# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 13 2N-HD21 D2 6.936 ambi=2 { ND2:115.6 } atom: 1 1M-HA A 4.344 ambi=1 { CA:55.19 } :: atom: 14 2N-HD22 D2 7.945 ambi=2 { ND2:115.6 } atom: 1 1M-HA A 4.344 ambi=1 { CA:55.19 } ::sumAvg: 4.865 atom: 19 3L-H N 8.769 ambi=1 { N:121.8 } atom: 4 1M-HG2 G 2.203 ambi=2 { CG:30.15 } :: atom: 19 3L-H N 8.769 ambi=1 { N:121.8 } atom: 5 1M-HG3 G 2.347 ambi=2 { CG:30.15 } ::sumAvg: 4.655 atom: 9 2N-H N 9.645 ambi=1 { N:125.3 } atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } ::sumAvg: 4.71 atom: 9 2N-H N 9.645 ambi=1 { N:125.3 } atom: 109 11T-HG2 G2 1.148 ambi=1 { CG2:21.579 } ::sumAvg: 4.87 atom: 589 56D-H N 8.111 ambi=1 { N:116.7 } atom: 9 2N-H N 9.645 ambi=1 { N:125.3 } ::sumAvg: 4.975 atom: 98 10S-H N 8.97 ambi=1 { N:120.3 } atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } ::sumAvg: 4.975 atom: 106 11T-H N 8.59 ambi=1 { N:120.191 } atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } ::sumAvg: 4.67 atom: 98 10S-H N 8.97 ambi=1 { N:120.3 } atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } ::sumAvg: 4.915 atom: 13 2N-HD21 D2 6.936 ambi=2 { ND2:115.6 } atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } :: atom: 14 2N-HD22 D2 7.945 ambi=2 { ND2:115.6 } atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } ::sumAvg: 4.615 atom: 42 5V-H N 8.955 ambi=1 { N:126 } atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } :: atom: 42 5V-H N 8.955 ambi=1 { N:126 } atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } ::sumAvg: 4.66 atom: 98 10S-H N 8.97 ambi=1 { N:120.3 } atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } :: atom: 98 10S-H N 8.97 ambi=1 { N:120.3 } atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } ::sumAvg: 4.525 atom: 115 12V-H N 8.563 ambi=1 { N:125 } atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } :: atom: 115 12V-H N 8.563 ambi=1 { N:125 } atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } ::sumAvg: 4.515 atom: 19 3L-H N 8.769 ambi=1 { N:121.8 } atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } ::sumAvg: 4.9 atom: 19 3L-H N 8.769 ambi=1 { N:121.8 } atom: 86 9P-HA A 4.7 ambi=1 { CA:63.99 } ::sumAvg: 4.93 atom: 19 3L-H N 8.769 ambi=1 { N:121.8 } atom: 99 10S-HA A 4.822 ambi=1 { CA:57.88 } ::sumAvg: 4.875 atom: 19 3L-H N 8.769 ambi=1 { N:121.8 } atom: 108 11T-HB B 3.904 ambi=1 { CB:71.95 } ::sumAvg: 4.94 atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } atom: 20 3L-HA A 4.949 ambi=1 { CA:54.223 } ::sumAvg: 4.895 atom: 33 4T-H N 8.329 ambi=1 { N:116.2 } atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } ::sumAvg: 4.925 atom: 115 12V-H N 8.563 ambi=1 { N:125 } atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } ::sumAvg: 4.555 atom: 33 4T-H N 8.329 ambi=1 { N:116.2 } atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } ::sumAvg: 4.92 atom: 98 10S-H N 8.97 ambi=1 { N:120.3 } atom: 33 4T-H N 8.329 ambi=1 { N:116.2 } ::sumAvg: 4.5 atom: 33 4T-H N 8.329 ambi=1 { N:116.2 } atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } ::sumAvg: 4.86 atom: 33 4T-H N 8.329 ambi=1 { N:116.2 } atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } :: atom: 33 4T-H N 8.329 ambi=1 { N:116.2 } atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } ::sumAvg: 4.32 atom: 64 7G-H N 8.915 ambi=1 { N:102.2 } atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } ::sumAvg: 4.93 atom: 70 8K-H N 7.9 ambi=1 { N:121.7 } atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } ::sumAvg: 4.405 atom: 611 59A-H N 8.326 ambi=1 { N:121.1 } atom: 35 4T-HB B 3.791 ambi=1 { CB:69.43 } ::sumAvg: 4.725 atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } :: atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } ::sumAvg: 3.57 atom: 64 7G-H N 8.915 ambi=1 { N:102.2 } atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } ::sumAvg: 4.305 atom: 42 5V-H N 8.955 ambi=1 { N:126 } atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } ::sumAvg: 2.905 atom: 42 5V-H N 8.955 ambi=1 { N:126 } atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } :: atom: 42 5V-H N 8.955 ambi=1 { N:126 } atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } ::sumAvg: 4.46 atom: 70 8K-H N 7.9 ambi=1 { N:121.7 } atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } ::sumAvg: 4.36 atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } ::sumAvg: 4.89 atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } atom: 44 5V-HB B 1.952 ambi=1 { CB:33.59 } :: atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } atom: 44 5V-HB B 1.952 ambi=1 { CB:33.59 } ::sumAvg: 4.44 atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } :: atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } ::sumAvg: 3.88 atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } atom: 631 61E-HB2 B 1.733 ambi=2 { CB:32.477 } :: atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } atom: 632 61E-HB3 B 1.969 ambi=2 { CB:32.477 } :: atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } atom: 631 61E-HB2 B 1.733 ambi=2 { CB:32.477 } :: atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } atom: 632 61E-HB3 B 1.969 ambi=2 { CB:32.477 } ::sumAvg: 4.185 atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } :: atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } ::sumAvg: 4.225 atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } atom: 658 63L-H N 8.996 ambi=1 { N:125 } :: atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } atom: 658 63L-H N 8.996 ambi=1 { N:125 } ::sumAvg: 4.315 atom: 658 63L-H N 8.996 ambi=1 { N:125 } atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } :: atom: 658 63L-H N 8.996 ambi=1 { N:125 } atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } ::sumAvg: 4.315 atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } :: atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } :: atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } :: atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } ::sumAvg: 4.755 atom: 53 6N-H N 9.534 ambi=1 { N:129.4 } atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } :: atom: 53 6N-H N 9.534 ambi=1 { N:129.4 } atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } ::sumAvg: 3.36 atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } atom: 53 6N-H N 9.534 ambi=1 { N:129.4 } :: atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } atom: 53 6N-H N 9.534 ambi=1 { N:129.4 } ::sumAvg: 3.36 atom: 53 6N-H N 9.534 ambi=1 { N:129.4 } atom: 70 8K-H N 7.9 ambi=1 { N:121.7 } ::sumAvg: 4.115 atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } atom: 53 6N-H N 9.534 ambi=1 { N:129.4 } ::sumAvg: 4.635 atom: 53 6N-H N 9.534 ambi=1 { N:129.4 } atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } ::sumAvg: 2.27 atom: 53 6N-H N 9.534 ambi=1 { N:129.4 } atom: 642 62F-HB2 B 2.986 ambi=2 { CB:39.64 } :: atom: 53 6N-H N 9.534 ambi=1 { N:129.4 } atom: 643 62F-HB3 B 2.754 ambi=2 { CB:39.64 } ::sumAvg: 4.55 atom: 70 8K-H N 7.9 ambi=1 { N:121.7 } atom: 54 6N-HA A 4.636 ambi=1 { CA:54.15 } ::sumAvg: 4.415 atom: 640 62F-H N 9.075 ambi=1 { N:122 } atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } :: atom: 640 62F-H N 9.075 ambi=1 { N:122 } atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } ::sumAvg: 4.36 atom: 64 7G-H N 8.915 ambi=1 { N:102.2 } atom: 72 8K-HB2 B 1.912 ambi=2 { CB:34.01 } :: atom: 64 7G-H N 8.915 ambi=1 { N:102.2 } atom: 73 8K-HB3 B 1.812 ambi=2 { CB:34.01 } ::sumAvg: 4.95 atom: 64 7G-H N 8.915 ambi=1 { N:102.2 } atom: 76 8K-QD D 1.753 ambi=2 { CD:29.07 } ::sumAvg: 4.875 atom: 64 7G-H N 8.915 ambi=1 { N:102.2 } atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } ::sumAvg: 4.405 atom: 64 7G-H N 8.915 ambi=1 { N:102.2 } atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } ::sumAvg: 4.29 atom: 64 7G-H N 8.915 ambi=1 { N:102.2 } atom: 633 61E-HG2 G 2.02 ambi=2 { CG:35.798 } :: atom: 64 7G-H N 8.915 ambi=1 { N:102.2 } atom: 634 61E-HG3 G 2.196 ambi=2 { CG:35.798 } ::sumAvg: 3.95 atom: 70 8K-H N 7.9 ambi=1 { N:121.7 } atom: 76 8K-QD D 1.753 ambi=2 { CD:29.07 } ::sumAvg: 3.175 atom: 70 8K-H N 7.9 ambi=1 { N:121.7 } atom: 78 8K-QE E 2.83 ambi=2 { CE:42.39 } ::sumAvg: 4.17 atom: 98 10S-H N 8.97 ambi=1 { N:120.3 } atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } ::sumAvg: 4.845 atom: 115 12V-H N 8.563 ambi=1 { N:125 } atom: 100 10S-QB B 3.554 ambi=2 { CB:66.361 } ::sumAvg: 4.815 atom: 106 11T-H N 8.59 ambi=1 { N:120.191 } atom: 116 12V-HA A 4.172 ambi=1 { CA:61.35 } ::sumAvg: 4.945 atom: 140 15A-H N 7.36 ambi=1 { N:121.213 } atom: 128 13D-HB2 B 2.612 ambi=2 { CB:41.45 } :: atom: 140 15A-H N 7.36 ambi=1 { N:121.213 } atom: 129 13D-HB3 B 2.513 ambi=2 { CB:41.45 } ::sumAvg: 4.21 atom: 134 14G-H N 8.697 ambi=1 { N:109.9 } atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } ::sumAvg: 4.695 atom: 147 16E-H N 8.967 ambi=1 { N:120.8 } atom: 140 15A-H N 7.36 ambi=1 { N:121.213 } ::sumAvg: 4.01 atom: 140 15A-H N 7.36 ambi=1 { N:121.213 } atom: 148 16E-HA A 4.406 ambi=1 { CA:57.17 } ::sumAvg: 4.925 atom: 147 16E-H N 8.967 ambi=1 { N:120.8 } atom: 170 18L-HG G 1.446 ambi=1 { CG:26.73 } ::sumAvg: 4.81 atom: 147 16E-H N 8.967 ambi=1 { N:120.8 } atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } :: atom: 147 16E-H N 8.967 ambi=1 { N:120.8 } atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } ::sumAvg: 4.53 atom: 561 54V-H N 9.223 ambi=1 { N:126.2 } atom: 159 17S-HA A 4.891 ambi=1 { CA:57.797 } ::sumAvg: 4.955 atom: 166 18L-H N 8.285 ambi=1 { N:122.165 } atom: 167 18L-HA A 4.81 ambi=1 { CA:54.23 } ::sumAvg: 2.895 atom: 166 18L-H N 8.285 ambi=1 { N:122.165 } atom: 170 18L-HG G 1.446 ambi=1 { CG:26.73 } ::sumAvg: 2.6 atom: 561 54V-H N 9.223 ambi=1 { N:126.2 } atom: 167 18L-HA A 4.81 ambi=1 { CA:54.23 } ::sumAvg: 4.845 atom: 211 22E-H N 8.75 ambi=1 { N:121.238 } atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } :: atom: 211 22E-H N 8.75 ambi=1 { N:121.238 } atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } ::sumAvg: 4.675 atom: 258 26A-H N 8.712 ambi=1 { N:126.1 } atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } :: atom: 258 26A-H N 8.712 ambi=1 { N:126.1 } atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } ::sumAvg: 4.695 atom: 211 22E-H N 8.75 ambi=1 { N:121.238 } atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } ::sumAvg: 4.755 atom: 543 52T-H N 7.503 ambi=1 { N:117.7 } atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } ::sumAvg: 4.96 atom: 552 53T-H N 8.354 ambi=1 { N:120.7 } atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } ::sumAvg: 4.7 atom: 222 23L-H N 8.766 ambi=1 { N:123.9 } atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } :: atom: 222 23L-H N 8.766 ambi=1 { N:123.9 } atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } ::sumAvg: 4.985 atom: 561 54V-H N 9.223 ambi=1 { N:126.2 } atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } :: atom: 561 54V-H N 9.223 ambi=1 { N:126.2 } atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } ::sumAvg: 4.835 atom: 184 19N-HD21 D2 7.16 ambi=2 { ND2:112.1 } atom: 191 20V-H N 7.805 ambi=1 { N:117.9 } :: atom: 185 19N-HD22 D2 7.38 ambi=2 { ND2:112.1 } atom: 191 20V-H N 7.805 ambi=1 { N:117.9 } ::sumAvg: 4.445 atom: 191 20V-H N 7.805 ambi=1 { N:117.9 } atom: 184 19N-HD21 D2 7.16 ambi=2 { ND2:112.1 } :: atom: 191 20V-H N 7.805 ambi=1 { N:117.9 } atom: 185 19N-HD22 D2 7.38 ambi=2 { ND2:112.1 } ::sumAvg: 4.445 atom: 184 19N-HD21 D2 7.16 ambi=2 { ND2:112.1 } atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } :: atom: 185 19N-HD22 D2 7.38 ambi=2 { ND2:112.1 } atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } ::sumAvg: 4.265 atom: 211 22E-H N 8.75 ambi=1 { N:121.238 } atom: 184 19N-HD21 D2 7.16 ambi=2 { ND2:112.1 } :: atom: 211 22E-H N 8.75 ambi=1 { N:121.238 } atom: 185 19N-HD22 D2 7.38 ambi=2 { ND2:112.1 } ::sumAvg: 3.74 atom: 184 19N-HD21 D2 7.16 ambi=2 { ND2:112.1 } atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } :: atom: 184 19N-HD21 D2 7.16 ambi=2 { ND2:112.1 } atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } :: atom: 185 19N-HD22 D2 7.38 ambi=2 { ND2:112.1 } atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } :: atom: 185 19N-HD22 D2 7.38 ambi=2 { ND2:112.1 } atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } ::sumAvg: 4.77 atom: 211 22E-H N 8.75 ambi=1 { N:121.238 } atom: 191 20V-H N 7.805 ambi=1 { N:117.9 } ::sumAvg: 4.44 atom: 222 23L-H N 8.766 ambi=1 { N:123.9 } atom: 191 20V-H N 7.805 ambi=1 { N:117.9 } ::sumAvg: 4.765 atom: 191 20V-H N 7.805 ambi=1 { N:117.9 } atom: 561 54V-H N 9.223 ambi=1 { N:126.2 } ::sumAvg: 4.27 atom: 561 54V-H N 9.223 ambi=1 { N:126.2 } atom: 191 20V-H N 7.805 ambi=1 { N:117.9 } ::sumAvg: 4.27 atom: 528 50D-H N 8.558 ambi=1 { N:115.5 } atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } ::sumAvg: 4.85 atom: 543 52T-H N 7.503 ambi=1 { N:117.7 } atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } ::sumAvg: 4.785 atom: 202 21T-H N 7.23 ambi=1 { N:117.4 } atom: 236 24L-H N 8.305 ambi=1 { N:117.1 } ::sumAvg: 4.805 atom: 202 21T-H N 7.23 ambi=1 { N:117.4 } atom: 528 50D-H N 8.558 ambi=1 { N:115.5 } ::sumAvg: 4.48 atom: 528 50D-H N 8.558 ambi=1 { N:115.5 } atom: 202 21T-H N 7.23 ambi=1 { N:117.4 } ::sumAvg: 4.48 atom: 222 23L-H N 8.766 ambi=1 { N:123.9 } atom: 204 21T-HB B 4.357 ambi=1 { CB:68.46 } ::sumAvg: 4.97 atom: 236 24L-H N 8.305 ambi=1 { N:117.1 } atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } ::sumAvg: 4.815 atom: 250 25S-H N 7.226 ambi=1 { N:111.5 } atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } ::sumAvg: 4.415 atom: 211 22E-H N 8.75 ambi=1 { N:121.238 } atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } :: atom: 211 22E-H N 8.75 ambi=1 { N:121.238 } atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } ::sumAvg: 4.775 atom: 211 22E-H N 8.75 ambi=1 { N:121.238 } atom: 529 50D-HA A 4.561 ambi=1 { CA:56.1 } ::sumAvg: 4.795 atom: 236 24L-H N 8.305 ambi=1 { N:117.1 } atom: 212 22E-HA A 4.046 ambi=1 { CA:58.55 } ::sumAvg: 4.535 atom: 258 26A-H N 8.712 ambi=1 { N:126.1 } atom: 212 22E-HA A 4.046 ambi=1 { CA:58.55 } ::sumAvg: 4.13 atom: 258 26A-H N 8.712 ambi=1 { N:126.1 } atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } :: atom: 258 26A-H N 8.712 ambi=1 { N:126.1 } atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } ::sumAvg: 4.895 atom: 250 25S-H N 7.226 ambi=1 { N:111.5 } atom: 222 23L-H N 8.766 ambi=1 { N:123.9 } ::sumAvg: 4.05 atom: 222 23L-H N 8.766 ambi=1 { N:123.9 } atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } ::sumAvg: 4.735 atom: 265 27L-H N 8.05 ambi=1 { N:114.25 } atom: 223 23L-HA A 3.935 ambi=1 { CA:58.24 } ::sumAvg: 4.35 atom: 250 25S-H N 7.226 ambi=1 { N:111.5 } atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } :: atom: 250 25S-H N 7.226 ambi=1 { N:111.5 } atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } ::sumAvg: 4.825 atom: 258 26A-H N 8.712 ambi=1 { N:126.1 } atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } :: atom: 258 26A-H N 8.712 ambi=1 { N:126.1 } atom: 228 23L-HD2 D2 0.779 ambi=2 { CD2:24.24 } ::sumAvg: 4.495 atom: 236 24L-H N 8.305 ambi=1 { N:117.1 } atom: 258 26A-H N 8.712 ambi=1 { N:126.1 } ::sumAvg: 4.21 atom: 279 28K-H N 7.766 ambi=1 { N:117.7 } atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } ::sumAvg: 4.57 atom: 250 25S-H N 7.226 ambi=1 { N:111.5 } atom: 279 28K-H N 7.766 ambi=1 { N:117.7 } ::sumAvg: 4.635 atom: 265 27L-H N 8.05 ambi=1 { N:114.25 } atom: 252 25S-QB B 3.949 ambi=2 { CB:62.85 } ::sumAvg: 4.945 atom: 279 28K-H N 7.766 ambi=1 { N:117.7 } atom: 252 25S-QB B 3.949 ambi=2 { CB:62.85 } ::sumAvg: 4.795 atom: 265 27L-H N 8.05 ambi=1 { N:114.25 } atom: 280 28K-HA A 3.869 ambi=1 { CA:56.63 } ::sumAvg: 4.6 atom: 314 31Q-H N 8.982 ambi=1 { N:117.3 } atom: 297 29V-HA A 3.52 ambi=1 { CA:63.741 } ::sumAvg: 4.965 atom: 320 31Q-HE21 E2 6.77 ambi=2 { NE2:111.5 } atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } :: atom: 321 31Q-HE22 E2 7.467 ambi=2 { NE2:111.5 } atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } :: atom: 320 31Q-HE21 E2 6.77 ambi=2 { NE2:111.5 } atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } :: atom: 321 31Q-HE22 E2 7.467 ambi=2 { NE2:111.5 } atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } ::sumAvg: 4.265 atom: 314 31Q-H N 8.982 ambi=1 { N:117.3 } atom: 320 31Q-HE21 E2 6.77 ambi=2 { NE2:111.5 } :: atom: 314 31Q-H N 8.982 ambi=1 { N:117.3 } atom: 321 31Q-HE22 E2 7.467 ambi=2 { NE2:111.5 } ::sumAvg: 4.465 atom: 320 31Q-HE21 E2 6.77 ambi=2 { NE2:111.5 } atom: 314 31Q-H N 8.982 ambi=1 { N:117.3 } :: atom: 321 31Q-HE22 E2 7.467 ambi=2 { NE2:111.5 } atom: 314 31Q-H N 8.982 ambi=1 { N:117.3 } ::sumAvg: 4.465 atom: 314 31Q-H N 8.982 ambi=1 { N:117.3 } atom: 329 32A-HA A 3.738 ambi=1 { CA:55.01 } ::sumAvg: 4.75 atom: 320 31Q-HE21 E2 6.77 ambi=2 { NE2:111.5 } atom: 315 31Q-HA A 4.162 ambi=1 { CA:56.1 } :: atom: 321 31Q-HE22 E2 7.467 ambi=2 { NE2:111.5 } atom: 315 31Q-HA A 4.162 ambi=1 { CA:56.1 } ::sumAvg: 3.825 atom: 335 33E-H N 9.338 ambi=1 { N:116.8 } atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } :: atom: 335 33E-H N 9.338 ambi=1 { N:116.8 } atom: 317 31Q-HB3 B 2.203 ambi=2 { CB:27.39 } ::sumAvg: 4.195 atom: 362 35V-H N 7.33 ambi=1 { N:121.2 } atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } :: atom: 362 35V-H N 7.33 ambi=1 { N:121.2 } atom: 317 31Q-HB3 B 2.203 ambi=2 { CB:27.39 } ::sumAvg: 3.97 atom: 320 31Q-HE21 E2 6.77 ambi=2 { NE2:111.5 } atom: 348 34Y-HB2 B 3.482 ambi=2 { CB:39.81 } :: atom: 320 31Q-HE21 E2 6.77 ambi=2 { NE2:111.5 } atom: 349 34Y-HB3 B 2.858 ambi=2 { CB:39.81 } :: atom: 321 31Q-HE22 E2 7.467 ambi=2 { NE2:111.5 } atom: 348 34Y-HB2 B 3.482 ambi=2 { CB:39.81 } :: atom: 321 31Q-HE22 E2 7.467 ambi=2 { NE2:111.5 } atom: 349 34Y-HB3 B 2.858 ambi=2 { CB:39.81 } ::sumAvg: 4.46 atom: 328 32A-H N 8.029 ambi=1 { N:119.9 } atom: 337 33E-QB B 1.644 ambi=2 { CB:28.67 } ::sumAvg: 4.455 atom: 328 32A-H N 8.029 ambi=1 { N:119.9 } atom: 348 34Y-HB2 B 3.482 ambi=2 { CB:39.81 } :: atom: 328 32A-H N 8.029 ambi=1 { N:119.9 } atom: 349 34Y-HB3 B 2.858 ambi=2 { CB:39.81 } ::sumAvg: 4.915 atom: 328 32A-H N 8.029 ambi=1 { N:119.9 } atom: 362 35V-H N 7.33 ambi=1 { N:121.2 } ::sumAvg: 4.86 atom: 335 33E-H N 9.338 ambi=1 { N:116.8 } atom: 347 34Y-HA A 4.82 ambi=1 { CA:56.8 } ::sumAvg: 4.97 atom: 335 33E-H N 9.338 ambi=1 { N:116.8 } atom: 348 34Y-HB2 B 3.482 ambi=2 { CB:39.81 } :: atom: 335 33E-H N 9.338 ambi=1 { N:116.8 } atom: 349 34Y-HB3 B 2.858 ambi=2 { CB:39.81 } ::sumAvg: 4.63 atom: 335 33E-H N 9.338 ambi=1 { N:116.8 } atom: 350 34Y-QD D 7.067 ambi=3 { CD1:133 } ::sumAvg: 3.74 atom: 335 33E-H N 9.338 ambi=1 { N:116.8 } atom: 352 34Y-QE E 6.802 ambi=3 { CE1:117.86 } ::sumAvg: 4.76 atom: 335 33E-H N 9.338 ambi=1 { N:116.8 } atom: 362 35V-H N 7.33 ambi=1 { N:121.2 } ::sumAvg: 3.64 atom: 362 35V-H N 7.33 ambi=1 { N:121.2 } atom: 335 33E-H N 9.338 ambi=1 { N:116.8 } ::sumAvg: 3.64 atom: 335 33E-H N 9.338 ambi=1 { N:116.8 } atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } :: atom: 335 33E-H N 9.338 ambi=1 { N:116.8 } atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } ::sumAvg: 3.84 atom: 362 35V-H N 7.33 ambi=1 { N:121.2 } atom: 337 33E-QB B 1.644 ambi=2 { CB:28.67 } ::sumAvg: 4.98 atom: 346 34Y-H N 8.063 ambi=1 { N:116.1 } atom: 352 34Y-QE E 6.802 ambi=3 { CE1:117.86 } ::sumAvg: 4.44 atom: 346 34Y-H N 8.063 ambi=1 { N:116.1 } atom: 363 35V-HA A 4.689 ambi=1 { CA:61.55 } ::sumAvg: 4.78 atom: 362 35V-H N 7.33 ambi=1 { N:121.2 } atom: 348 34Y-HB2 B 3.482 ambi=2 { CB:39.81 } :: atom: 362 35V-H N 7.33 ambi=1 { N:121.2 } atom: 349 34Y-HB3 B 2.858 ambi=2 { CB:39.81 } ::sumAvg: 3.345 atom: 362 35V-H N 7.33 ambi=1 { N:121.2 } atom: 363 35V-HA A 4.689 ambi=1 { CA:61.55 } ::sumAvg: 2.86 atom: 362 35V-H N 7.33 ambi=1 { N:121.2 } atom: 373 36T-H N 8.879 ambi=1 { N:126.8 } ::sumAvg: 4.28 atom: 373 36T-H N 8.879 ambi=1 { N:126.8 } atom: 362 35V-H N 7.33 ambi=1 { N:121.2 } ::sumAvg: 4.28 atom: 373 36T-H N 8.879 ambi=1 { N:126.8 } atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } ::sumAvg: 3.725 atom: 373 36T-H N 8.879 ambi=1 { N:126.8 } atom: 696 65F-HZ Z 7.298 ambi=1 { CZ:129.9 } ::sumAvg: 2.99 atom: 393 38E-H N 8.934 ambi=1 { N:126.7 } atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } ::sumAvg: 4.22 atom: 455 44L-H N 8.81 ambi=1 { N:129.2 } atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } ::sumAvg: 4.75 atom: 382 37V-H N 9.616 ambi=1 { N:127.6 } atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } ::sumAvg: 2.935 atom: 382 37V-H N 9.616 ambi=1 { N:127.6 } atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } ::sumAvg: 3.8 atom: 382 37V-H N 9.616 ambi=1 { N:127.6 } atom: 393 38E-H N 8.934 ambi=1 { N:126.7 } ::sumAvg: 4.35 atom: 393 38E-H N 8.934 ambi=1 { N:126.7 } atom: 382 37V-H N 9.616 ambi=1 { N:127.6 } ::sumAvg: 4.35 atom: 382 37V-H N 9.616 ambi=1 { N:127.6 } atom: 447 43V-HG1 G1 0.885 ambi=2 { CG1:21.63 } :: atom: 382 37V-H N 9.616 ambi=1 { N:127.6 } atom: 448 43V-HG2 G2 0.972 ambi=2 { CG2:22.32 } ::sumAvg: 3.775 atom: 455 44L-H N 8.81 ambi=1 { N:129.2 } atom: 382 37V-H N 9.616 ambi=1 { N:127.6 } ::sumAvg: 4.215 atom: 382 37V-H N 9.616 ambi=1 { N:127.6 } atom: 457 44L-HB2 B 2.053 ambi=2 { CB:44.08 } :: atom: 382 37V-H N 9.616 ambi=1 { N:127.6 } atom: 458 44L-HB3 B 1.591 ambi=2 { CB:44.08 } ::sumAvg: 4.94 atom: 382 37V-H N 9.616 ambi=1 { N:127.6 } atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } ::sumAvg: 4.975 atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } ::sumAvg: 4.795 atom: 658 63L-H N 8.996 ambi=1 { N:125 } atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } ::sumAvg: 4.265 atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } ::sumAvg: 4.605 atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } :: atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } ::sumAvg: 4.94 atom: 640 62F-H N 9.075 ambi=1 { N:122 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } :: atom: 640 62F-H N 9.075 ambi=1 { N:122 } atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } ::sumAvg: 4.5 atom: 658 63L-H N 8.996 ambi=1 { N:125 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } :: atom: 658 63L-H N 8.996 ambi=1 { N:125 } atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } ::sumAvg: 3.67 atom: 393 38E-H N 8.934 ambi=1 { N:126.7 } atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } ::sumAvg: 4.54 atom: 393 38E-H N 8.934 ambi=1 { N:126.7 } atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } ::sumAvg: 4.61 atom: 393 38E-H N 8.934 ambi=1 { N:126.7 } atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } :: atom: 393 38E-H N 8.934 ambi=1 { N:126.7 } atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } ::sumAvg: 4.875 atom: 393 38E-H N 8.934 ambi=1 { N:126.7 } atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } ::sumAvg: 4.715 atom: 393 38E-H N 8.934 ambi=1 { N:126.7 } atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } :: atom: 393 38E-H N 8.934 ambi=1 { N:126.7 } atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } ::sumAvg: 4.33 atom: 404 39L-H N 9.004 ambi=1 { N:128.7 } atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } ::sumAvg: 4.87 atom: 420 40N-HD21 D2 7.317 ambi=2 { ND2:116 } atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } :: atom: 421 40N-HD22 D2 7.91 ambi=2 { ND2:116 } atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } ::sumAvg: 4.705 atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } ::sumAvg: 4.705 atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } ::sumAvg: 3.695 atom: 420 40N-HD21 D2 7.317 ambi=2 { ND2:116 } atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } :: atom: 421 40N-HD22 D2 7.91 ambi=2 { ND2:116 } atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } :: atom: 420 40N-HD21 D2 7.317 ambi=2 { ND2:116 } atom: 407 39L-HB3 B 0.9298 ambi=2 { CB:45.64 } :: atom: 421 40N-HD22 D2 7.91 ambi=2 { ND2:116 } atom: 407 39L-HB3 B 0.9298 ambi=2 { CB:45.64 } ::sumAvg: 4.035 atom: 427 41G-H N 8.913 ambi=1 { N:102.811 } atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } :: atom: 427 41G-H N 8.913 ambi=1 { N:102.811 } atom: 407 39L-HB3 B 0.9298 ambi=2 { CB:45.64 } ::sumAvg: 4.995 atom: 433 42E-H N 7.716 ambi=1 { N:120.731 } atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } :: atom: 433 42E-H N 7.716 ambi=1 { N:120.731 } atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } ::sumAvg: 4.365 atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } :: atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } ::sumAvg: 4.69 atom: 416 40N-H N 10.21 ambi=1 { N:128.749 } atom: 420 40N-HD21 D2 7.317 ambi=2 { ND2:116 } :: atom: 416 40N-H N 10.21 ambi=1 { N:128.749 } atom: 421 40N-HD22 D2 7.91 ambi=2 { ND2:116 } ::sumAvg: 3.725 atom: 416 40N-H N 10.21 ambi=1 { N:128.749 } atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } ::sumAvg: 4.67 atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } atom: 416 40N-H N 10.21 ambi=1 { N:128.749 } ::sumAvg: 4.735 atom: 416 40N-H N 10.21 ambi=1 { N:128.749 } atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } ::sumAvg: 4.19 atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } atom: 416 40N-H N 10.21 ambi=1 { N:128.749 } ::sumAvg: 4.125 atom: 427 41G-H N 8.913 ambi=1 { N:102.811 } atom: 418 40N-HB2 B 2.993 ambi=2 { CB:37.28 } :: atom: 427 41G-H N 8.913 ambi=1 { N:102.811 } atom: 419 40N-HB3 B 2.907 ambi=2 { CB:37.28 } ::sumAvg: 4.045 atom: 433 42E-H N 7.716 ambi=1 { N:120.731 } atom: 418 40N-HB2 B 2.993 ambi=2 { CB:37.28 } :: atom: 433 42E-H N 7.716 ambi=1 { N:120.731 } atom: 419 40N-HB3 B 2.907 ambi=2 { CB:37.28 } ::sumAvg: 4.22 atom: 420 40N-HD21 D2 7.317 ambi=2 { ND2:116 } atom: 611 59A-H N 8.326 ambi=1 { N:121.1 } :: atom: 421 40N-HD22 D2 7.91 ambi=2 { ND2:116 } atom: 611 59A-H N 8.326 ambi=1 { N:121.1 } ::sumAvg: 2.86 atom: 427 41G-H N 8.913 ambi=1 { N:102.811 } atom: 434 42E-HA A 4.655 ambi=1 { CA:54.19 } ::sumAvg: 4.945 atom: 427 41G-H N 8.913 ambi=1 { N:102.811 } atom: 435 42E-HB2 B 2.066 ambi=2 { CB:31.77 } :: atom: 427 41G-H N 8.913 ambi=1 { N:102.811 } atom: 436 42E-HB3 B 1.906 ambi=2 { CB:31.77 } ::sumAvg: 4.8 atom: 433 42E-H N 7.716 ambi=1 { N:120.731 } atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } ::sumAvg: 4.87 atom: 433 42E-H N 7.716 ambi=1 { N:120.731 } atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } ::sumAvg: 4.575 atom: 444 43V-H N 8.872 ambi=1 { N:126.8 } atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } ::sumAvg: 4.155 atom: 455 44L-H N 8.81 ambi=1 { N:129.2 } atom: 446 43V-HB B 1.965 ambi=1 { CB:31.5 } ::sumAvg: 4.11 atom: 455 44L-H N 8.81 ambi=1 { N:129.2 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } ::sumAvg: 3.96 atom: 543 52T-H N 7.503 ambi=1 { N:117.7 } atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } ::sumAvg: 4.75 atom: 469 45E-H N 8.742 ambi=1 { N:122.5 } atom: 516 49F-QD D 7.046 ambi=3 { CD1:129.618 } ::sumAvg: 4.98 atom: 469 45E-H N 8.742 ambi=1 { N:122.5 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } ::sumAvg: 4.615 atom: 505 48A-H N 8.011 ambi=1 { N:120.2 } atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } ::sumAvg: 4.545 atom: 505 48A-H N 8.011 ambi=1 { N:120.2 } atom: 480 46R-H N 8.674 ambi=1 { N:124.6 } ::sumAvg: 4.13 atom: 480 46R-H N 8.674 ambi=1 { N:124.6 } atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } ::sumAvg: 4.92 atom: 480 46R-H N 8.674 ambi=1 { N:124.6 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } ::sumAvg: 4.52 atom: 505 48A-H N 8.011 ambi=1 { N:120.2 } atom: 484 46R-QG G 1.214 ambi=2 { CG:27.01 } ::sumAvg: 4.9 atom: 494 47E-H N 9.01 ambi=1 { N:117.3 } atom: 486 46R-QD D 2.843 ambi=2 { CD:42.47 } ::sumAvg: 4.63 atom: 494 47E-H N 9.01 ambi=1 { N:117.3 } atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } ::sumAvg: 3.985 atom: 494 47E-H N 9.01 ambi=1 { N:117.3 } atom: 516 49F-QD D 7.046 ambi=3 { CD1:129.618 } ::sumAvg: 4.965 atom: 528 50D-H N 8.558 ambi=1 { N:115.5 } atom: 495 47E-HA A 4.008 ambi=1 { CA:58.72 } ::sumAvg: 4.475 atom: 505 48A-H N 8.011 ambi=1 { N:120.2 } atom: 513 49F-HA A 4.305 ambi=1 { CA:59.969 } ::sumAvg: 4.915 atom: 505 48A-H N 8.011 ambi=1 { N:120.2 } atom: 514 49F-HB2 B 3.327 ambi=1 { CB:36.82 } ::sumAvg: 4.765 atom: 505 48A-H N 8.011 ambi=1 { N:120.2 } atom: 528 50D-H N 8.558 ambi=1 { N:115.5 } ::sumAvg: 4.765 atom: 543 52T-H N 7.503 ambi=1 { N:117.7 } atom: 506 48A-HA A 4.749 ambi=1 { CA:51.78 } ::sumAvg: 4.54 atom: 536 51A-H N 7.539 ambi=1 { N:119.5 } atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } ::sumAvg: 4.425 atom: 543 52T-H N 7.503 ambi=1 { N:117.7 } atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } ::sumAvg: 4.49 atom: 512 49F-H N 8.002 ambi=1 { N:123.801 } atom: 530 50D-QB B 2.7 ambi=2 { CB:40.35 } ::sumAvg: 4.715 atom: 512 49F-H N 8.002 ambi=1 { N:123.801 } atom: 538 51A-HB B 1.475 ambi=1 { CB:20.28 } ::sumAvg: 4.98 atom: 543 52T-H N 7.503 ambi=1 { N:117.7 } atom: 513 49F-HA A 4.305 ambi=1 { CA:59.969 } ::sumAvg: 3.86 atom: 536 51A-H N 7.539 ambi=1 { N:119.5 } atom: 529 50D-HA A 4.561 ambi=1 { CA:56.1 } ::sumAvg: 3.505 atom: 543 52T-H N 7.503 ambi=1 { N:117.7 } atom: 529 50D-HA A 4.561 ambi=1 { CA:56.1 } ::sumAvg: 4.37 atom: 552 53T-H N 8.354 ambi=1 { N:120.7 } atom: 543 52T-H N 7.503 ambi=1 { N:117.7 } ::sumAvg: 4.33 atom: 561 54V-H N 9.223 ambi=1 { N:126.2 } atom: 546 52T-HG2 G2 1.149 ambi=1 { CG2:21.18 } ::sumAvg: 4.295 atom: 552 53T-H N 8.354 ambi=1 { N:120.7 } atom: 555 53T-HG2 G2 1.083 ambi=1 { CG2:22.27 } ::sumAvg: 3.13 atom: 561 54V-H N 9.223 ambi=1 { N:126.2 } atom: 552 53T-H N 8.354 ambi=1 { N:120.7 } ::sumAvg: 4.4 atom: 572 55K-H N 9.074 ambi=1 { N:124.7 } atom: 578 55K-QD D 1.64 ambi=2 { CD:29.005 } ::sumAvg: 3.335 atom: 572 55K-H N 9.074 ambi=1 { N:124.7 } atom: 580 55K-QE E 3.04 ambi=2 { CE:42.297 } ::sumAvg: 4.46 atom: 589 56D-H N 8.111 ambi=1 { N:116.7 } atom: 578 55K-QD D 1.64 ambi=2 { CD:29.005 } ::sumAvg: 4.36 atom: 589 56D-H N 8.111 ambi=1 { N:116.7 } atom: 580 55K-QE E 3.04 ambi=2 { CE:42.297 } ::sumAvg: 4.38 atom: 597 57G-H N 9.33 ambi=1 { N:113.9 } atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } ::sumAvg: 4.925 atom: 603 58D-H N 8.104 ambi=1 { N:122.6 } atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } ::sumAvg: 4.975 atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } :: atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } ::sumAvg: 4.515 atom: 611 59A-H N 8.326 ambi=1 { N:121.1 } atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } ::sumAvg: 4.725 atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } ::sumAvg: 4.25 atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } ::sumAvg: 2.86 atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } atom: 620 60V-HB B 1.875 ambi=1 { CB:33.64 } ::sumAvg: 3.235 atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } ::sumAvg: 2.895 atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } atom: 631 61E-HB2 B 1.733 ambi=2 { CB:32.477 } :: atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } atom: 632 61E-HB3 B 1.969 ambi=2 { CB:32.477 } ::sumAvg: 2.405 atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } atom: 633 61E-HG2 G 2.02 ambi=2 { CG:35.798 } :: atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } atom: 634 61E-HG3 G 2.196 ambi=2 { CG:35.798 } ::sumAvg: 3.34 atom: 658 63L-H N 8.996 ambi=1 { N:125 } atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } ::sumAvg: 4.04 atom: 688 65F-H N 8.688 ambi=1 { N:122.1 } atom: 659 63L-HA A 4.643 ambi=1 { CA:53.63 } ::sumAvg: 3.86 atom: 688 65F-H N 8.688 ambi=1 { N:122.1 } atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } :: atom: 688 65F-H N 8.688 ambi=1 { N:122.1 } atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } ::sumAvg: 3.72 atom: 688 65F-H N 8.688 ambi=1 { N:122.1 } atom: 662 63L-HG G 1.417 ambi=1 { CG:27.27 } ::sumAvg: 4.685 atom: 688 65F-H N 8.688 ambi=1 { N:122.1 } atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } :: atom: 688 65F-H N 8.688 ambi=1 { N:122.1 } atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } ::sumAvg: 4.64 atom: 672 64Y-H N 8.669 ambi=1 { N:120.1 } atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } ::sumAvg: 4.595 atom: 706 66M-H N 8.611 ambi=1 { N:121.7 } atom: 718 67G-QA A 3.928 ambi=2 { CA:45.359 } ::sumAvg: 4.575 atom: 723 68G-H N 8.353 ambi=1 { N:108.6 } atom: 707 66M-HA A 4.537 ambi=1 { CA:55.37 } ::sumAvg: 4.56 atom: 723 68G-H N 8.353 ambi=1 { N:108.6 } atom: 708 66M-HB2 B 2.084 ambi=2 { CB:32.71 } :: atom: 723 68G-H N 8.353 ambi=1 { N:108.6 } atom: 709 66M-HB3 B 1.943 ambi=2 { CB:32.71 } ::sumAvg: 4.645 atom: 717 67G-H N 8.213 ambi=1 { N:109.6 } atom: 710 66M-HG2 G 2.504 ambi=2 { CG:32.13 } :: atom: 717 67G-H N 8.213 ambi=1 { N:109.6 } atom: 711 66M-HG3 G 2.42 ambi=2 { CG:32.13 } ::sumAvg: 3.535 atom: 752 71L-H N 8.253 ambi=1 { N:122.905 } atom: 730 69G-QA A 3.953 ambi=2 { CA:45.242 } ::sumAvg: 4.95 atom: 752 71L-H N 8.253 ambi=1 { N:122.905 } atom: 739 70K-QG G 1.383 ambi=2 { CG:24.78 } ::sumAvg: 3.54 atom: 752 71L-H N 8.253 ambi=1 { N:122.905 } atom: 757 71L-HD1 D1 0.813 ambi=2 { CD1:24.89 } :: atom: 752 71L-H N 8.253 ambi=1 { N:122.905 } atom: 758 71L-HD2 D2 0.761 ambi=2 { CD2:23.59 } ::sumAvg: 3.025 atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } atom: 753 71L-HA A 4.285 ambi=1 { CA:55.12 } ::sumAvg: 4.915 atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } atom: 754 71L-HB2 B 1.534 ambi=2 { CB:42.236 } :: atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } atom: 755 71L-HB3 B 1.45 ambi=2 { CB:42.236 } ::sumAvg: 4.96 atom: 766 72E-H N 8.343 ambi=1 { N:121.5 } atom: 757 71L-HD1 D1 0.813 ambi=2 { CD1:24.89 } :: atom: 766 72E-H N 8.343 ambi=1 { N:121.5 } atom: 758 71L-HD2 D2 0.761 ambi=2 { CD2:23.59 } ::sumAvg: 3.445 atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } atom: 757 71L-HD1 D1 0.813 ambi=2 { CD1:24.89 } :: atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } atom: 758 71L-HD2 D2 0.761 ambi=2 { CD2:23.59 } ::sumAvg: 4.965 atom: 766 72E-H N 8.343 ambi=1 { N:121.5 } atom: 770 72E-HG2 G 2.18 ambi=2 { CG:36.12 } :: atom: 766 72E-H N 8.343 ambi=1 { N:121.5 } atom: 771 72E-HG3 G 2.14 ambi=2 { CG:36.12 } ::sumAvg: 3.16 atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } atom: 767 72E-HA A 4.238 ambi=1 { CA:56.76 } ::sumAvg: 2.855 atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } atom: 768 72E-HB2 B 1.92 ambi=2 { CB:30.619 } :: atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } atom: 769 72E-HB3 B 1.84 ambi=2 { CB:30.619 } ::sumAvg: 3.13 atom: 785 74H-H N 8.213 ambi=1 { N:125.387 } atom: 768 72E-HB2 B 1.92 ambi=2 { CB:30.619 } :: atom: 785 74H-H N 8.213 ambi=1 { N:125.387 } atom: 769 72E-HB3 B 1.84 ambi=2 { CB:30.619 } ::sumAvg: 4.885 atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } atom: 770 72E-HG2 G 2.18 ambi=2 { CG:36.12 } :: atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } atom: 771 72E-HG3 G 2.14 ambi=2 { CG:36.12 } ::sumAvg: 3.73 atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } atom: 778 73H-HA A 4.593 ambi=1 { CA:55.777 } ::sumAvg: 2.605 atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } atom: 779 73H-HB2 B 3.003 ambi=2 { CB:30.08 } :: atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } atom: 780 73H-HB3 B 3.076 ambi=2 { CB:30.08 } ::sumAvg: 2.965 atom: 785 74H-H N 8.213 ambi=1 { N:125.387 } atom: 778 73H-HA A 4.593 ambi=1 { CA:55.777 } ::sumAvg: 2.86 atom: 785 74H-H N 8.213 ambi=1 { N:125.387 } atom: 779 73H-HB2 B 3.003 ambi=2 { CB:30.08 } :: atom: 785 74H-H N 8.213 ambi=1 { N:125.387 } atom: 780 73H-HB3 B 3.076 ambi=2 { CB:30.08 } ::sumAvg: 3.165 # Missing interactons for c_aro.peaks atom: 644 62F-QD D 7.058 ambi=3 { CD1:131.039 } atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } ::sumAvg: 3.42 atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } ::sumAvg: 4.86 atom: 644 62F-QD D 7.058 ambi=3 { CD1:131.039 } atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } :: atom: 644 62F-QD D 7.058 ambi=3 { CD1:131.039 } atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } ::sumAvg: 4.315 atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } ::sumAvg: 4.19 atom: 648 62F-HZ Z 6.78 ambi=1 { CZ:128.1 } atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } ::sumAvg: 4.915 atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } atom: 238 24L-HB2 B 2.019 ambi=2 { CB:41.32 } :: atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } atom: 239 24L-HB3 B 1.17 ambi=2 { CB:41.32 } ::sumAvg: 4.855 atom: 648 62F-HZ Z 6.78 ambi=1 { CZ:128.1 } atom: 238 24L-HB2 B 2.019 ambi=2 { CB:41.32 } :: atom: 648 62F-HZ Z 6.78 ambi=1 { CZ:128.1 } atom: 239 24L-HB3 B 1.17 ambi=2 { CB:41.32 } ::sumAvg: 4.885 atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } atom: 240 24L-HG G 1.864 ambi=1 { CG:26.61 } ::sumAvg: 4.955 atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } atom: 240 24L-HG G 1.864 ambi=1 { CG:26.61 } ::sumAvg: 4.89 atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } atom: 267 27L-QB B 1.655 ambi=2 { CB:42.021 } ::sumAvg: 4.405 atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } atom: 298 29V-HB B 1.519 ambi=1 { CB:31.84 } ::sumAvg: 3.855 atom: 648 62F-HZ Z 6.78 ambi=1 { CZ:128.1 } atom: 298 29V-HB B 1.519 ambi=1 { CB:31.84 } ::sumAvg: 3.98 atom: 516 49F-QD D 7.046 ambi=3 { CD1:129.618 } atom: 330 32A-HB B 1.348 ambi=1 { CB:18.647 } ::sumAvg: 4.955 atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } atom: 330 32A-HB B 1.348 ambi=1 { CB:18.647 } ::sumAvg: 4.785 atom: 350 34Y-QD D 7.067 ambi=3 { CD1:133 } atom: 335 33E-H N 9.338 ambi=1 { N:116.8 } ::sumAvg: 3.74 atom: 352 34Y-QE E 6.802 ambi=3 { CE1:117.86 } atom: 335 33E-H N 9.338 ambi=1 { N:116.8 } ::sumAvg: 4.76 atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } atom: 336 33E-HA A 4.037 ambi=1 { CA:58.28 } ::sumAvg: 4.63 atom: 352 34Y-QE E 6.802 ambi=3 { CE1:117.86 } atom: 339 33E-HG2 G 1.941 ambi=2 { CG:35.81 } :: atom: 352 34Y-QE E 6.802 ambi=3 { CE1:117.86 } atom: 340 33E-HG3 G 1.773 ambi=2 { CG:35.81 } ::sumAvg: 3.91 atom: 352 34Y-QE E 6.802 ambi=3 { CE1:117.86 } atom: 347 34Y-HA A 4.82 ambi=1 { CA:56.8 } ::sumAvg: 4.655 atom: 694 65F-QE E 7.046 ambi=3 { CE1:132.978 } atom: 363 35V-HA A 4.689 ambi=1 { CA:61.55 } ::sumAvg: 3.35 atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } atom: 364 35V-HB B 1.879 ambi=1 { CB:33.65 } ::sumAvg: 4.615 atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } atom: 364 35V-HB B 1.879 ambi=1 { CB:33.65 } ::sumAvg: 4.385 atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } atom: 373 36T-H N 8.879 ambi=1 { N:126.8 } ::sumAvg: 3.725 atom: 694 65F-QE E 7.046 ambi=3 { CE1:132.978 } atom: 373 36T-H N 8.879 ambi=1 { N:126.8 } ::sumAvg: 2.61 atom: 696 65F-HZ Z 7.298 ambi=1 { CZ:129.9 } atom: 373 36T-H N 8.879 ambi=1 { N:126.8 } ::sumAvg: 2.99 atom: 694 65F-QE E 7.046 ambi=3 { CE1:132.978 } atom: 374 36T-HA A 4.696 ambi=1 { CA:62.3 } ::sumAvg: 4.435 atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } ::sumAvg: 3.785 atom: 694 65F-QE E 7.046 ambi=3 { CE1:132.978 } atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } ::sumAvg: 2.79 atom: 696 65F-HZ Z 7.298 ambi=1 { CZ:129.9 } atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } ::sumAvg: 3.38 atom: 694 65F-QE E 7.046 ambi=3 { CE1:132.978 } atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } ::sumAvg: 3.98 atom: 696 65F-HZ Z 7.298 ambi=1 { CZ:129.9 } atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } ::sumAvg: 4.745 atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } atom: 382 37V-H N 9.616 ambi=1 { N:127.6 } ::sumAvg: 3.915 atom: 644 62F-QD D 7.058 ambi=3 { CD1:131.039 } atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } ::sumAvg: 4.945 atom: 644 62F-QD D 7.058 ambi=3 { CD1:131.039 } atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } ::sumAvg: 4.5 atom: 694 65F-QE E 7.046 ambi=3 { CE1:132.978 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } :: atom: 694 65F-QE E 7.046 ambi=3 { CE1:132.978 } atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } ::sumAvg: 4.625 atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } atom: 455 44L-H N 8.81 ambi=1 { N:129.2 } ::sumAvg: 3.96 atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } atom: 456 44L-HA A 4.656 ambi=1 { CA:53.75 } ::sumAvg: 4.995 atom: 516 49F-QD D 7.046 ambi=3 { CD1:129.618 } atom: 469 45E-H N 8.742 ambi=1 { N:122.5 } ::sumAvg: 4.98 atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } ::sumAvg: 4.63 atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } atom: 484 46R-QG G 1.214 ambi=2 { CG:27.01 } ::sumAvg: 3.95 atom: 516 49F-QD D 7.046 ambi=3 { CD1:129.618 } atom: 494 47E-H N 9.01 ambi=1 { N:117.3 } ::sumAvg: 4.965 atom: 516 49F-QD D 7.046 ambi=3 { CD1:129.618 } atom: 495 47E-HA A 4.008 ambi=1 { CA:58.72 } ::sumAvg: 4.55 atom: 516 49F-QD D 7.046 ambi=3 { CD1:129.618 } atom: 545 52T-HB B 4.046 ambi=1 { CB:69.91 } ::sumAvg: 4.895 atom: 644 62F-QD D 7.058 ambi=3 { CD1:131.039 } atom: 620 60V-HB B 1.875 ambi=1 { CB:33.64 } ::sumAvg: 4.865 atom: 644 62F-QD D 7.058 ambi=3 { CD1:131.039 } atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } ::sumAvg: 4.955 atom: 644 62F-QD D 7.058 ambi=3 { CD1:131.039 } atom: 640 62F-H N 9.075 ambi=1 { N:122 } ::sumAvg: 3.39 atom: 644 62F-QD D 7.058 ambi=3 { CD1:131.039 } atom: 658 63L-H N 8.996 ambi=1 { N:125 } ::sumAvg: 3.875 atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } atom: 658 63L-H N 8.996 ambi=1 { N:125 } ::sumAvg: 4.04 atom: 694 65F-QE E 7.046 ambi=3 { CE1:132.978 } atom: 658 63L-H N 8.996 ambi=1 { N:125 } ::sumAvg: 4.52 atom: 676 64Y-QD D 7.038 ambi=3 { CD1:133.21 } atom: 673 64Y-HA A 4.758 ambi=1 { CA:57.46 } ::sumAvg: 2.905 atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } atom: 674 64Y-HB2 B 2.884 ambi=2 { CB:39.69 } :: atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } atom: 675 64Y-HB3 B 2.7 ambi=2 { CB:39.69 } ::sumAvg: 4.475 atom: 694 65F-QE E 7.046 ambi=3 { CE1:132.978 } atom: 690 65F-HB2 B 3.166 ambi=2 { CB:39.34 } :: atom: 694 65F-QE E 7.046 ambi=3 { CE1:132.978 } atom: 691 65F-HB3 B 3.012 ambi=2 { CB:39.34 } ::sumAvg: 4.385 atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } atom: 706 66M-H N 8.611 ambi=1 { N:121.7 } ::sumAvg: 4.01 # Missing interactons for c_ali.peaks atom: 1 1M-HA A 4.344 ambi=1 { CA:55.19 } atom: 4 1M-HG2 G 2.203 ambi=2 { CG:30.15 } :: atom: 1 1M-HA A 4.344 ambi=1 { CA:55.19 } atom: 5 1M-HG3 G 2.347 ambi=2 { CG:30.15 } ::sumAvg: 3.71 atom: 1 1M-HA A 4.344 ambi=1 { CA:55.19 } atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } ::sumAvg: 4.39 atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } atom: 1 1M-HA A 4.344 ambi=1 { CA:55.19 } ::sumAvg: 4.39 atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } atom: 1 1M-HA A 4.344 ambi=1 { CA:55.19 } ::sumAvg: 4.5 atom: 1 1M-HA A 4.344 ambi=1 { CA:55.19 } atom: 13 2N-HD21 D2 6.936 ambi=2 { ND2:115.6 } :: atom: 1 1M-HA A 4.344 ambi=1 { CA:55.19 } atom: 14 2N-HD22 D2 7.945 ambi=2 { ND2:115.6 } ::sumAvg: 4.865 atom: 1 1M-HA A 4.344 ambi=1 { CA:55.19 } atom: 118 12V-HG1 G1 0.792 ambi=2 { CG1:21.346 } :: atom: 1 1M-HA A 4.344 ambi=1 { CA:55.19 } atom: 119 12V-HG2 G2 0.695 ambi=2 { CG2:20.36 } ::sumAvg: 4.61 atom: 118 12V-HG1 G1 0.792 ambi=2 { CG1:21.346 } atom: 1 1M-HA A 4.344 ambi=1 { CA:55.19 } :: atom: 119 12V-HG2 G2 0.695 ambi=2 { CG2:20.36 } atom: 1 1M-HA A 4.344 ambi=1 { CA:55.19 } ::sumAvg: 4.61 atom: 2 1M-HB2 B 2.273 ambi=2 { CB:33.84 } atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } :: atom: 3 1M-HB3 B 2.074 ambi=2 { CB:33.84 } atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } ::sumAvg: 4.805 atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } atom: 2 1M-HB2 B 2.273 ambi=2 { CB:33.84 } :: atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } atom: 3 1M-HB3 B 2.074 ambi=2 { CB:33.84 } ::sumAvg: 4.805 atom: 2 1M-HB2 B 2.273 ambi=2 { CB:33.84 } atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } :: atom: 3 1M-HB3 B 2.074 ambi=2 { CB:33.84 } atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } ::sumAvg: 4.715 atom: 2 1M-HB2 B 2.273 ambi=2 { CB:33.84 } atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } :: atom: 3 1M-HB3 B 2.074 ambi=2 { CB:33.84 } atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } ::sumAvg: 4.77 atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } atom: 2 1M-HB2 B 2.273 ambi=2 { CB:33.84 } :: atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } atom: 3 1M-HB3 B 2.074 ambi=2 { CB:33.84 } ::sumAvg: 4.77 atom: 2 1M-HB2 B 2.273 ambi=2 { CB:33.84 } atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } :: atom: 3 1M-HB3 B 2.074 ambi=2 { CB:33.84 } atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } ::sumAvg: 4.34 atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } atom: 2 1M-HB2 B 2.273 ambi=2 { CB:33.84 } :: atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } atom: 3 1M-HB3 B 2.074 ambi=2 { CB:33.84 } ::sumAvg: 4.34 atom: 118 12V-HG1 G1 0.792 ambi=2 { CG1:21.346 } atom: 2 1M-HB2 B 2.273 ambi=2 { CB:33.84 } :: atom: 119 12V-HG2 G2 0.695 ambi=2 { CG2:20.36 } atom: 2 1M-HB2 B 2.273 ambi=2 { CB:33.84 } :: atom: 118 12V-HG1 G1 0.792 ambi=2 { CG1:21.346 } atom: 3 1M-HB3 B 2.074 ambi=2 { CB:33.84 } :: atom: 119 12V-HG2 G2 0.695 ambi=2 { CG2:20.36 } atom: 3 1M-HB3 B 2.074 ambi=2 { CB:33.84 } ::sumAvg: 4.34 atom: 2 1M-HB2 B 2.273 ambi=2 { CB:33.84 } atom: 158 17S-H N 7.587 ambi=1 { N:111.6 } :: atom: 3 1M-HB3 B 2.074 ambi=2 { CB:33.84 } atom: 158 17S-H N 7.587 ambi=1 { N:111.6 } ::sumAvg: 4.575 atom: 573 55K-HA A 4.847 ambi=1 { CA:54.265 } atom: 2 1M-HB2 B 2.273 ambi=2 { CB:33.84 } :: atom: 573 55K-HA A 4.847 ambi=1 { CA:54.265 } atom: 3 1M-HB3 B 2.074 ambi=2 { CB:33.84 } ::sumAvg: 4.08 atom: 2 1M-HB2 B 2.273 ambi=2 { CB:33.84 } atom: 574 55K-HB2 B 1.864 ambi=2 { CB:36.111 } :: atom: 2 1M-HB2 B 2.273 ambi=2 { CB:33.84 } atom: 575 55K-HB3 B 1.702 ambi=2 { CB:36.111 } ::sumAvg: 4.965 atom: 574 55K-HB2 B 1.864 ambi=2 { CB:36.111 } atom: 2 1M-HB2 B 2.273 ambi=2 { CB:33.84 } :: atom: 575 55K-HB3 B 1.702 ambi=2 { CB:36.111 } atom: 2 1M-HB2 B 2.273 ambi=2 { CB:33.84 } ::sumAvg: 4.965 atom: 2 1M-HB2 B 2.273 ambi=2 { CB:33.84 } atom: 597 57G-H N 9.33 ambi=1 { N:113.9 } :: atom: 3 1M-HB3 B 2.074 ambi=2 { CB:33.84 } atom: 597 57G-H N 9.33 ambi=1 { N:113.9 } ::sumAvg: 3.9 atom: 4 1M-HG2 G 2.203 ambi=2 { CG:30.15 } atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } :: atom: 5 1M-HG3 G 2.347 ambi=2 { CG:30.15 } atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } ::sumAvg: 4.395 atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } atom: 4 1M-HG2 G 2.203 ambi=2 { CG:30.15 } :: atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } atom: 5 1M-HG3 G 2.347 ambi=2 { CG:30.15 } ::sumAvg: 4.395 atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } atom: 4 1M-HG2 G 2.203 ambi=2 { CG:30.15 } :: atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } atom: 4 1M-HG2 G 2.203 ambi=2 { CG:30.15 } :: atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } atom: 5 1M-HG3 G 