { CA:57.421 } atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } ::sumAvg: 3.53 atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } atom: 1022 88D-HA A 4.95 ambi=1 { CA:55.067 } ::sumAvg: 4.43 atom: 1022 88D-HA A 4.95 ambi=1 { CA:55.067 } atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } ::sumAvg: 4.43 atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } atom: 1023 88D-QB B 2.656 ambi=2 { CB:43.02 } ::sumAvg: 4.5 atom: 1023 88D-QB B 2.656 ambi=2 { CB:43.02 } atom: 1011 87V-HA A 3.786 ambi=1 { CA:65.296 } ::sumAvg: 4.5 atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } ::sumAvg: 4.16 atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } atom: 1022 88D-HA A 4.95 ambi=1 { CA:55.067 } ::sumAvg: 4.865 atom: 1022 88D-HA A 4.95 ambi=1 { CA:55.067 } atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } ::sumAvg: 4.865 atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } ::sumAvg: 4.54 atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } ::sumAvg: 4.54 atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } ::sumAvg: 4.62 atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } ::sumAvg: 4.62 atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } ::sumAvg: 4.66 atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } atom: 1012 87V-HB B 2.157 ambi=1 { CB:32.493 } ::sumAvg: 4.66 atom: 1022 88D-HA A 4.95 ambi=1 { CA:55.067 } atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } :: atom: 1022 88D-HA A 4.95 ambi=1 { CA:55.067 } atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } ::sumAvg: 3.54 atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } :: atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } ::sumAvg: 3.46 atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } :: atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } ::sumAvg: 3.46 atom: 1031 89N-HB2 B 2.647 ambi=2 { CB:42.212 } atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } :: atom: 1032 89N-HB3 B 2.595 ambi=2 { CB:42.212 } atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } :: atom: 1031 89N-HB2 B 2.647 ambi=2 { CB:42.212 } atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } :: atom: 1032 89N-HB3 B 2.595 ambi=2 { CB:42.212 } atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } ::sumAvg: 4.5 atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } :: atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } ::sumAvg: 3.58 atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } atom: 1013 87V-HG1 G1 0.841 ambi=2 { CG1:22.632 } :: atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } atom: 1014 87V-HG2 G2 0.721 ambi=2 { CG2:22.299 } ::sumAvg: 3.58 atom: 1022 88D-HA A 4.95 ambi=1 { CA:55.067 } atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } ::sumAvg: 2.94 atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } ::sumAvg: 4.695 atom: 1031 89N-HB2 B 2.647 ambi=2 { CB:42.212 } atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } :: atom: 1032 89N-HB3 B 2.595 ambi=2 { CB:42.212 } atom: 1021 88D-H N 9.78 ambi=1 { N:127.212 } ::sumAvg: 4.87 atom: 1022 88D-HA