2.347 ambi=2 { CG:30.15 } :: atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } atom: 5 1M-HG3 G 2.347 ambi=2 { CG:30.15 } ::sumAvg: 4.675 atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 4 1M-HG2 G 2.203 ambi=2 { CG:30.15 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 4 1M-HG2 G 2.203 ambi=2 { CG:30.15 } :: atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 5 1M-HG3 G 2.347 ambi=2 { CG:30.15 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 5 1M-HG3 G 2.347 ambi=2 { CG:30.15 } ::sumAvg: 2.45 atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } atom: 4 1M-HG2 G 2.203 ambi=2 { CG:30.15 } :: atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } atom: 5 1M-HG3 G 2.347 ambi=2 { CG:30.15 } ::sumAvg: 3.13 atom: 4 1M-HG2 G 2.203 ambi=2 { CG:30.15 } atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } :: atom: 4 1M-HG2 G 2.203 ambi=2 { CG:30.15 } atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } :: atom: 5 1M-HG3 G 2.347 ambi=2 { CG:30.15 } atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } :: atom: 5 1M-HG3 G 2.347 ambi=2 { CG:30.15 } atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } ::sumAvg: 4.995 atom: 573 55K-HA A 4.847 ambi=1 { CA:54.265 } atom: 4 1M-HG2 G 2.203 ambi=2 { CG:30.15 } :: atom: 573 55K-HA A 4.847 ambi=1 { CA:54.265 } atom: 5 1M-HG3 G 2.347 ambi=2 { CG:30.15 } ::sumAvg: 4.315 atom: 4 1M-HG2 G 2.203 ambi=2 { CG:30.15 } atom: 589 56D-H N 8.111 ambi=1 { N:116.7 } :: atom: 5 1M-HG3 G 2.347 ambi=2 { CG:30.15 } atom: 589 56D-H N 8.111 ambi=1 { N:116.7 } ::sumAvg: 4.72 atom: 4 1M-HG2 G 2.203 ambi=2 { CG:30.15 } atom: 590 56D-HA A 4.553 ambi=1 { CA:56.04 } :: atom: 5 1M-HG3 G 2.347 ambi=2 { CG:30.15 } atom: 590 56D-HA A 4.553 ambi=1 { CA:56.04 } ::sumAvg: 3.76 atom: 4 1M-HG2 G 2.203 ambi=2 { CG:30.15 } atom: 591 56D-HB2 B 2.704 ambi=2 { CB:43.07 } :: atom: 4 1M-HG2 G 2.203 ambi=2 { CG:30.15 } atom: 592 56D-HB3 B 2.633 ambi=2 { CB:43.07 } ::sumAvg: 4.97 atom: 591 56D-HB2 B 2.704 ambi=2 { CB:43.07 } atom: 4 1M-HG2 G 2.203 ambi=2 { CG:30.15 } :: atom: 592 56D-HB3 B 2.633 ambi=2 { CB:43.07 } atom: 4 1M-HG2 G 2.203 ambi=2 { CG:30.15 } ::sumAvg: 4.97 atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 9 2N-H N 9.645 ambi=1 { N:125.3 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 9 2N-H N 9.645 ambi=1 { N:125.3 } ::sumAvg: 4.27 atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } atom: 9 2N-H N 9.645 ambi=1 { N:125.3 } ::sumAvg: 4.71 atom: 109 11T-HG2 G2 1.148 ambi=1 { CG2:21.579 } atom: 9 2N-H N 9.645 ambi=1 { N:125.3 } ::sumAvg: 4.87 atom: 118 12V-HG1 G1 0.792 ambi=2 { CG1:21.346 } atom: 9 2N-H N 9.645 ambi=1 { N:125.3 } :: atom: 119 12V-HG2 G2 0.695 ambi=2 { CG2:20.36 } atom: 9 2N-H N 9.645 ambi=1 { N:125.3 } ::sumAvg: 4.985 atom: 590 56D-HA A 4.553 ambi=1 { CA:56.04 } atom: 9 2N-H N 9.645 ambi=1 { N:125.3 } ::sumAvg: 2.65 atom: 598 57G-HA2 A 4.343 ambi=2 { CA:44.869 } atom: 9 2N-H N 9.645 ambi=1 { N:125.3 } :: atom: 599 57G-HA3 A 3.652 ambi=2 { CA:44.869 } atom: 9 2N-H N 9.645 ambi=1 { N:125.3 } ::sumAvg: 4.99 atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } atom: 13 2N-HD21 D2 6.936 ambi=2 { ND2:115.6 } :: atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } atom: 14 2N-HD22 D2 7.945 ambi=2 { ND2:115.6 } ::sumAvg: 3.645 atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } :: atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } ::sumAvg: 4.665 atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } :: atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } ::sumAvg: 4.665 atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } atom: 20 3L-HA A 4.949 ambi=1 { CA:54.223 } ::sumAvg: 4.435 atom: 20 3L-HA A 4.949 ambi=1 { CA:54.223 } atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } ::sumAvg: 4.435 atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } ::sumAvg: 3.775 atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } ::sumAvg: 4.85 atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } ::sumAvg: 4.85 atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } atom: 98 10S-H N 8.97 ambi=1 { N:120.3 } ::sumAvg: 4.975 atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } atom: 108 11T-HB B 3.904 ambi=1 { CB:71.95 } ::sumAvg: 3.685 atom: 108 11T-HB B 3.904 ambi=1 { CB:71.95 } atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } ::sumAvg: 3.685 atom: 109 11T-HG2 G2 1.148 ambi=1 { CG2:21.579 } atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } ::sumAvg: 3.255 atom: 118 12V-HG1 G1 0.792 ambi=2 { CG1:21.346 } atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } :: atom: 119 12V-HG2 G2 0.695 ambi=2 { CG2:20.36 } atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } ::sumAvg: 4.165 atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } atom: 590 56D-HA A 4.553 ambi=1 { CA:56.04 } ::sumAvg: 4.855 atom: 590 56D-HA A 4.553 ambi=1 { CA:56.04 } atom: 10 2N-HA A 5.43 ambi=1 { CA:52.761 } ::sumAvg: 4.855 atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } atom: 20 3L-HA A 4.949 ambi=1 { CA:54.223 } ::sumAvg: 4.25 atom: 20 3L-HA A 4.949 ambi=1 { CA:54.223 } atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } ::sumAvg: 4.25 atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } :: atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } ::sumAvg: 4.385 atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } ::sumAvg: 4.385 atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } atom: 98 10S-H N 8.97 ambi=1 { N:120.3 } ::sumAvg: 4.915 atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } ::sumAvg: 3.99 atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } ::sumAvg: 3.99 atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } atom: 108 11T-HB B 3.904 ambi=1 { CB:71.95 } ::sumAvg: 4.625 atom: 108 11T-HB B 3.904 ambi=1 { CB:71.95 } atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } ::sumAvg: 4.625 atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } atom: 109 11T-HG2 G2 1.148 ambi=1 { CG2:21.579 } ::sumAvg: 4.05 atom: 109 11T-HG2 G2 1.148 ambi=1 { CG2:21.579 } atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } ::sumAvg: 4.05 atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } atom: 590 56D-HA A 4.553 ambi=1 { CA:56.04 } ::sumAvg: 3.875 atom: 590 56D-HA A 4.553 ambi=1 { CA:56.04 } atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } ::sumAvg: 3.875 atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } atom: 598 57G-HA2 A 4.343 ambi=2 { CA:44.869 } :: atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } atom: 599 57G-HA3 A 3.652 ambi=2 { CA:44.869 } ::sumAvg: 3.395 atom: 598 57G-HA2 A 4.343 ambi=2 { CA:44.869 } atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } :: atom: 599 57G-HA3 A 3.652 ambi=2 { CA:44.869 } atom: 11 2N-QB B 2.863 ambi=2 { CB:40.14 } ::sumAvg: 3.395 atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } atom: 13 2N-HD21 D2 6.936 ambi=2 { ND2:115.6 } :: atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } atom: 14 2N-HD22 D2 7.945 ambi=2 { ND2:115.6 } ::sumAvg: 4.615 atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } :: atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } ::sumAvg: 4.645 atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } :: atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } ::sumAvg: 4.645 atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } atom: 42 5V-H N 8.955 ambi=1 { N:126 } :: atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } atom: 42 5V-H N 8.955 ambi=1 { N:126 } ::sumAvg: 4.66 atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } atom: 98 10S-H N 8.97 ambi=1 { N:120.3 } :: atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } atom: 98 10S-H N 8.97 ambi=1 { N:120.3 } ::sumAvg: 4.525 atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } :: atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } ::sumAvg: 4.725 atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } :: atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } ::sumAvg: 4.725 atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } atom: 115 12V-H N 8.563 ambi=1 { N:125 } :: atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } atom: 115 12V-H N 8.563 ambi=1 { N:125 } ::sumAvg: 4.515 atom: 118 12V-HG1 G1 0.792 ambi=2 { CG1:21.346 } atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } :: atom: 119 12V-HG2 G2 0.695 ambi=2 { CG2:20.36 } atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } :: atom: 118 12V-HG1 G1 0.792 ambi=2 { CG1:21.346 } atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } :: atom: 119 12V-HG2 G2 0.695 ambi=2 { CG2:20.36 } atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } ::sumAvg: 3.76 atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } atom: 603 58D-H N 8.104 ambi=1 { N:122.6 } :: atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } atom: 603 58D-H N 8.104 ambi=1 { N:122.6 } ::sumAvg: 4.355 atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } :: atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } :: atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } :: atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } ::sumAvg: 3.835 atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } :: atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } :: atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } :: atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } ::sumAvg: 3.835 atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } :: atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } ::sumAvg: 4.2 atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } :: atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } ::sumAvg: 4.2 atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } :: atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } ::sumAvg: 3.355 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 21 3L-HB2 B 1.611 ambi=2 { CB:45.941 } :: atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 22 3L-HB3 B 1.409 ambi=2 { CB:45.941 } ::sumAvg: 2.605 atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } atom: 19 3L-H N 8.769 ambi=1 { N:121.8 } ::sumAvg: 4.9 atom: 86 9P-HA A 4.7 ambi=1 { CA:63.99 } atom: 19 3L-H N 8.769 ambi=1 { N:121.8 } ::sumAvg: 4.93 atom: 99 10S-HA A 4.822 ambi=1 { CA:57.88 } atom: 19 3L-H N 8.769 ambi=1 { N:121.8 } ::sumAvg: 4.875 atom: 100 10S-QB B 3.554 ambi=2 { CB:66.361 } atom: 19 3L-H N 8.769 ambi=1 { N:121.8 } ::sumAvg: 4.025 atom: 108 11T-HB B 3.904 ambi=1 { CB:71.95 } atom: 19 3L-H N 8.769 ambi=1 { N:121.8 } ::sumAvg: 4.94 atom: 109 11T-HG2 G2 1.148 ambi=1 { CG2:21.579 } atom: 19 3L-H N 8.769 ambi=1 { N:121.8 } ::sumAvg: 4.585 atom: 118 12V-HG1 G1 0.792 ambi=2 { CG1:21.346 } atom: 19 3L-H N 8.769 ambi=1 { N:121.8 } :: atom: 119 12V-HG2 G2 0.695 ambi=2 { CG2:20.36 } atom: 19 3L-H N 8.769 ambi=1 { N:121.8 } ::sumAvg: 3.925 atom: 20 3L-HA A 4.949 ambi=1 { CA:54.223 } atom: 35 4T-HB B 3.791 ambi=1 { CB:69.43 } ::sumAvg: 4.74 atom: 35 4T-HB B 3.791 ambi=1 { CB:69.43 } atom: 20 3L-HA A 4.949 ambi=1 { CA:54.223 } ::sumAvg: 4.74 atom: 20 3L-HA A 4.949 ambi=1 { CA:54.223 } atom: 598 57G-HA2 A 4.343 ambi=2 { CA:44.869 } :: atom: 20 3L-HA A 4.949 ambi=1 { CA:54.223 } atom: 599 57G-HA3 A 3.652 ambi=2 { CA:44.869 } ::sumAvg: 4.075 atom: 598 57G-HA2 A 4.343 ambi=2 { CA:44.869 } atom: 20 3L-HA A 4.949 ambi=1 { CA:54.223 } :: atom: 599 57G-HA3 A 3.652 ambi=2 { CA:44.869 } atom: 20 3L-HA A 4.949 ambi=1 { CA:54.223 } ::sumAvg: 4.075 atom: 20 3L-HA A 4.949 ambi=1 { CA:54.223 } atom: 603 58D-H N 8.104 ambi=1 { N:122.6 } ::sumAvg: 2.85 atom: 20 3L-HA A 4.949 ambi=1 { CA:54.223 } atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } :: atom: 20 3L-HA A 4.949 ambi=1 { CA:54.223 } atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } ::sumAvg: 3.48 atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } atom: 20 3L-HA A 4.949 ambi=1 { CA:54.223 } :: atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } atom: 20 3L-HA A 4.949 ambi=1 { CA:54.223 } ::sumAvg: 3.48 atom: 20 3L-HA A 4.949 ambi=1 { CA:54.223 } atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } ::sumAvg: 4.895 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 20 3L-HA A 4.949 ambi=1 { CA:54.223 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 20 3L-HA A 4.949 ambi=1 { CA:54.223 } ::sumAvg: 4.42 atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 100 10S-QB B 3.554 ambi=2 { CB:66.361 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 100 10S-QB B 3.554 ambi=2 { CB:66.361 } ::sumAvg: 4.775 atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } ::sumAvg: 4.55 atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 115 12V-H N 8.563 ambi=1 { N:125 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 115 12V-H N 8.563 ambi=1 { N:125 } ::sumAvg: 3.825 atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 117 12V-HB B 1.814 ambi=1 { CB:33.053 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 117 12V-HB B 1.814 ambi=1 { CB:33.053 } ::sumAvg: 4.625 atom: 226 23L-HG G 1.621 ambi=1 { CG:26.83 } atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } :: atom: 226 23L-HG G 1.621 ambi=1 { CG:26.83 } atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } ::sumAvg: 4.35 atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } ::sumAvg: 4.38 atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 563 54V-HB B 1.88 ambi=1 { CB:33.09 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 563 54V-HB B 1.88 ambi=1 { CB:33.09 } ::sumAvg: 3.955 atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 572 55K-H N 9.074 ambi=1 { N:124.7 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 572 55K-H N 9.074 ambi=1 { N:124.7 } ::sumAvg: 3.74 atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 573 55K-HA A 4.847 ambi=1 { CA:54.265 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 573 55K-HA A 4.847 ambi=1 { CA:54.265 } ::sumAvg: 4.35 atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 598 57G-HA2 A 4.343 ambi=2 { CA:44.869 } :: atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 599 57G-HA3 A 3.652 ambi=2 { CA:44.869 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 598 57G-HA2 A 4.343 ambi=2 { CA:44.869 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 599 57G-HA3 A 3.652 ambi=2 { CA:44.869 } ::sumAvg: 4.81 atom: 598 57G-HA2 A 4.343 ambi=2 { CA:44.869 } atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } :: atom: 599 57G-HA3 A 3.652 ambi=2 { CA:44.869 } atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } :: atom: 598 57G-HA2 A 4.343 ambi=2 { CA:44.869 } atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } :: atom: 599 57G-HA3 A 3.652 ambi=2 { CA:44.869 } atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } ::sumAvg: 4.81 atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } ::sumAvg: 4.86 atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } :: atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } ::sumAvg: 4.86 atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } :: atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } ::sumAvg: 2.795 atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } ::sumAvg: 4.615 atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } ::sumAvg: 4.23 atom: 24 3L-HD1 D1 0.755 ambi=2 { CD1:25.026 } atom: 620 60V-HB B 1.875 ambi=1 { CB:33.64 } :: atom: 25 3L-HD2 D2 0.609 ambi=2 { CD2:27.523 } atom: 620 60V-HB B 1.875 ambi=1 { CB:33.64 } ::sumAvg: 4.44 atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } ::sumAvg: 4.995 atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } ::sumAvg: 4.995 atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } atom: 115 12V-H N 8.563 ambi=1 { N:125 } ::sumAvg: 4.555 atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } :: atom: 228 23L-HD2 D2 0.779 ambi=2 { CD2:24.24 } atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } ::sumAvg: 4.255 atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } atom: 603 58D-H N 8.104 ambi=1 { N:122.6 } ::sumAvg: 4.64 atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } :: atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } ::sumAvg: 4.925 atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } :: atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } ::sumAvg: 4.925 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 23 3L-HG G 1.279 ambi=1 { CG:27.53 } ::sumAvg: 4.045 atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } ::sumAvg: 4.02 atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } atom: 53 6N-H N 9.534 ambi=1 { N:129.4 } ::sumAvg: 4.3 atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } atom: 72 8K-HB2 B 1.912 ambi=2 { CB:34.01 } :: atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } atom: 73 8K-HB3 B 1.812 ambi=2 { CB:34.01 } ::sumAvg: 4.65 atom: 72 8K-HB2 B 1.912 ambi=2 { CB:34.01 } atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } :: atom: 73 8K-HB3 B 1.812 ambi=2 { CB:34.01 } atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } ::sumAvg: 4.65 atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } atom: 71 8K-HA A 4.987 ambi=1 { CA:52.94 } ::sumAvg: 3.64 atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } atom: 87 9P-HB2 B 2.371 ambi=2 { CB:32 } :: atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } atom: 88 9P-HB3 B 1.972 ambi=2 { CB:32 } ::sumAvg: 4.115 atom: 87 9P-HB2 B 2.371 ambi=2 { CB:32 } atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } :: atom: 88 9P-HB3 B 1.972 ambi=2 { CB:32 } atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } ::sumAvg: 4.115 atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } atom: 89 9P-HG2 G 2.027 ambi=2 { CG:27.72 } :: atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } atom: 90 9P-HG3 G 2.181 ambi=2 { CG:27.72 } ::sumAvg: 4.14 atom: 89 9P-HG2 G 2.027 ambi=2 { CG:27.72 } atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } :: atom: 90 9P-HG3 G 2.181 ambi=2 { CG:27.72 } atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } ::sumAvg: 4.14 atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } atom: 91 9P-HD2 D 3.997 ambi=2 { CD:51.19 } :: atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } atom: 92 9P-HD3 D 3.725 ambi=2 { CD:51.19 } ::sumAvg: 3.46 atom: 91 9P-HD2 D 3.997 ambi=2 { CD:51.19 } atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } :: atom: 92 9P-HD3 D 3.725 ambi=2 { CD:51.19 } atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } ::sumAvg: 3.46 atom: 36 4T-HG2 G2 0.975 ambi=1 { CG2:21.47 } atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } ::sumAvg: 3.8 atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 33 4T-H N 8.329 ambi=1 { N:116.2 } ::sumAvg: 4.41 atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } atom: 33 4T-H N 8.329 ambi=1 { N:116.2 } ::sumAvg: 4.92 atom: 86 9P-HA A 4.7 ambi=1 { CA:63.99 } atom: 33 4T-H N 8.329 ambi=1 { N:116.2 } ::sumAvg: 4.58 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 33 4T-H N 8.329 ambi=1 { N:116.2 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 33 4T-H N 8.329 ambi=1 { N:116.2 } ::sumAvg: 4.03 atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } ::sumAvg: 3.64 atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } atom: 72 8K-HB2 B 1.912 ambi=2 { CB:34.01 } :: atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } atom: 73 8K-HB3 B 1.812 ambi=2 { CB:34.01 } ::sumAvg: 4.87 atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } atom: 70 8K-H N 7.9 ambi=1 { N:121.7 } ::sumAvg: 4.405 atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } atom: 87 9P-HB2 B 2.371 ambi=2 { CB:32 } :: atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } atom: 88 9P-HB3 B 1.972 ambi=2 { CB:32 } ::sumAvg: 4.295 atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } atom: 100 10S-QB B 3.554 ambi=2 { CB:66.361 } ::sumAvg: 4.22 atom: 100 10S-QB B 3.554 ambi=2 { CB:66.361 } atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } ::sumAvg: 4.22 atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } ::sumAvg: 4.345 atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } ::sumAvg: 4.345 atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } ::sumAvg: 4.79 atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 34 4T-HA A 4.744 ambi=1 { CA:62.15 } ::sumAvg: 4.79 atom: 35 4T-HB B 3.791 ambi=1 { CB:69.43 } atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } ::sumAvg: 4.835 atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } atom: 35 4T-HB B 3.791 ambi=1 { CB:69.43 } ::sumAvg: 4.835 atom: 35 4T-HB B 3.791 ambi=1 { CB:69.43 } atom: 64 7G-H N 8.915 ambi=1 { N:102.2 } ::sumAvg: 4.795 atom: 35 4T-HB B 3.791 ambi=1 { CB:69.43 } atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } ::sumAvg: 4.48 atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } :: atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } ::sumAvg: 3.57 atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 54 6N-HA A 4.636 ambi=1 { CA:54.15 } ::sumAvg: 4.28 atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } :: atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } ::sumAvg: 2.94 atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } :: atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } ::sumAvg: 2.94 atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 64 7G-H N 8.915 ambi=1 { N:102.2 } ::sumAvg: 4.305 atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 70 8K-H N 7.9 ambi=1 { N:121.7 } ::sumAvg: 3.765 atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 76 8K-QD D 1.753 ambi=2 { CD:29.07 } ::sumAvg: 4.305 atom: 76 8K-QD D 1.753 ambi=2 { CD:29.07 } atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } ::sumAvg: 4.305 atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 74 8K-HG2 G 1.516 ambi=2 { CG:24.5 } :: atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 75 8K-HG3 G 1.437 ambi=2 { CG:24.5 } ::sumAvg: 4.96 atom: 74 8K-HG2 G 1.516 ambi=2 { CG:24.5 } atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } :: atom: 75 8K-HG3 G 1.437 ambi=2 { CG:24.5 } atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } ::sumAvg: 4.96 atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 78 8K-QE E 2.83 ambi=2 { CE:42.39 } ::sumAvg: 4.925 atom: 78 8K-QE E 2.83 ambi=2 { CE:42.39 } atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } ::sumAvg: 4.925 atom: 86 9P-HA A 4.7 ambi=1 { CA:63.99 } atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } ::sumAvg: 4.735 atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 99 10S-HA A 4.822 ambi=1 { CA:57.88 } ::sumAvg: 4.755 atom: 99 10S-HA A 4.822 ambi=1 { CA:57.88 } atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } ::sumAvg: 4.755 atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } ::sumAvg: 4.865 atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } ::sumAvg: 4.865 atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } ::sumAvg: 4.15 atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } ::sumAvg: 4.86 atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } ::sumAvg: 4.86 atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } ::sumAvg: 3.555 atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } ::sumAvg: 3.555 atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 640 62F-H N 9.075 ambi=1 { N:122 } ::sumAvg: 3.27 atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 642 62F-HB2 B 2.986 ambi=2 { CB:39.64 } :: atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 643 62F-HB3 B 2.754 ambi=2 { CB:39.64 } ::sumAvg: 3.44 atom: 642 62F-HB2 B 2.986 ambi=2 { CB:39.64 } atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } :: atom: 643 62F-HB3 B 2.754 ambi=2 { CB:39.64 } atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } ::sumAvg: 3.44 atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 644 62F-QD D 7.058 ambi=3 { CD1:131.039 } ::sumAvg: 3.42 atom: 45 5V-QG G 0.719 ambi=2 { QCG:21.18 } atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } ::sumAvg: 4.86 atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } atom: 42 5V-H N 8.955 ambi=1 { N:126 } ::sumAvg: 2.905 atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } :: atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } ::sumAvg: 4.575 atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } :: atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } ::sumAvg: 4.605 atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } atom: 64 7G-H N 8.915 ambi=1 { N:102.2 } ::sumAvg: 3.665 atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } atom: 70 8K-H N 7.9 ambi=1 { N:121.7 } ::sumAvg: 4.36 atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } ::sumAvg: 4.465 atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } ::sumAvg: 4.465 atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } ::sumAvg: 4.845 atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } ::sumAvg: 4.845 atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } ::sumAvg: 3.745 atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } ::sumAvg: 4.89 atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } atom: 633 61E-HG2 G 2.02 ambi=2 { CG:35.798 } :: atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } atom: 634 61E-HG3 G 2.196 ambi=2 { CG:35.798 } ::sumAvg: 4.425 atom: 633 61E-HG2 G 2.02 ambi=2 { CG:35.798 } atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } :: atom: 634 61E-HG3 G 2.196 ambi=2 { CG:35.798 } atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } ::sumAvg: 4.425 atom: 43 5V-HA A 4.683 ambi=1 { CA:60.724 } atom: 640 62F-H N 9.075 ambi=1 { N:122 } ::sumAvg: 4.09 atom: 44 5V-HB B 1.952 ambi=1 { CB:33.59 } atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } :: atom: 44 5V-HB B 1.952 ambi=1 { CB:33.59 } atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } ::sumAvg: 4.44 atom: 44 5V-HB B 1.952 ambi=1 { CB:33.59 } atom: 53 6N-H N 9.534 ambi=1 { N:129.4 } ::sumAvg: 3.73 atom: 44 5V-HB B 1.952 ambi=1 { CB:33.59 } atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } :: atom: 44 5V-HB B 1.952 ambi=1 { CB:33.59 } atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } ::sumAvg: 4.88 atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } atom: 44 5V-HB B 1.952 ambi=1 { CB:33.59 } :: atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } atom: 44 5V-HB B 1.952 ambi=1 { CB:33.59 } ::sumAvg: 4.88 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 44 5V-HB B 1.952 ambi=1 { CB:33.59 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 44 5V-HB B 1.952 ambi=1 { CB:33.59 } ::sumAvg: 3.255 atom: 44 5V-HB B 1.952 ambi=1 { CB:33.59 } atom: 640 62F-H N 9.075 ambi=1 { N:122 } ::sumAvg: 4.36 atom: 44 5V-HB B 1.952 ambi=1 { CB:33.59 } atom: 642 62F-HB2 B 2.986 ambi=2 { CB:39.64 } :: atom: 44 5V-HB B 1.952 ambi=1 { CB:33.59 } atom: 643 62F-HB3 B 2.754 ambi=2 { CB:39.64 } ::sumAvg: 4.865 atom: 642 62F-HB2 B 2.986 ambi=2 { CB:39.64 } atom: 44 5V-HB B 1.952 ambi=1 { CB:33.59 } :: atom: 643 62F-HB3 B 2.754 ambi=2 { CB:39.64 } atom: 44 5V-HB B 1.952 ambi=1 { CB:33.59 } ::sumAvg: 4.865 atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } :: atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } ::sumAvg: 3.88 atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } :: atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } ::sumAvg: 4.225 atom: 659 63L-HA A 4.643 ambi=1 { CA:53.63 } atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } :: atom: 659 63L-HA A 4.643 ambi=1 { CA:53.63 } atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } ::sumAvg: 3.945 atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } :: atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } :: atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } :: atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } ::sumAvg: 4.755 atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } :: atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } atom: 57 6N-HD21 D2 6.43 ambi=2 { ND2:109.7 } :: atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } :: atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } atom: 58 6N-HD22 D2 7.67 ambi=2 { ND2:109.7 } ::sumAvg: 4.105 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 53 6N-H N 9.534 ambi=1 { N:129.4 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 53 6N-H N 9.534 ambi=1 { N:129.4 } ::sumAvg: 4.535 atom: 631 61E-HB2 B 1.733 ambi=2 { CB:32.477 } atom: 53 6N-H N 9.534 ambi=1 { N:129.4 } :: atom: 632 61E-HB3 B 1.969 ambi=2 { CB:32.477 } atom: 53 6N-H N 9.534 ambi=1 { N:129.4 } ::sumAvg: 4.005 atom: 633 61E-HG2 G 2.02 ambi=2 { CG:35.798 } atom: 53 6N-H N 9.534 ambi=1 { N:129.4 } :: atom: 634 61E-HG3 G 2.196 ambi=2 { CG:35.798 } atom: 53 6N-H N 9.534 ambi=1 { N:129.4 } ::sumAvg: 3.44 atom: 642 62F-HB2 B 2.986 ambi=2 { CB:39.64 } atom: 53 6N-H N 9.534 ambi=1 { N:129.4 } :: atom: 643 62F-HB3 B 2.754 ambi=2 { CB:39.64 } atom: 53 6N-H N 9.534 ambi=1 { N:129.4 } ::sumAvg: 4.55 atom: 54 6N-HA A 4.636 ambi=1 { CA:54.15 } atom: 66 7G-HA3 A 3.485 ambi=2 { CA:45.337 } :: atom: 54 6N-HA A 4.636 ambi=1 { CA:54.15 } atom: 65 7G-HA2 A 4.17 ambi=2 { CA:45.337 } ::sumAvg: 4.455 atom: 66 7G-HA3 A 3.485 ambi=2 { CA:45.337 } atom: 54 6N-HA A 4.636 ambi=1 { CA:54.15 } :: atom: 65 7G-HA2 A 4.17 ambi=2 { CA:45.337 } atom: 54 6N-HA A 4.636 ambi=1 { CA:54.15 } ::sumAvg: 4.455 atom: 54 6N-HA A 4.636 ambi=1 { CA:54.15 } atom: 70 8K-H N 7.9 ambi=1 { N:121.7 } ::sumAvg: 4.415 atom: 54 6N-HA A 4.636 ambi=1 { CA:54.15 } atom: 631 61E-HB2 B 1.733 ambi=2 { CB:32.477 } :: atom: 54 6N-HA A 4.636 ambi=1 { CA:54.15 } atom: 632 61E-HB3 B 1.969 ambi=2 { CB:32.477 } ::sumAvg: 3.645 atom: 631 61E-HB2 B 1.733 ambi=2 { CB:32.477 } atom: 54 6N-HA A 4.636 ambi=1 { CA:54.15 } :: atom: 632 61E-HB3 B 1.969 ambi=2 { CB:32.477 } atom: 54 6N-HA A 4.636 ambi=1 { CA:54.15 } ::sumAvg: 3.645 atom: 633 61E-HG2 G 2.02 ambi=2 { CG:35.798 } atom: 54 6N-HA A 4.636 ambi=1 { CA:54.15 } :: atom: 634 61E-HG3 G 2.196 ambi=2 { CG:35.798 } atom: 54 6N-HA A 4.636 ambi=1 { CA:54.15 } ::sumAvg: 3.755 atom: 54 6N-HA A 4.636 ambi=1 { CA:54.15 } atom: 640 62F-H N 9.075 ambi=1 { N:122 } ::sumAvg: 4.28 atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } atom: 66 7G-HA3 A 3.485 ambi=2 { CA:45.337 } :: atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } atom: 65 7G-HA2 A 4.17 ambi=2 { CA:45.337 } :: atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } atom: 66 7G-HA3 A 3.485 ambi=2 { CA:45.337 } :: atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } atom: 65 7G-HA2 A 4.17 ambi=2 { CA:45.337 } ::sumAvg: 4.93 atom: 66 7G-HA3 A 3.485 ambi=2 { CA:45.337 } atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } :: atom: 65 7G-HA2 A 4.17 ambi=2 { CA:45.337 } atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } :: atom: 66 7G-HA3 A 3.485 ambi=2 { CA:45.337 } atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } :: atom: 65 7G-HA2 A 4.17 ambi=2 { CA:45.337 } atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } ::sumAvg: 4.93 atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } atom: 72 8K-HB2 B 1.912 ambi=2 { CB:34.01 } :: atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } atom: 73 8K-HB3 B 1.812 ambi=2 { CB:34.01 } :: atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } atom: 72 8K-HB2 B 1.912 ambi=2 { CB:34.01 } :: atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } atom: 73 8K-HB3 B 1.812 ambi=2 { CB:34.01 } ::sumAvg: 3.695 atom: 72 8K-HB2 B 1.912 ambi=2 { CB:34.01 } atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } :: atom: 73 8K-HB3 B 1.812 ambi=2 { CB:34.01 } atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } :: atom: 72 8K-HB2 B 1.912 ambi=2 { CB:34.01 } atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } :: atom: 73 8K-HB3 B 1.812 ambi=2 { CB:34.01 } atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } ::sumAvg: 3.695 atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } atom: 70 8K-H N 7.9 ambi=1 { N:121.7 } :: atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } atom: 70 8K-H N 7.9 ambi=1 { N:121.7 } ::sumAvg: 3.47 atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } atom: 76 8K-QD D 1.753 ambi=2 { CD:29.07 } :: atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } atom: 76 8K-QD D 1.753 ambi=2 { CD:29.07 } ::sumAvg: 3.84 atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } atom: 74 8K-HG2 G 1.516 ambi=2 { CG:24.5 } :: atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } atom: 75 8K-HG3 G 1.437 ambi=2 { CG:24.5 } :: atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } atom: 74 8K-HG2 G 1.516 ambi=2 { CG:24.5 } :: atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } atom: 75 8K-HG3 G 1.437 ambi=2 { CG:24.5 } ::sumAvg: 3.95 atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } :: atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } ::sumAvg: 4.775 atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } :: atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } ::sumAvg: 4.775 atom: 56 6N-HB3 B 2.924 ambi=2 { CB:36.41 } atom: 640 62F-H N 9.075 ambi=1 { N:122 } :: atom: 55 6N-HB2 B 3.08 ambi=2 { CB:36.41 } atom: 640 62F-H N 9.075 ambi=1 { N:122 } ::sumAvg: 4.36 atom: 76 8K-QD D 1.753 ambi=2 { CD:29.07 } atom: 64 7G-H N 8.915 ambi=1 { N:102.2 } ::sumAvg: 4.875 atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 64 7G-H N 8.915 ambi=1 { N:102.2 } ::sumAvg: 4.405 atom: 66 7G-HA3 A 3.485 ambi=2 { CA:45.337 } atom: 71 8K-HA A 4.987 ambi=1 { CA:52.94 } :: atom: 65 7G-HA2 A 4.17 ambi=2 { CA:45.337 } atom: 71 8K-HA A 4.987 ambi=1 { CA:52.94 } ::sumAvg: 4.505 atom: 71 8K-HA A 4.987 ambi=1 { CA:52.94 } atom: 66 7G-HA3 A 3.485 ambi=2 { CA:45.337 } :: atom: 71 8K-HA A 4.987 ambi=1 { CA:52.94 } atom: 65 7G-HA2 A 4.17 ambi=2 { CA:45.337 } ::sumAvg: 4.505 atom: 76 8K-QD D 1.753 ambi=2 { CD:29.07 } atom: 66 7G-HA3 A 3.485 ambi=2 { CA:45.337 } :: atom: 76 8K-QD D 1.753 ambi=2 { CD:29.07 } atom: 65 7G-HA2 A 4.17 ambi=2 { CA:45.337 } ::sumAvg: 4.54 atom: 66 7G-HA3 A 3.485 ambi=2 { CA:45.337 } atom: 74 8K-HG2 G 1.516 ambi=2 { CG:24.5 } :: atom: 66 7G-HA3 A 3.485 ambi=2 { CA:45.337 } atom: 75 8K-HG3 G 1.437 ambi=2 { CG:24.5 } :: atom: 65 7G-HA2 A 4.17 ambi=2 { CA:45.337 } atom: 74 8K-HG2 G 1.516 ambi=2 { CG:24.5 } :: atom: 65 7G-HA2 A 4.17 ambi=2 { CA:45.337 } atom: 75 8K-HG3 G 1.437 ambi=2 { CG:24.5 } ::sumAvg: 4.66 atom: 74 8K-HG2 G 1.516 ambi=2 { CG:24.5 } atom: 66 7G-HA3 A 3.485 ambi=2 { CA:45.337 } :: atom: 75 8K-HG3 G 1.437 ambi=2 { CG:24.5 } atom: 66 7G-HA3 A 3.485 ambi=2 { CA:45.337 } :: atom: 74 8K-HG2 G 1.516 ambi=2 { CG:24.5 } atom: 65 7G-HA2 A 4.17 ambi=2 { CA:45.337 } :: atom: 75 8K-HG3 G 1.437 ambi=2 { CG:24.5 } atom: 65 7G-HA2 A 4.17 ambi=2 { CA:45.337 } ::sumAvg: 4.66 atom: 66 7G-HA3 A 3.485 ambi=2 { CA:45.337 } atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } :: atom: 65 7G-HA2 A 4.17 ambi=2 { CA:45.337 } atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } ::sumAvg: 4.845 atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 66 7G-HA3 A 3.485 ambi=2 { CA:45.337 } :: atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 65 7G-HA2 A 4.17 ambi=2 { CA:45.337 } ::sumAvg: 4.845 atom: 72 8K-HB2 B 1.912 ambi=2 { CB:34.01 } atom: 78 8K-QE E 2.83 ambi=2 { CE:42.39 } :: atom: 73 8K-HB3 B 1.812 ambi=2 { CB:34.01 } atom: 78 8K-QE E 2.83 ambi=2 { CE:42.39 } ::sumAvg: 3.12 atom: 78 8K-QE E 2.83 ambi=2 { CE:42.39 } atom: 72 8K-HB2 B 1.912 ambi=2 { CB:34.01 } :: atom: 78 8K-QE E 2.83 ambi=2 { CE:42.39 } atom: 73 8K-HB3 B 1.812 ambi=2 { CB:34.01 } ::sumAvg: 3.12 atom: 76 8K-QD D 1.753 ambi=2 { CD:29.07 } atom: 70 8K-H N 7.9 ambi=1 { N:121.7 } ::sumAvg: 3.175 atom: 78 8K-QE E 2.83 ambi=2 { CE:42.39 } atom: 70 8K-H N 7.9 ambi=1 { N:121.7 } ::sumAvg: 4.17 atom: 91 9P-HD2 D 3.997 ambi=2 { CD:51.19 } atom: 70 8K-H N 7.9 ambi=1 { N:121.7 } :: atom: 92 9P-HD3 D 3.725 ambi=2 { CD:51.19 } atom: 70 8K-H N 7.9 ambi=1 { N:121.7 } ::sumAvg: 4.475 atom: 71 8K-HA A 4.987 ambi=1 { CA:52.94 } atom: 76 8K-QD D 1.753 ambi=2 { CD:29.07 } ::sumAvg: 3.155 atom: 71 8K-HA A 4.987 ambi=1 { CA:52.94 } atom: 87 9P-HB2 B 2.371 ambi=2 { CB:32 } :: atom: 71 8K-HA A 4.987 ambi=1 { CA:52.94 } atom: 88 9P-HB3 B 1.972 ambi=2 { CB:32 } ::sumAvg: 4.95 atom: 87 9P-HB2 B 2.371 ambi=2 { CB:32 } atom: 71 8K-HA A 4.987 ambi=1 { CA:52.94 } :: atom: 88 9P-HB3 B 1.972 ambi=2 { CB:32 } atom: 71 8K-HA A 4.987 ambi=1 { CA:52.94 } ::sumAvg: 4.95 atom: 71 8K-HA A 4.987 ambi=1 { CA:52.94 } atom: 78 8K-QE E 2.83 ambi=2 { CE:42.39 } ::sumAvg: 3.81 atom: 78 8K-QE E 2.83 ambi=2 { CE:42.39 } atom: 71 8K-HA A 4.987 ambi=1 { CA:52.94 } ::sumAvg: 3.81 atom: 78 8K-QE E 2.83 ambi=2 { CE:42.39 } atom: 76 8K-QD D 1.753 ambi=2 { CD:29.07 } ::sumAvg: 2.04 atom: 74 8K-HG2 G 1.516 ambi=2 { CG:24.5 } atom: 78 8K-QE E 2.83 ambi=2 { CE:42.39 } :: atom: 75 8K-HG3 G 1.437 ambi=2 { CG:24.5 } atom: 78 8K-QE E 2.83 ambi=2 { CE:42.39 } ::sumAvg: 2.635 atom: 87 9P-HB2 B 2.371 ambi=2 { CB:32 } atom: 99 10S-HA A 4.822 ambi=1 { CA:57.88 } :: atom: 88 9P-HB3 B 1.972 ambi=2 { CB:32 } atom: 99 10S-HA A 4.822 ambi=1 { CA:57.88 } ::sumAvg: 4.43 atom: 99 10S-HA A 4.822 ambi=1 { CA:57.88 } atom: 87 9P-HB2 B 2.371 ambi=2 { CB:32 } :: atom: 99 10S-HA A 4.822 ambi=1 { CA:57.88 } atom: 88 9P-HB3 B 1.972 ambi=2 { CB:32 } ::sumAvg: 4.43 atom: 78 8K-QE E 2.83 ambi=2 { CE:42.39 } atom: 91 9P-HD2 D 3.997 ambi=2 { CD:51.19 } :: atom: 78 8K-QE E 2.83 ambi=2 { CE:42.39 } atom: 92 9P-HD3 D 3.725 ambi=2 { CD:51.19 } ::sumAvg: 4.815 atom: 91 9P-HD2 D 3.997 ambi=2 { CD:51.19 } atom: 78 8K-QE E 2.83 ambi=2 { CE:42.39 } :: atom: 92 9P-HD3 D 3.725 ambi=2 { CD:51.19 } atom: 78 8K-QE E 2.83 ambi=2 { CE:42.39 } ::sumAvg: 4.815 atom: 100 10S-QB B 3.554 ambi=2 { CB:66.361 } atom: 86 9P-HA A 4.7 ambi=1 { CA:63.99 } ::sumAvg: 4.305 atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } atom: 147 16E-H N 8.967 ambi=1 { N:120.8 } ::sumAvg: 2.94 atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } atom: 166 18L-H N 8.285 ambi=1 { N:122.165 } ::sumAvg: 4.46 atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } atom: 168 18L-HB2 B 1.793 ambi=2 { CB:47.43 } ::sumAvg: 4.095 atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } atom: 98 10S-H N 8.97 ambi=1 { N:120.3 } ::sumAvg: 4.845 atom: 99 10S-HA A 4.822 ambi=1 { CA:57.88 } atom: 106 11T-H N 8.59 ambi=1 { N:120.191 } ::sumAvg: 2.405 atom: 99 10S-HA A 4.822 ambi=1 { CA:57.88 } atom: 108 11T-HB B 3.904 ambi=1 { CB:71.95 } ::sumAvg: 4.565 atom: 99 10S-HA A 4.822 ambi=1 { CA:57.88 } atom: 109 11T-HG2 G2 1.148 ambi=1 { CG2:21.579 } ::sumAvg: 4.425 atom: 109 11T-HG2 G2 1.148 ambi=1 { CG2:21.579 } atom: 99 10S-HA A 4.822 ambi=1 { CA:57.88 } ::sumAvg: 4.425 atom: 100 10S-QB B 3.554 ambi=2 { CB:66.361 } atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } ::sumAvg: 4.5 atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } atom: 100 10S-QB B 3.554 ambi=2 { CB:66.361 } ::sumAvg: 4.5 atom: 118 12V-HG1 G1 0.792 ambi=2 { CG1:21.346 } atom: 100 10S-QB B 3.554 ambi=2 { CB:66.361 } :: atom: 119 12V-HG2 G2 0.695 ambi=2 { CG2:20.36 } atom: 100 10S-QB B 3.554 ambi=2 { CB:66.361 } ::sumAvg: 3.635 atom: 109 11T-HG2 G2 1.148 ambi=1 { CG2:21.579 } atom: 106 11T-H N 8.59 ambi=1 { N:120.191 } ::sumAvg: 3.195 atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } atom: 116 12V-HA A 4.172 ambi=1 { CA:61.35 } ::sumAvg: 4.435 atom: 118 12V-HG1 G1 0.792 ambi=2 { CG1:21.346 } atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } :: atom: 119 12V-HG2 G2 0.695 ambi=2 { CG2:20.36 } atom: 107 11T-HA A 5.163 ambi=1 { CA:61.38 } ::sumAvg: 3.725 atom: 109 11T-HG2 G2 1.148 ambi=1 { CG2:21.579 } atom: 115 12V-H N 8.563 ambi=1 { N:125 } ::sumAvg: 3.5 atom: 109 11T-HG2 G2 1.148 ambi=1 { CG2:21.579 } atom: 116 12V-HA A 4.172 ambi=1 { CA:61.35 } ::sumAvg: 3.97 atom: 109 11T-HG2 G2 1.148 ambi=1 { CG2:21.579 } atom: 119 12V-HG2 G2 0.695 ambi=2 { CG2:20.36 } ::sumAvg: 4.36 atom: 119 12V-HG2 G2 0.695 ambi=2 { CG2:20.36 } atom: 109 11T-HG2 G2 1.148 ambi=1 { CG2:21.579 } ::sumAvg: 4.36 atom: 109 11T-HG2 G2 1.148 ambi=1 { CG2:21.579 } atom: 126 13D-H N 8.878 ambi=1 { N:128.3 } ::sumAvg: 3.635 atom: 109 11T-HG2 G2 1.148 ambi=1 { CG2:21.579 } atom: 127 13D-HA A 4.501 ambi=1 { CA:55.12 } ::sumAvg: 4.3 atom: 109 11T-HG2 G2 1.148 ambi=1 { CG2:21.579 } atom: 128 13D-HB2 B 2.612 ambi=2 { CB:41.45 } :: atom: 109 11T-HG2 G2 1.148 ambi=1 { CG2:21.579 } atom: 129 13D-HB3 B 2.513 ambi=2 { CB:41.45 } ::sumAvg: 4.11 atom: 128 13D-HB2 B 2.612 ambi=2 { CB:41.45 } atom: 109 11T-HG2 G2 1.148 ambi=1 { CG2:21.579 } :: atom: 129 13D-HB3 B 2.513 ambi=2 { CB:41.45 } atom: 109 11T-HG2 G2 1.148 ambi=1 { CG2:21.579 } ::sumAvg: 4.11 atom: 117 12V-HB B 1.814 ambi=1 { CB:33.053 } atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } ::sumAvg: 3.885 atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } atom: 117 12V-HB B 1.814 ambi=1 { CB:33.053 } ::sumAvg: 3.885 atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } atom: 118 12V-HG1 G1 0.792 ambi=2 { CG1:21.346 } :: atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } atom: 119 12V-HG2 G2 0.695 ambi=2 { CG2:20.36 } ::sumAvg: 3.075 atom: 118 12V-HG1 G1 0.792 ambi=2 { CG1:21.346 } atom: 127 13D-HA A 4.501 ambi=1 { CA:55.12 } :: atom: 119 12V-HG2 G2 0.695 ambi=2 { CG2:20.36 } atom: 127 13D-HA A 4.501 ambi=1 { CA:55.12 } ::sumAvg: 4.71 atom: 127 13D-HA A 4.501 ambi=1 { CA:55.12 } atom: 118 12V-HG1 G1 0.792 ambi=2 { CG1:21.346 } :: atom: 127 13D-HA A 4.501 ambi=1 { CA:55.12 } atom: 119 12V-HG2 G2 0.695 ambi=2 { CG2:20.36 } ::sumAvg: 4.71 atom: 118 12V-HG1 G1 0.792 ambi=2 { CG1:21.346 } atom: 140 15A-H N 7.36 ambi=1 { N:121.213 } :: atom: 119 12V-HG2 G2 0.695 ambi=2 { CG2:20.36 } atom: 140 15A-H N 7.36 ambi=1 { N:121.213 } ::sumAvg: 4.335 atom: 118 12V-HG1 G1 0.792 ambi=2 { CG1:21.346 } atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } :: atom: 119 12V-HG2 G2 0.695 ambi=2 { CG2:20.36 } atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } ::sumAvg: 4.51 atom: 127 13D-HA A 4.501 ambi=1 { CA:55.12 } atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } ::sumAvg: 4.845 atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } atom: 127 13D-HA A 4.501 ambi=1 { CA:55.12 } ::sumAvg: 4.845 atom: 127 13D-HA A 4.501 ambi=1 { CA:55.12 } atom: 128 13D-HB2 B 2.612 ambi=2 { CB:41.45 } :: atom: 127 13D-HA A 4.501 ambi=1 { CA:55.12 } atom: 129 13D-HB3 B 2.513 ambi=2 { CB:41.45 } ::sumAvg: 2.56 atom: 127 13D-HA A 4.501 ambi=1 { CA:55.12 } atom: 135 14G-HA2 A 4.076 ambi=2 { CA:45.887 } :: atom: 127 13D-HA A 4.501 ambi=1 { CA:55.12 } atom: 136 14G-HA3 A 3.719 ambi=2 { CA:45.887 } ::sumAvg: 4.48 atom: 127 13D-HA A 4.501 ambi=1 { CA:55.12 } atom: 140 15A-H N 7.36 ambi=1 { N:121.213 } ::sumAvg: 4.235 atom: 128 13D-HB2 B 2.612 ambi=2 { CB:41.45 } atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } :: atom: 129 13D-HB3 B 2.513 ambi=2 { CB:41.45 } atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } ::sumAvg: 4.66 atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } atom: 128 13D-HB2 B 2.612 ambi=2 { CB:41.45 } :: atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } atom: 129 13D-HB3 B 2.513 ambi=2 { CB:41.45 } ::sumAvg: 4.66 atom: 128 13D-HB2 B 2.612 ambi=2 { CB:41.45 } atom: 135 14G-HA2 A 4.076 ambi=2 { CA:45.887 } :: atom: 128 13D-HB2 B 2.612 ambi=2 { CB:41.45 } atom: 136 14G-HA3 A 3.719 ambi=2 { CA:45.887 } :: atom: 129 13D-HB3 B 2.513 ambi=2 { CB:41.45 } atom: 135 14G-HA2 A 4.076 ambi=2 { CA:45.887 } :: atom: 129 13D-HB3 B 2.513 ambi=2 { CB:41.45 } atom: 136 14G-HA3 A 3.719 ambi=2 { CA:45.887 } ::sumAvg: 4.685 atom: 135 14G-HA2 A 4.076 ambi=2 { CA:45.887 } atom: 128 13D-HB2 B 2.612 ambi=2 { CB:41.45 } :: atom: 136 14G-HA3 A 3.719 ambi=2 { CA:45.887 } atom: 128 13D-HB2 B 2.612 ambi=2 { CB:41.45 } :: atom: 135 14G-HA2 A 4.076 ambi=2 { CA:45.887 } atom: 129 13D-HB3 B 2.513 ambi=2 { CB:41.45 } :: atom: 136 14G-HA3 A 3.719 ambi=2 { CA:45.887 } atom: 129 13D-HB3 B 2.513 ambi=2 { CB:41.45 } ::sumAvg: 4.685 atom: 128 13D-HB2 B 2.612 ambi=2 { CB:41.45 } atom: 140 15A-H N 7.36 ambi=1 { N:121.213 } :: atom: 129 13D-HB3 B 2.513 ambi=2 { CB:41.45 } atom: 140 15A-H N 7.36 ambi=1 { N:121.213 } ::sumAvg: 4.21 atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } atom: 134 14G-H N 8.697 ambi=1 { N:109.9 } ::sumAvg: 4.695 atom: 135 14G-HA2 A 4.076 ambi=2 { CA:45.887 } atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } :: atom: 136 14G-HA3 A 3.719 ambi=2 { CA:45.887 } atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } ::sumAvg: 4.39 atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } atom: 135 14G-HA2 A 4.076 ambi=2 { CA:45.887 } :: atom: 142 15A-HB B 1.258 ambi=1 { CB:20.97 } atom: 136 14G-HA3 A 3.719 ambi=2 { CA:45.887 } ::sumAvg: 4.39 atom: 135 14G-HA2 A 4.076 ambi=2 { CA:45.887 } atom: 141 15A-HA A 4.601 ambi=1 { CA:51.37 } :: atom: 136 14G-HA3 A 3.719 ambi=2 { CA:45.887 } atom: 141 15A-HA A 4.601 ambi=1 { CA:51.37 } ::sumAvg: 4.445 atom: 141 15A-HA A 4.601 ambi=1 { CA:51.37 } atom: 135 14G-HA2 A 4.076 ambi=2 { CA:45.887 } :: atom: 141 15A-HA A 4.601 ambi=1 { CA:51.37 } atom: 136 14G-HA3 A 3.719 ambi=2 { CA:45.887 } ::sumAvg: 4.445 atom: 148 16E-HA A 4.406 ambi=1 { CA:57.17 } atom: 140 15A-H N 7.36 ambi=1 { N:121.213 } ::sumAvg: 4.925 atom: 141 15A-HA A 4.601 ambi=1 { CA:51.37 } atom: 149 16E-HB2 B 2.165 ambi=2 { CB:30.7 } :: atom: 141 15A-HA A 4.601 ambi=1 { CA:51.37 } atom: 150 16E-HB3 B 1.974 ambi=2 { CB:30.7 } ::sumAvg: 4.665 atom: 149 16E-HB2 B 2.165 ambi=2 { CB:30.7 } atom: 141 15A-HA A 4.601 ambi=1 { CA:51.37 } :: atom: 150 16E-HB3 B 1.974 ambi=2 { CB:30.7 } atom: 141 15A-HA A 4.601 ambi=1 { CA:51.37 } ::sumAvg: 4.665 atom: 141 15A-HA A 4.601 ambi=1 { CA:51.37 } atom: 170 18L-HG G 1.446 ambi=1 { CG:26.73 } ::sumAvg: 4.675 atom: 170 18L-HG G 1.446 ambi=1 { CG:26.73 } atom: 141 15A-HA A 4.601 ambi=1 { CA:51.37 } ::sumAvg: 4.675 atom: 141 15A-HA A 4.601 ambi=1 { CA:51.37 } atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } :: atom: 141 15A-HA A 4.601 ambi=1 { CA:51.37 } atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } ::sumAvg: 3.61 atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } atom: 141 15A-HA A 4.601 ambi=1 { CA:51.37 } :: atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } atom: 141 15A-HA A 4.601 ambi=1 { CA:51.37 } ::sumAvg: 3.61 atom: 170 18L-HG G 1.446 ambi=1 { CG:26.73 } atom: 147 16E-H N 8.967 ambi=1 { N:120.8 } ::sumAvg: 4.81 atom: 148 16E-HA A 4.406 ambi=1 { CA:57.17 } atom: 159 17S-HA A 4.891 ambi=1 { CA:57.797 } ::sumAvg: 4.555 atom: 159 17S-HA A 4.891 ambi=1 { CA:57.797 } atom: 148 16E-HA A 4.406 ambi=1 { CA:57.17 } ::sumAvg: 4.555 atom: 148 16E-HA A 4.406 ambi=1 { CA:57.17 } atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } ::sumAvg: 4.785 atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } atom: 148 16E-HA A 4.406 ambi=1 { CA:57.17 } ::sumAvg: 4.785 atom: 149 16E-HB2 B 2.165 ambi=2 { CB:30.7 } atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } :: atom: 150 16E-HB3 B 1.974 ambi=2 { CB:30.7 } atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } ::sumAvg: 4.51 atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } atom: 