A 4.95 ambi=1 { CA:55.067 } atom: 1023 88D-QB B 2.656 ambi=2 { CB:43.02 } ::sumAvg: 2.255 atom: 1022 88D-HA A 4.95 ambi=1 { CA:55.067 } atom: 1029 89N-H N 7.86 ambi=1 { N:116.698 } ::sumAvg: 3.52 atom: 1023 88D-QB B 2.656 ambi=2 { CB:43.02 } atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } ::sumAvg: 4.375 atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } atom: 1023 88D-QB B 2.656 ambi=2 { CB:43.02 } ::sumAvg: 4.375 atom: 1023 88D-QB B 2.656 ambi=2 { CB:43.02 } atom: 1033 89N-HD21 D2 7.634 ambi=1 { ND2:113.449 } ::sumAvg: 4.465 atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } atom: 1029 89N-H N 7.86 ambi=1 { N:116.698 } ::sumAvg: 2.92 atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } atom: 1029 89N-H N 7.86 ambi=1 { N:116.698 } ::sumAvg: 4.805 atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } atom: 1029 89N-H N 7.86 ambi=1 { N:116.698 } ::sumAvg: 4.635 atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } atom: 1029 89N-H N 7.86 ambi=1 { N:116.698 } ::sumAvg: 4.855 atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } atom: 1031 89N-HB2 B 2.647 ambi=2 { CB:42.212 } :: atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } atom: 1032 89N-HB3 B 2.595 ambi=2 { CB:42.212 } ::sumAvg: 2.435 atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } atom: 1033 89N-HD21 D2 7.634 ambi=1 { ND2:113.449 } :: atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } atom: 1034 89N-HD22 D2 6.844 ambi=1 { ND2:113.449 } ::sumAvg: 3.95 atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } atom: 1041 90I-H N 8.127 ambi=1 { N:121.454 } ::sumAvg: 2.24 atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } ::sumAvg: 4.46 atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } ::sumAvg: 4.46 atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } ::sumAvg: 4.575 atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } ::sumAvg: 4.575 atom: 1030 89N-HA A 4.77 ambi=1 { CA:53.48 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } ::sumAvg: 3.54 atom: 1031 89N-HB2 B 2.647 ambi=2 { CB:42.212 } atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } :: atom: 1032 89N-HB3 B 2.595 ambi=2 { CB:42.212 } atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } ::sumAvg: 4.365 atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } atom: 1031 89N-HB2 B 2.647 ambi=2 { CB:42.212 } :: atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } atom: 1032 89N-HB3 B 2.595 ambi=2 { CB:42.212 } ::sumAvg: 4.365 atom: 1031 89N-HB2 B 2.647 ambi=2 { CB:42.212 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } :: atom: 1032 89N-HB3 B 2.595 ambi=2 { CB:42.212 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } ::sumAvg: 4.96 atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } atom: 1031 89N-HB2 B 2.647 ambi=2 { CB:42.212 } :: atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } atom: 1032 89N-HB3 B 2.595 ambi=2 { CB:42.212 } ::sumAvg: 4.96 atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } atom: 1041 90I-H N 8.127 ambi=1 { N:121.454 } ::sumAvg: 2.925 atom: 1043 90I-HB B 1.397 ambi=1 { CB:41.019 } atom: 1041 90I-H N 8.127 ambi=1 { N:121.454 } ::sumAvg: 3.305 atom: 1044 90I-HG12 G1 1.446 ambi=2 { CG1:28.55 } atom: 1041 90I-H N 8.127 ambi=1 { N:121.454 } :: atom: 1045 90I-HG13 G1 0.569 ambi=2 { CG1:28.55 } atom: 1041 90I-H N 8.127 ambi=1 { N:121.454 } ::sumAvg: 4.49 atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } atom: 1041 90I-H N 8.127 ambi=1 { N:121.454 } ::sumAvg: 4.795 atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } :: atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } ::sumAvg: 4.395 atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } :: atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } atom: 1042 90I-HA A 5.236 ambi=1 { CA:58.599 } ::sumAvg: 4.395 atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } atom: 1044 90I-HG12 G1 1.446 ambi=2 { CG1:28.55 } :: atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } atom: 1044 90I-HG12 G1 1.446 ambi=2 { CG1:28.55 } :: atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } atom: 1045 90I-HG13 G1 0.569 ambi=2 { CG1:28.55 } :: atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } atom: 1045 90I-HG13 G1 0.569 ambi=2 { CG1:28.55 } ::sumAvg: 3.42 atom: 1045 90I-HG13 G1 0.569 ambi=2 { CG1:28.55 } atom: 1064 92I-HG12 G1 1.695 ambi=2 { CG1:27.365 } :: atom: 1045 90I-HG13 G1 0.569 ambi=2 { CG1:28.55 } atom: 1065 92I-HG13 G1 1.652 ambi=2 { CG1:27.365 } ::sumAvg: 4.705 atom: 1064 92I-HG12 G1 1.695 ambi=2 { CG1:27.365 } atom: 1045 90I-HG13 G1 0.569 ambi=2 { CG1:28.55 } :: atom: 1065 92I-HG13 G1 1.652 ambi=2 { CG1:27.365 } atom: 1045 90I-HG13 G1 0.569 ambi=2 { CG1:28.55 } ::sumAvg: 4.705 atom: 1044 90I-HG12 G1 1.446 ambi=2 { CG1:28.55 } atom: 1067 92I-HD1 D1 0.957 ambi=1 { CD1:10.753 } ::sumAvg: 4.78 atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } :: atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } ::sumAvg: 3.695 atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } :: atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } atom: 1046 90I-HG2 G2 -0.097 ambi=1 { CG2:12.581 } ::sumAvg: 3.695 atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } :: atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } atom: 1047 90I-HD1 D1 0.565 ambi=1 { CD1:14.375 } ::sumAvg: 4.905 atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } atom: 1055 91G-H N 8.357 ambi=1 { N:112.28 } ::sumAvg: 4.775 atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } ::sumAvg: 4.35 atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } ::sumAvg: 4.35 atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } atom: 1063 92I-HB B 2.076 ambi=1 { CB:36.938 } :: atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } atom: 1063 92I-HB B 2.076 ambi=1 { CB:36.938 } ::sumAvg: 4.73 atom: 1063 92I-HB B 2.076 ambi=1 { CB:36.938 } atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } :: atom: 1063 92I-HB B 2.076 ambi=1 { CB:36.938 } atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } ::sumAvg: 4.73 atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } atom: 1064 92I-HG12 G1 1.695 ambi=2 { CG1:27.365 } :: atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } atom: 1065 92I-HG13 G1 1.652 ambi=2 { CG1:27.365 } :: atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } atom: 1064 92I-HG12 G1 1.695 ambi=2 { CG1:27.365 } :: atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } atom: 1065 92I-HG13 G1 1.652 ambi=2 { CG1:27.365 } ::sumAvg: 3.47 atom: 1064 92I-HG12 G1 1.695 ambi=2 { CG1:27.365 } atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } :: atom: 1065 92I-HG13 G1 1.652 ambi=2 { CG1:27.365 } atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } :: atom: 1064 92I-HG12 G1 1.695 ambi=2 { CG1:27.365 } atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } :: atom: 1065 92I-HG13 G1 1.652 ambi=2 { CG1:27.365 } atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } ::sumAvg: 3.47 atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } atom: 1067 92I-HD1 D1 0.957 ambi=1 { CD1:10.753 } :: atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } atom: 1067 92I-HD1 D1 0.957 ambi=1 { CD1:10.753 } ::sumAvg: 4.385 atom: 1067 92I-HD1 D1 0.957 ambi=1 { CD1:10.753 } atom: 1056 91G-HA2 A 4.518 ambi=2 { CA:44.328 } :: atom: 1067 92I-HD1 D1 0.957 ambi=1 { CD1:10.753 } atom: 1057 91G-HA3 A 3.805 ambi=2 { CA:44.328 } ::sumAvg: 4.385 atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } atom: 1061 92I-H N 9.023 ambi=1 { N:122.874 } ::sumAvg: 2.925 atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } atom: 1063 92I-HB B 2.076 ambi=1 { CB:36.938 } ::sumAvg: 3.03 atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } atom: 1064 92I-HG12 G1 1.695 ambi=2 { CG1:27.365 } :: atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } atom: 1065 92I-HG13 G1 1.652 ambi=2 { CG1:27.365 } ::sumAvg: 2.815 atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } atom: 1075 93I-H N 9.047 ambi=1 { N:129.183 } ::sumAvg: 2.16 atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } atom: 1076 93I-HA A 4.181 ambi=1 { CA:61.196 } ::sumAvg: 4.405 atom: 1076 93I-HA A 4.181 ambi=1 { CA:61.196 } atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } ::sumAvg: 4.405 atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } atom: 1077 93I-HB B 1.69 ambi=1 { CB:38.474 } ::sumAvg: 4.55 atom: 1078 93I-HG12 G1 1.394 ambi=2 { CG1:27.237 } atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } :: atom: 1079 93I-HG13 G1 1.095 ambi=2 { CG1:27.237 } atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } ::sumAvg: 3.895 atom: 1062 92I-HA A 4.595 ambi=1 { CA:59.505 } atom: 1089 94E-H N 8.137 ambi=1 { N:122.628 } ::sumAvg: 4.185 atom: 1063 92I-HB B 2.076 ambi=1 { CB:36.938 } atom: 1100 95K-H N 8.632 ambi=1 { N:124.835 } ::sumAvg: 4.68 atom: 1063 92I-HB B 2.076 ambi=1 { CB:36.938 } atom: 1104 95K-HG2 G 1.461 ambi=2 { CG:25.061 } :: atom: 1063 92I-HB B 2.076 ambi=1 { CB:36.938 } atom: 1105 95K-HG3 G 1.37 ambi=2 { CG:25.061 } ::sumAvg: 4.135 atom: 1104 95K-HG2 G 1.461 ambi=2 { CG:25.061 } atom: 1063 92I-HB B 2.076 ambi=1 { CB:36.938 } :: atom: 1105 95K-HG3 G 1.37 ambi=2 { CG:25.061 } atom: 1063 92I-HB B 2.076 ambi=1 { CB:36.938 } ::sumAvg: 4.135 atom: 1063 92I-HB B 2.076 ambi=1 { CB:36.938 } atom: 1108 95K-QE E 2.9745 ambi=2 { CE:42.046 } ::sumAvg: 4.64 atom: 1108 95K-QE E 2.9745 ambi=2 { CE:42.046 } atom: 1063 92I-HB B 2.076 ambi=1 { CB:36.938 } ::sumAvg: 4.64 atom: 1064 92I-HG12 G1 1.695 ambi=2 { CG1:27.365 } atom: 1108 95K-QE E 2.9745 ambi=2 { CE:42.046 } :: atom: 1065 92I-HG13 G1 1.652 ambi=2 { CG1:27.365 } atom: 1108 95K-QE E 2.9745 ambi=2 { CE:42.046 } ::sumAvg: 4.635 atom: 1066 92I-HG2 G2 0.916 ambi=1 { CG2:17.806 } atom: 1090 94E-HA A 4.422 ambi=1 { CA:56.065 } ::sumAvg: 3.625 atom: 1091 94E-HB2 B 1.988 ambi=2 { CB:31.725 } atom: 1066 92I-HG2 G2 0.916 ambi=1 { CG2:17.806 } :: atom: 1092 94E-HB3 B 1.911 ambi=2 { CB:31.725 } atom: 1066 92I-HG2 G2 0.916 ambi=1 { CG2:17.806 } ::sumAvg: 3.53 atom: 1104 95K-HG2 G 1.461 ambi=2 { CG:25.061 } atom: 1066 92I-HG2 G2 0.916 ambi=1 { CG2:17.806 } :: atom: 1105 95K-HG3 G 1.37 ambi=2 { CG:25.061 } atom: 1066 92I-HG2 G2 0.916 ambi=1 { CG2:17.806 } ::sumAvg: 2.755 atom: 1106 95K-QD D 1.656 ambi=2 { CD:29.199 } atom: 1066 92I-HG2 G2 0.916 ambi=1 { CG2:17.806 } ::sumAvg: 3.125 atom: 1066 92I-HG2 G2 0.916 ambi=1 { CG2:17.806 } atom: 1117 96S-H N 8.896 ambi=1 { N:117.785 } ::sumAvg: 4.54 atom: 1104 95K-HG2 G 1.461 ambi=2 { CG:25.061 } atom: 1067 92I-HD1 D1 0.957 ambi=1 { CD1:10.753 } :: atom: 1105 95K-HG3 G 1.37 ambi=2 { CG:25.061 } atom: 1067 92I-HD1 D1 0.957 ambi=1 { CD1:10.753 } ::sumAvg: 3.94 atom: 1106 95K-QD D 1.656 ambi=2 { CD:29.199 } atom: 1067 92I-HD1 D1 0.957 ambi=1 { CD1:10.753 } ::sumAvg: 4.295 atom: 1067 92I-HD1 D1 0.957 ambi=1 { CD1:10.753 } atom: 1108 95K-QE E 2.9745 ambi=2 { CE:42.046 } ::sumAvg: 4.215 atom: 1077 93I-HB B 1.69 ambi=1 { CB:38.474 } atom: 1090 94E-HA A 4.422 ambi=1 { CA:56.065 } ::sumAvg: 4.74 atom: 1090 94E-HA A 4.422 ambi=1 { CA:56.065 } atom: 1077 93I-HB B 1.69 ambi=1 { CB:38.474 } ::sumAvg: 4.74 atom: 1077 93I-HB B 1.69 ambi=1 { CB:38.474 } atom: 1093 94E-QG G 2.2355 ambi=2 { CG:36.222 } ::sumAvg: 4.45 atom: 1093 94E-QG G 2.2355 ambi=2 { CG:36.222 } atom: 1077 93I-HB B 1.69 ambi=1 { CB:38.474 } ::sumAvg: 4.45 atom: 1078 93I-HG12 G1 1.394 ambi=2 { CG1:27.237 } atom: 1089 94E-H N 8.137 ambi=1 { N:122.628 } :: atom: 1079 93I-HG13 G1 1.095 ambi=2 { CG1:27.237 } atom: 1089 94E-H N 8.137 ambi=1 { N:122.628 } ::sumAvg: 4.31 atom: 1080 93I-HG2 G2 0.869 ambi=1 { CG2:17.384 } atom: 1090 94E-HA A 4.422 ambi=1 { CA:56.065 } ::sumAvg: 3.6 atom: 1091 94E-HB2 B 1.988 ambi=2 { CB:31.725 } atom: 1080 93I-HG2 G2 0.869 ambi=1 { CG2:17.384 } :: atom: 1092 94E-HB3 B 1.911 ambi=2 { CB:31.725 } atom: 1080 93I-HG2 G2 0.869 ambi=1 { CG2:17.384 } ::sumAvg: 3.775 atom: 1081 93I-HD1 D1 0.73 ambi=1 { CD1:12.223 } atom: 1089 94E-H N 8.137 ambi=1 { N:122.628 } ::sumAvg: 4.44 atom: 1091 94E-HB2 B 1.988 ambi=2 { CB:31.725 } atom: 1100 95K-H N 8.632 ambi=1 { N:124.835 } :: atom: 1092 94E-HB3 B 1.911 ambi=2 { CB:31.725 } atom: 1100 95K-H N 8.632 ambi=1 { N:124.835 } ::sumAvg: 3.67 atom: 1091 94E-HB2 B 1.988 ambi=2 { CB:31.725 } atom: 1101 95K-HA A 4.344 ambi=1 { CA:56.276 } :: atom: 1092 94E-HB3 B 1.911 ambi=2 { CB:31.725 } atom: 1101 95K-HA A 4.344 ambi=1 { CA:56.276 } ::sumAvg: 4.8 atom: 1106 95K-QD D 1.656 ambi=2 { CD:29.199 } atom: 1100 95K-H N 8.632 ambi=1 { N:124.835 } ::sumAvg: 4.18 atom: 1108 95K-QE E 2.9745 ambi=2 { CE:42.046 } atom: 1101 95K-HA A 4.344 ambi=1 { CA:56.276 } ::sumAvg: 4.97 atom: 1101 95K-HA A 4.344 ambi=1 { CA:56.276 } atom: 1119 96S-HB2 B 3.93 ambi=2 { CB:63.785 } :: atom: 1101 95K-HA A 4.344 ambi=1 { CA:56.276 } atom: 1120 96S-HB3 B 3.806 ambi=2 { CB:63.785 } ::sumAvg: 4.915 atom: 1102 95K-HB2 B 1.818 ambi=2 { CB:33.345 } atom: 1108 95K-QE E 2.9745 ambi=2 { CE:42.046 } :: atom: 1103 95K-HB3 B 1.706 ambi=2 { CB:33.345 } atom: 1108 95K-QE E 2.9745 ambi=2 { CE:42.046 } ::sumAvg: 3.925 atom: 1102 95K-HB2 B 1.818 ambi=2 { CB:33.345 } atom: 1125 97L-H N 8.433 ambi=1 { N:123.92 } :: atom: 1103 95K-HB3 B 1.706 ambi=2 { CB:33.345 } atom: 1125 97L-H N 8.433 ambi=1 { N:123.92 } ::sumAvg: 4.6 atom: 1118 96S-HA A 4.311 ambi=1 { CA:58.696 } atom: 1130 97L-HD1 D1 0.901 ambi=2 { CD1:25.023 } :: atom: 1118 96S-HA A 4.311 ambi=1 { CA:58.696 } atom: 1131 97L-HD2 D2 0.842 ambi=2 { CD2:23.451 } ::sumAvg: 4.59 atom: 1118 96S-HA A 4.311 ambi=1 { CA:58.696 } atom: 1139 98E-H N 8.183 ambi=1 { N:120.326 } ::sumAvg: 4.98 atom: 1126 97L-HA A 4.286 ambi=1 { CA:55.657 } atom: 1120 96S-HB3 B 3.806 ambi=2 { CB:63.785 } ::sumAvg: 4.86 atom: 1119 96S-HB2 B 3.93 ambi=2 { CB:63.785 } atom: 1139 98E-H N 8.183 ambi=1 { N:120.326 } :: atom: 1120 96S-HB3 B 3.806 ambi=2 { CB:63.785 } atom: 1139 98E-H N 8.183 ambi=1 { N:120.326 } ::sumAvg: 4.735 atom: 1130 97L-HD1 D1 0.901 ambi=2 { CD1:25.023 } atom: 1125 97L-H N 8.433 ambi=1 { N:123.92 } :: atom: 1131 97L-HD2 D2 0.842 ambi=2 { CD2:23.451 } atom: 1125 97L-H N 8.433 ambi=1 { N:123.92 } ::sumAvg: 3.13 atom: 1140 98E-HA A 4.133 ambi=1 { CA:56.919 } atom: 1125 97L-H N 8.433 ambi=1 { N:123.92 } ::sumAvg: 4.97 atom: 1129 97L-HG G 1.627 ambi=1 { CG:26.956 } atom: 1139 98E-H N 8.183 ambi=1 { N:120.326 } ::sumAvg: 4.105 atom: 1130 97L-HD1 D1 0.901 ambi=2 { CD1:25.023 } atom: 1139 98E-H N 8.183 ambi=1 { N:120.326 } :: atom: 1131 97L-HD2 D2 0.842 ambi=2 { CD2:23.451 } atom: 1139 98E-H N 8.183 ambi=1 { N:120.326 } ::sumAvg: 3.5 atom: 1130 97L-HD1 D1 0.901 ambi=2 { CD1:25.023 } atom: 1140 98E-HA A 4.133 ambi=1 { CA:56.919 } :: atom: 1131 97L-HD2 D2 0.842 ambi=2 { CD2:23.451 } atom: 1140 98E-HA A 4.133 ambi=1 { CA:56.919 } ::sumAvg: 4.58 atom: 1140 98E-HA A 4.133 ambi=1 { CA:56.919 } atom: 1130 97L-HD1 D1 0.901 ambi=2 { CD1:25.023 } :: atom: 1140 98E-HA A 4.133 ambi=1 { CA:56.919 } atom: 1131 97L-HD2 D2 0.842 ambi=2 { CD2:23.451 } ::sumAvg: 4.58 atom: 1130 97L-HD1 D1 0.901 ambi=2 { CD1:25.023 } atom: 1143 98E-HG2 G 2.2 ambi=2 { CG:36.171 } :: atom: 1130 97L-HD1 D1 0.901 ambi=2 { CD1:25.023 } atom: 1144 98E-HG3 G 2.123 ambi=2 { CG:36.171 } :: atom: 1131 97L-HD2 D2 0.842 ambi=2 { CD2:23.451 } atom: 1143 98E-HG2 G 2.2 ambi=2 { CG:36.171 } :: atom: 1131 97L-HD2 D2 0.842 ambi=2 { CD2:23.451 } atom: 1144 98E-HG3 G 2.123 ambi=2 { CG:36.171 } ::sumAvg: 4.95