149 16E-HB2 B 2.165 ambi=2 { CB:30.7 } :: atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } atom: 150 16E-HB3 B 1.974 ambi=2 { CB:30.7 } ::sumAvg: 4.51 atom: 151 16E-HG2 G 2.34 ambi=2 { CG:36.31 } atom: 158 17S-H N 7.587 ambi=1 { N:111.6 } :: atom: 152 16E-HG3 G 2.277 ambi=2 { CG:36.31 } atom: 158 17S-H N 7.587 ambi=1 { N:111.6 } ::sumAvg: 3.43 atom: 151 16E-HG2 G 2.34 ambi=2 { CG:36.31 } atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } :: atom: 152 16E-HG3 G 2.277 ambi=2 { CG:36.31 } atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } ::sumAvg: 4.495 atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } atom: 151 16E-HG2 G 2.34 ambi=2 { CG:36.31 } :: atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } atom: 152 16E-HG3 G 2.277 ambi=2 { CG:36.31 } ::sumAvg: 4.495 atom: 168 18L-HB2 B 1.793 ambi=2 { CB:47.43 } atom: 158 17S-H N 7.587 ambi=1 { N:111.6 } :: atom: 169 18L-HB3 B 1.302 ambi=2 { CB:47.43 } atom: 158 17S-H N 7.587 ambi=1 { N:111.6 } ::sumAvg: 4.905 atom: 170 18L-HG G 1.446 ambi=1 { CG:26.73 } atom: 158 17S-H N 7.587 ambi=1 { N:111.6 } ::sumAvg: 3.685 atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } atom: 158 17S-H N 7.587 ambi=1 { N:111.6 } :: atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } atom: 158 17S-H N 7.587 ambi=1 { N:111.6 } ::sumAvg: 4.215 atom: 573 55K-HA A 4.847 ambi=1 { CA:54.265 } atom: 158 17S-H N 7.587 ambi=1 { N:111.6 } ::sumAvg: 4.43 atom: 159 17S-HA A 4.891 ambi=1 { CA:57.797 } atom: 170 18L-HG G 1.446 ambi=1 { CG:26.73 } ::sumAvg: 4.055 atom: 170 18L-HG G 1.446 ambi=1 { CG:26.73 } atom: 159 17S-HA A 4.891 ambi=1 { CA:57.797 } ::sumAvg: 4.055 atom: 159 17S-HA A 4.891 ambi=1 { CA:57.797 } atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } :: atom: 159 17S-HA A 4.891 ambi=1 { CA:57.797 } atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } ::sumAvg: 4.43 atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } atom: 159 17S-HA A 4.891 ambi=1 { CA:57.797 } :: atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } atom: 159 17S-HA A 4.891 ambi=1 { CA:57.797 } ::sumAvg: 4.43 atom: 159 17S-HA A 4.891 ambi=1 { CA:57.797 } atom: 555 53T-HG2 G2 1.083 ambi=1 { CG2:22.27 } ::sumAvg: 4.82 atom: 555 53T-HG2 G2 1.083 ambi=1 { CG2:22.27 } atom: 159 17S-HA A 4.891 ambi=1 { CA:57.797 } ::sumAvg: 4.82 atom: 159 17S-HA A 4.891 ambi=1 { CA:57.797 } atom: 561 54V-H N 9.223 ambi=1 { N:126.2 } ::sumAvg: 4.955 atom: 159 17S-HA A 4.891 ambi=1 { CA:57.797 } atom: 574 55K-HB2 B 1.864 ambi=2 { CB:36.111 } :: atom: 159 17S-HA A 4.891 ambi=1 { CA:57.797 } atom: 575 55K-HB3 B 1.702 ambi=2 { CB:36.111 } ::sumAvg: 3.865 atom: 159 17S-HA A 4.891 ambi=1 { CA:57.797 } atom: 576 55K-HG2 G 1.487 ambi=2 { CG:23.547 } :: atom: 159 17S-HA A 4.891 ambi=1 { CA:57.797 } atom: 577 55K-HG3 G 1.271 ambi=2 { CG:23.547 } ::sumAvg: 4.7 atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } atom: 167 18L-HA A 4.81 ambi=1 { CA:54.23 } ::sumAvg: 4.29 atom: 167 18L-HA A 4.81 ambi=1 { CA:54.23 } atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } ::sumAvg: 4.29 atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } :: atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } ::sumAvg: 4.885 atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } :: atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } ::sumAvg: 4.885 atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } atom: 555 53T-HG2 G2 1.083 ambi=1 { CG2:22.27 } ::sumAvg: 3.435 atom: 573 55K-HA A 4.847 ambi=1 { CA:54.265 } atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } ::sumAvg: 4.055 atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } atom: 574 55K-HB2 B 1.864 ambi=2 { CB:36.111 } :: atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } atom: 575 55K-HB3 B 1.702 ambi=2 { CB:36.111 } ::sumAvg: 3.955 atom: 574 55K-HB2 B 1.864 ambi=2 { CB:36.111 } atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } :: atom: 575 55K-HB3 B 1.702 ambi=2 { CB:36.111 } atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } ::sumAvg: 3.955 atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } atom: 576 55K-HG2 G 1.487 ambi=2 { CG:23.547 } :: atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } atom: 577 55K-HG3 G 1.271 ambi=2 { CG:23.547 } ::sumAvg: 4.62 atom: 576 55K-HG2 G 1.487 ambi=2 { CG:23.547 } atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } :: atom: 577 55K-HG3 G 1.271 ambi=2 { CG:23.547 } atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } ::sumAvg: 4.62 atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } atom: 578 55K-QD D 1.64 ambi=2 { CD:29.005 } ::sumAvg: 4.875 atom: 578 55K-QD D 1.64 ambi=2 { CD:29.005 } atom: 160 17S-QB B 3.811 ambi=2 { CB:64.571 } ::sumAvg: 4.875 atom: 170 18L-HG G 1.446 ambi=1 { CG:26.73 } atom: 166 18L-H N 8.285 ambi=1 { N:122.165 } ::sumAvg: 2.6 atom: 553 53T-HA A 4.521 ambi=1 { CA:62.11 } atom: 166 18L-H N 8.285 ambi=1 { N:122.165 } ::sumAvg: 4.89 atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } atom: 166 18L-H N 8.285 ambi=1 { N:122.165 } :: atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } atom: 166 18L-H N 8.285 ambi=1 { N:122.165 } ::sumAvg: 4.82 atom: 170 18L-HG G 1.446 ambi=1 { CG:26.73 } atom: 167 18L-HA A 4.81 ambi=1 { CA:54.23 } ::sumAvg: 3.38 atom: 167 18L-HA A 4.81 ambi=1 { CA:54.23 } atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } ::sumAvg: 4.37 atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } atom: 167 18L-HA A 4.81 ambi=1 { CA:54.23 } ::sumAvg: 4.37 atom: 167 18L-HA A 4.81 ambi=1 { CA:54.23 } atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } :: atom: 167 18L-HA A 4.81 ambi=1 { CA:54.23 } atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } ::sumAvg: 4.83 atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } atom: 167 18L-HA A 4.81 ambi=1 { CA:54.23 } :: atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } atom: 167 18L-HA A 4.81 ambi=1 { CA:54.23 } ::sumAvg: 4.83 atom: 167 18L-HA A 4.81 ambi=1 { CA:54.23 } atom: 215 22E-HG2 G 2.24 ambi=2 { CG:36.65 } :: atom: 167 18L-HA A 4.81 ambi=1 { CA:54.23 } atom: 216 22E-HG3 G 2.563 ambi=2 { CG:36.65 } ::sumAvg: 4.57 atom: 215 22E-HG2 G 2.24 ambi=2 { CG:36.65 } atom: 167 18L-HA A 4.81 ambi=1 { CA:54.23 } :: atom: 216 22E-HG3 G 2.563 ambi=2 { CG:36.65 } atom: 167 18L-HA A 4.81 ambi=1 { CA:54.23 } ::sumAvg: 4.57 atom: 167 18L-HA A 4.81 ambi=1 { CA:54.23 } atom: 555 53T-HG2 G2 1.083 ambi=1 { CG2:22.27 } ::sumAvg: 3.9 atom: 555 53T-HG2 G2 1.083 ambi=1 { CG2:22.27 } atom: 167 18L-HA A 4.81 ambi=1 { CA:54.23 } ::sumAvg: 3.9 atom: 167 18L-HA A 4.81 ambi=1 { CA:54.23 } atom: 561 54V-H N 9.223 ambi=1 { N:126.2 } ::sumAvg: 4.845 atom: 168 18L-HB2 B 1.793 ambi=2 { CB:47.43 } atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } :: atom: 169 18L-HB3 B 1.302 ambi=2 { CB:47.43 } atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } ::sumAvg: 4.705 atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } atom: 168 18L-HB2 B 1.793 ambi=2 { CB:47.43 } :: atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } atom: 169 18L-HB3 B 1.302 ambi=2 { CB:47.43 } ::sumAvg: 4.705 atom: 168 18L-HB2 B 1.793 ambi=2 { CB:47.43 } atom: 212 22E-HA A 4.046 ambi=1 { CA:58.55 } :: atom: 169 18L-HB3 B 1.302 ambi=2 { CB:47.43 } atom: 212 22E-HA A 4.046 ambi=1 { CA:58.55 } ::sumAvg: 4.895 atom: 168 18L-HB2 B 1.793 ambi=2 { CB:47.43 } atom: 215 22E-HG2 G 2.24 ambi=2 { CG:36.65 } :: atom: 168 18L-HB2 B 1.793 ambi=2 { CB:47.43 } atom: 216 22E-HG3 G 2.563 ambi=2 { CG:36.65 } :: atom: 169 18L-HB3 B 1.302 ambi=2 { CB:47.43 } atom: 215 22E-HG2 G 2.24 ambi=2 { CG:36.65 } :: atom: 169 18L-HB3 B 1.302 ambi=2 { CB:47.43 } atom: 216 22E-HG3 G 2.563 ambi=2 { CG:36.65 } ::sumAvg: 3.425 atom: 168 18L-HB2 B 1.793 ambi=2 { CB:47.43 } atom: 223 23L-HA A 3.935 ambi=1 { CA:58.24 } :: atom: 169 18L-HB3 B 1.302 ambi=2 { CB:47.43 } atom: 223 23L-HA A 3.935 ambi=1 { CA:58.24 } ::sumAvg: 4.615 atom: 223 23L-HA A 3.935 ambi=1 { CA:58.24 } atom: 168 18L-HB2 B 1.793 ambi=2 { CB:47.43 } :: atom: 223 23L-HA A 3.935 ambi=1 { CA:58.24 } atom: 169 18L-HB3 B 1.302 ambi=2 { CB:47.43 } ::sumAvg: 4.615 atom: 168 18L-HB2 B 1.793 ambi=2 { CB:47.43 } atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } :: atom: 168 18L-HB2 B 1.793 ambi=2 { CB:47.43 } atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } :: atom: 169 18L-HB3 B 1.302 ambi=2 { CB:47.43 } atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } ::sumAvg: 4.395 atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } atom: 168 18L-HB2 B 1.793 ambi=2 { CB:47.43 } :: atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } atom: 168 18L-HB2 B 1.793 ambi=2 { CB:47.43 } :: atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } atom: 169 18L-HB3 B 1.302 ambi=2 { CB:47.43 } ::sumAvg: 4.395 atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } atom: 168 18L-HB2 B 1.793 ambi=2 { CB:47.43 } :: atom: 228 23L-HD2 D2 0.779 ambi=2 { CD2:24.24 } atom: 168 18L-HB2 B 1.793 ambi=2 { CB:47.43 } :: atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } atom: 169 18L-HB3 B 1.302 ambi=2 { CB:47.43 } :: atom: 228 23L-HD2 D2 0.779 ambi=2 { CD2:24.24 } atom: 169 18L-HB3 B 1.302 ambi=2 { CB:47.43 } ::sumAvg: 4.225 atom: 169 18L-HB3 B 1.302 ambi=2 { CB:47.43 } atom: 563 54V-HB B 1.88 ambi=1 { CB:33.09 } ::sumAvg: 4.7 atom: 170 18L-HG G 1.446 ambi=1 { CG:26.73 } atom: 180 19N-H N 8.92 ambi=1 { N:118.7 } ::sumAvg: 4.955 atom: 170 18L-HG G 1.446 ambi=1 { CG:26.73 } atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } :: atom: 170 18L-HG G 1.446 ambi=1 { CG:26.73 } atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } ::sumAvg: 4.735 atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } atom: 170 18L-HG G 1.446 ambi=1 { CG:26.73 } :: atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } atom: 170 18L-HG G 1.446 ambi=1 { CG:26.73 } ::sumAvg: 4.735 atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } :: atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } ::sumAvg: 4.575 atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } :: atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } ::sumAvg: 4.575 atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } atom: 211 22E-H N 8.75 ambi=1 { N:121.238 } :: atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } atom: 211 22E-H N 8.75 ambi=1 { N:121.238 } ::sumAvg: 4.675 atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } atom: 212 22E-HA A 4.046 ambi=1 { CA:58.55 } :: atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } atom: 212 22E-HA A 4.046 ambi=1 { CA:58.55 } ::sumAvg: 4.455 atom: 212 22E-HA A 4.046 ambi=1 { CA:58.55 } atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } :: atom: 212 22E-HA A 4.046 ambi=1 { CA:58.55 } atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } ::sumAvg: 4.455 atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } atom: 215 22E-HG2 G 2.24 ambi=2 { CG:36.65 } :: atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } atom: 216 22E-HG3 G 2.563 ambi=2 { CG:36.65 } :: atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } atom: 215 22E-HG2 G 2.24 ambi=2 { CG:36.65 } :: atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } atom: 216 22E-HG3 G 2.563 ambi=2 { CG:36.65 } ::sumAvg: 3.67 atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } atom: 222 23L-H N 8.766 ambi=1 { N:123.9 } :: atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } atom: 222 23L-H N 8.766 ambi=1 { N:123.9 } ::sumAvg: 3.37 atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } :: atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } :: atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } :: atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } ::sumAvg: 3.725 atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } atom: 226 23L-HG G 1.621 ambi=1 { CG:26.83 } :: atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } atom: 226 23L-HG G 1.621 ambi=1 { CG:26.83 } ::sumAvg: 3.755 atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } atom: 258 26A-H N 8.712 ambi=1 { N:126.1 } :: atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } atom: 258 26A-H N 8.712 ambi=1 { N:126.1 } ::sumAvg: 4.695 atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } atom: 561 54V-H N 9.223 ambi=1 { N:126.2 } :: atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } atom: 561 54V-H N 9.223 ambi=1 { N:126.2 } ::sumAvg: 4.585 atom: 171 18L-HD1 D1 0.86 ambi=2 { CD1:23.86 } atom: 563 54V-HB B 1.88 ambi=1 { CB:33.09 } :: atom: 172 18L-HD2 D2 0.656 ambi=2 { CD2:26.51 } atom: 563 54V-HB B 1.88 ambi=1 { CB:33.09 } ::sumAvg: 4.02 atom: 553 53T-HA A 4.521 ambi=1 { CA:62.11 } atom: 180 19N-H N 8.92 ambi=1 { N:118.7 } ::sumAvg: 4.35 atom: 555 53T-HG2 G2 1.083 ambi=1 { CG2:22.27 } atom: 180 19N-H N 8.92 ambi=1 { N:118.7 } ::sumAvg: 4.43 atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } atom: 184 19N-HD21 D2 7.16 ambi=2 { ND2:112.1 } :: atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } atom: 185 19N-HD22 D2 7.38 ambi=2 { ND2:112.1 } ::sumAvg: 4.285 atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } atom: 192 20V-HA A 3.297 ambi=1 { CA:67.36 } ::sumAvg: 4.315 atom: 192 20V-HA A 3.297 ambi=1 { CA:67.36 } atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } ::sumAvg: 4.315 atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } atom: 202 21T-H N 7.23 ambi=1 { N:117.4 } ::sumAvg: 4.43 atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } atom: 211 22E-H N 8.75 ambi=1 { N:121.238 } ::sumAvg: 4.755 atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } :: atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } ::sumAvg: 4.785 atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } atom: 543 52T-H N 7.503 ambi=1 { N:117.7 } ::sumAvg: 4.96 atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } atom: 546 52T-HG2 G2 1.149 ambi=1 { CG2:21.18 } ::sumAvg: 4.59 atom: 546 52T-HG2 G2 1.149 ambi=1 { CG2:21.18 } atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } ::sumAvg: 4.59 atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } atom: 552 53T-H N 8.354 ambi=1 { N:120.7 } ::sumAvg: 4.7 atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } atom: 554 53T-HB B 3.952 ambi=1 { CB:70.38 } ::sumAvg: 4.455 atom: 554 53T-HB B 3.952 ambi=1 { CB:70.38 } atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } ::sumAvg: 4.455 atom: 563 54V-HB B 1.88 ambi=1 { CB:33.09 } atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } ::sumAvg: 4.46 atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } :: atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } atom: 181 19N-HA A 5.768 ambi=1 { CA:51.65 } ::sumAvg: 3.38 atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } atom: 192 20V-HA A 3.297 ambi=1 { CA:67.36 } ::sumAvg: 4.885 atom: 192 20V-HA A 3.297 ambi=1 { CA:67.36 } atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } ::sumAvg: 4.885 atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } :: atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } ::sumAvg: 4.325 atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } :: atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } ::sumAvg: 4.325 atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } :: atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } :: atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } :: atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } ::sumAvg: 3.97 atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } :: atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } :: atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } :: atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } ::sumAvg: 3.97 atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } atom: 204 21T-HB B 4.357 ambi=1 { CB:68.46 } :: atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } atom: 204 21T-HB B 4.357 ambi=1 { CB:68.46 } ::sumAvg: 3.71 atom: 204 21T-HB B 4.357 ambi=1 { CB:68.46 } atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } :: atom: 204 21T-HB B 4.357 ambi=1 { CB:68.46 } atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } ::sumAvg: 3.71 atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } atom: 211 22E-H N 8.75 ambi=1 { N:121.238 } :: atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } atom: 211 22E-H N 8.75 ambi=1 { N:121.238 } ::sumAvg: 3.34 atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } :: atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } :: atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } ::sumAvg: 3.975 atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } :: atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } :: atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } ::sumAvg: 3.975 atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } atom: 215 22E-HG2 G 2.24 ambi=2 { CG:36.65 } :: atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } atom: 216 22E-HG3 G 2.563 ambi=2 { CG:36.65 } :: atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } atom: 215 22E-HG2 G 2.24 ambi=2 { CG:36.65 } ::sumAvg: 4.16 atom: 215 22E-HG2 G 2.24 ambi=2 { CG:36.65 } atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } :: atom: 216 22E-HG3 G 2.563 ambi=2 { CG:36.65 } atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } :: atom: 215 22E-HG2 G 2.24 ambi=2 { CG:36.65 } atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } ::sumAvg: 4.16 atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } atom: 222 23L-H N 8.766 ambi=1 { N:123.9 } :: atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } atom: 222 23L-H N 8.766 ambi=1 { N:123.9 } ::sumAvg: 4.985 atom: 530 50D-QB B 2.7 ambi=2 { CB:40.35 } atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } ::sumAvg: 4.565 atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } atom: 555 53T-HG2 G2 1.083 ambi=1 { CG2:22.27 } :: atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } atom: 555 53T-HG2 G2 1.083 ambi=1 { CG2:22.27 } ::sumAvg: 4.065 atom: 555 53T-HG2 G2 1.083 ambi=1 { CG2:22.27 } atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } :: atom: 555 53T-HG2 G2 1.083 ambi=1 { CG2:22.27 } atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } ::sumAvg: 4.065 atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } atom: 561 54V-H N 9.223 ambi=1 { N:126.2 } :: atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } atom: 561 54V-H N 9.223 ambi=1 { N:126.2 } ::sumAvg: 4.835 atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } :: atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } :: atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } :: atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } ::sumAvg: 4.97 atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } :: atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } atom: 182 19N-HB2 B 3.426 ambi=2 { CB:38.43 } :: atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } :: atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } atom: 183 19N-HB3 B 2.706 ambi=2 { CB:38.43 } ::sumAvg: 4.97 atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } atom: 184 19N-HD21 D2 7.16 ambi=2 { ND2:112.1 } :: atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } atom: 185 19N-HD22 D2 7.38 ambi=2 { ND2:112.1 } ::sumAvg: 4.265 atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } atom: 184 19N-HD21 D2 7.16 ambi=2 { ND2:112.1 } :: atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } atom: 184 19N-HD21 D2 7.16 ambi=2 { ND2:112.1 } :: atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } atom: 185 19N-HD22 D2 7.38 ambi=2 { ND2:112.1 } :: atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } atom: 185 19N-HD22 D2 7.38 ambi=2 { ND2:112.1 } ::sumAvg: 4.77 atom: 529 50D-HA A 4.561 ambi=1 { CA:56.1 } atom: 184 19N-HD21 D2 7.16 ambi=2 { ND2:112.1 } :: atom: 529 50D-HA A 4.561 ambi=1 { CA:56.1 } atom: 185 19N-HD22 D2 7.38 ambi=2 { ND2:112.1 } ::sumAvg: 3.02 atom: 530 50D-QB B 2.7 ambi=2 { CB:40.35 } atom: 184 19N-HD21 D2 7.16 ambi=2 { ND2:112.1 } :: atom: 530 50D-QB B 2.7 ambi=2 { CB:40.35 } atom: 185 19N-HD22 D2 7.38 ambi=2 { ND2:112.1 } ::sumAvg: 4.14 atom: 515 49F-HB3 B 3.42 ambi=1 { CB:36.82 } atom: 191 20V-H N 7.805 ambi=1 { N:117.9 } ::sumAvg: 4.65 atom: 529 50D-HA A 4.561 ambi=1 { CA:56.1 } atom: 191 20V-H N 7.805 ambi=1 { N:117.9 } ::sumAvg: 4.38 atom: 546 52T-HG2 G2 1.149 ambi=1 { CG2:21.18 } atom: 191 20V-H N 7.805 ambi=1 { N:117.9 } ::sumAvg: 4.02 atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } atom: 191 20V-H N 7.805 ambi=1 { N:117.9 } :: atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } atom: 191 20V-H N 7.805 ambi=1 { N:117.9 } ::sumAvg: 3.27 atom: 192 20V-HA A 3.297 ambi=1 { CA:67.36 } atom: 226 23L-HG G 1.621 ambi=1 { CG:26.83 } ::sumAvg: 3.995 atom: 226 23L-HG G 1.621 ambi=1 { CG:26.83 } atom: 192 20V-HA A 3.297 ambi=1 { CA:67.36 } ::sumAvg: 3.995 atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } atom: 192 20V-HA A 3.297 ambi=1 { CA:67.36 } :: atom: 228 23L-HD2 D2 0.779 ambi=2 { CD2:24.24 } atom: 192 20V-HA A 3.297 ambi=1 { CA:67.36 } ::sumAvg: 3.105 atom: 192 20V-HA A 3.297 ambi=1 { CA:67.36 } atom: 236 24L-H N 8.305 ambi=1 { N:117.1 } ::sumAvg: 4.06 atom: 241 24L-HD1 D1 0.413 ambi=2 { CD1:23.577 } atom: 192 20V-HA A 3.297 ambi=1 { CA:67.36 } :: atom: 242 24L-HD2 D2 0.785 ambi=2 { CD2:26.07 } atom: 192 20V-HA A 3.297 ambi=1 { CA:67.36 } ::sumAvg: 4.73 atom: 563 54V-HB B 1.88 ambi=1 { CB:33.09 } atom: 192 20V-HA A 3.297 ambi=1 { CA:67.36 } ::sumAvg: 4.675 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 192 20V-HA A 3.297 ambi=1 { CA:67.36 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 192 20V-HA A 3.297 ambi=1 { CA:67.36 } ::sumAvg: 4.93 atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } atom: 203 21T-HA A 3.665 ambi=1 { CA:67.077 } ::sumAvg: 4.295 atom: 203 21T-HA A 3.665 ambi=1 { CA:67.077 } atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } ::sumAvg: 4.295 atom: 241 24L-HD1 D1 0.413 ambi=2 { CD1:23.577 } atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } :: atom: 242 24L-HD2 D2 0.785 ambi=2 { CD2:26.07 } atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } ::sumAvg: 4.835 atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } :: atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } ::sumAvg: 4.86 atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } :: atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } ::sumAvg: 4.86 atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } ::sumAvg: 4.625 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } ::sumAvg: 4.625 atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } atom: 512 49F-H N 8.002 ambi=1 { N:123.801 } ::sumAvg: 4.755 atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } atom: 528 50D-H N 8.558 ambi=1 { N:115.5 } ::sumAvg: 4.85 atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } atom: 529 50D-HA A 4.561 ambi=1 { CA:56.1 } ::sumAvg: 4.84 atom: 529 50D-HA A 4.561 ambi=1 { CA:56.1 } atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } ::sumAvg: 4.84 atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } atom: 543 52T-H N 7.503 ambi=1 { N:117.7 } ::sumAvg: 4.785 atom: 193 20V-HB B 1.926 ambi=1 { CB:30.94 } atom: 546 52T-HG2 G2 1.149 ambi=1 { CG2:21.18 } ::sumAvg: 4.84 atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } atom: 203 21T-HA A 3.665 ambi=1 { CA:67.077 } :: atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } atom: 203 21T-HA A 3.665 ambi=1 { CA:67.077 } ::sumAvg: 3.73 atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } atom: 222 23L-H N 8.766 ambi=1 { N:123.9 } :: atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } atom: 222 23L-H N 8.766 ambi=1 { N:123.9 } ::sumAvg: 4.605 atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } :: atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } :: atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } :: atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } ::sumAvg: 3.375 atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } :: atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } :: atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } :: atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } ::sumAvg: 3.375 atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } :: atom: 228 23L-HD2 D2 0.779 ambi=2 { CD2:24.24 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } ::sumAvg: 3.17 atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } atom: 236 24L-H N 8.305 ambi=1 { N:117.1 } :: atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } atom: 236 24L-H N 8.305 ambi=1 { N:117.1 } ::sumAvg: 3.805 atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } :: atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } ::sumAvg: 4.36 atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } :: atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } ::sumAvg: 4.36 atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } :: atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } ::sumAvg: 2.575 atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } :: atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } :: atom: 407 39L-HB3 B 0.9298 ambi=2 { CB:45.64 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } ::sumAvg: 4.48 atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } :: atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } ::sumAvg: 3.3 atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } :: atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } ::sumAvg: 3.3 atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } atom: 457 44L-HB2 B 2.053 ambi=2 { CB:44.08 } :: atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } atom: 458 44L-HB3 B 1.591 ambi=2 { CB:44.08 } :: atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } atom: 457 44L-HB2 B 2.053 ambi=2 { CB:44.08 } :: atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } atom: 458 44L-HB3 B 1.591 ambi=2 { CB:44.08 } ::sumAvg: 4.01 atom: 457 44L-HB2 B 2.053 ambi=2 { CB:44.08 } atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } :: atom: 458 44L-HB3 B 1.591 ambi=2 { CB:44.08 } atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } :: atom: 457 44L-HB2 B 2.053 ambi=2 { CB:44.08 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } :: atom: 458 44L-HB3 B 1.591 ambi=2 { CB:44.08 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } ::sumAvg: 4.01 atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } atom: 459 44L-HG G 0.87 ambi=1 { CG:27.599 } ::sumAvg: 3.355 atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } ::sumAvg: 3.08 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } ::sumAvg: 3.08 atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } :: atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } ::sumAvg: 4.725 atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } :: atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } ::sumAvg: 4.725 atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } atom: 512 49F-H N 8.002 ambi=1 { N:123.801 } :: atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } atom: 512 49F-H N 8.002 ambi=1 { N:123.801 } ::sumAvg: 4.93 atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } atom: 544 52T-HA A 4.376 ambi=1 { CA:63.45 } :: atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } atom: 544 52T-HA A 4.376 ambi=1 { CA:63.45 } ::sumAvg: 4.6 atom: 544 52T-HA A 4.376 ambi=1 { CA:63.45 } atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } :: atom: 544 52T-HA A 4.376 ambi=1 { CA:63.45 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } ::sumAvg: 4.6 atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } atom: 552 53T-H N 8.354 ambi=1 { N:120.7 } :: atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } atom: 552 53T-H N 8.354 ambi=1 { N:120.7 } ::sumAvg: 4.97 atom: 194 20V-HG1 G1 0.734 ambi=2 { CG1:23.28 } atom: 561 54V-H N 9.223 ambi=1 { N:126.2 } :: atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } atom: 561 54V-H N 9.223 ambi=1 { N:126.2 } ::sumAvg: 4.23 atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } :: atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } ::sumAvg: 2.22 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 195 20V-HG2 G2 -0.013 ambi=2 { CG2:21.14 } ::sumAvg: 3.42 atom: 241 24L-HD1 D1 0.413 ambi=2 { CD1:23.577 } atom: 202 21T-H N 7.23 ambi=1 { N:117.4 } :: atom: 242 24L-HD2 D2 0.785 ambi=2 { CD2:26.07 } atom: 202 21T-H N 7.23 ambi=1 { N:117.4 } ::sumAvg: 4.92 atom: 529 50D-HA A 4.561 ambi=1 { CA:56.1 } atom: 202 21T-H N 7.23 ambi=1 { N:117.4 } ::sumAvg: 3.395 atom: 530 50D-QB B 2.7 ambi=2 { CB:40.35 } atom: 202 21T-H N 7.23 ambi=1 { N:117.4 } ::sumAvg: 4.81 atom: 204 21T-HB B 4.357 ambi=1 { CB:68.46 } atom: 203 21T-HA A 3.665 ambi=1 { CA:67.077 } ::sumAvg: 3.025 atom: 203 21T-HA A 3.665 ambi=1 { CA:67.077 } atom: 330 32A-HB B 1.348 ambi=1 { CB:18.647 } ::sumAvg: 4.715 atom: 330 32A-HB B 1.348 ambi=1 { CB:18.647 } atom: 203 21T-HA A 3.665 ambi=1 { CA:67.077 } ::sumAvg: 4.715 atom: 203 21T-HA A 3.665 ambi=1 { CA:67.077 } atom: 516 49F-QD D 7.046 ambi=3 { CD1:129.618 } ::sumAvg: 3.83 atom: 204 21T-HB B 4.357 ambi=1 { CB:68.46 } atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } :: atom: 204 21T-HB B 4.357 ambi=1 { CB:68.46 } atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } ::sumAvg: 4.735 atom: 204 21T-HB B 4.357 ambi=1 { CB:68.46 } atom: 515 49F-HB3 B 3.42 ambi=1 { CB:36.82 } ::sumAvg: 4.57 atom: 204 21T-HB B 4.357 ambi=1 { CB:68.46 } atom: 530 50D-QB B 2.7 ambi=2 { CB:40.35 } ::sumAvg: 4.02 atom: 530 50D-QB B 2.7 ambi=2 { CB:40.35 } atom: 204 21T-HB B 4.357 ambi=1 { CB:68.46 } ::sumAvg: 4.02 atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } :: atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } ::sumAvg: 4.95 atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } atom: 236 24L-H N 8.305 ambi=1 { N:117.1 } ::sumAvg: 4.815 atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } atom: 238 24L-HB2 B 2.019 ambi=2 { CB:41.32 } ::sumAvg: 4.565 atom: 238 24L-HB2 B 2.019 ambi=2 { CB:41.32 } atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } ::sumAvg: 4.565 atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } atom: 240 24L-HG G 1.864 ambi=1 { CG:26.61 } ::sumAvg: 4.97 atom: 240 24L-HG G 1.864 ambi=1 { CG:26.61 } atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } ::sumAvg: 4.97 atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } atom: 241 24L-HD1 D1 0.413 ambi=2 { CD1:23.577 } :: atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } atom: 242 24L-HD2 D2 0.785 ambi=2 { CD2:26.07 } ::sumAvg: 3.925 atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } atom: 252 25S-QB B 3.949 ambi=2 { CB:62.85 } ::sumAvg: 3.9 atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } atom: 514 49F-HB2 B 3.327 ambi=1 { CB:36.82 } :: atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } atom: 515 49F-HB3 B 3.42 ambi=1 { CB:36.82 } ::sumAvg: 4.19 atom: 514 49F-HB2 B 3.327 ambi=1 { CB:36.82 } atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } :: atom: 515 49F-HB3 B 3.42 ambi=1 { CB:36.82 } atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } ::sumAvg: 4.19 atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } atom: 516 49F-QD D 7.046 ambi=3 { CD1:129.618 } ::sumAvg: 4.78 atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } atom: 529 50D-HA A 4.561 ambi=1 { CA:56.1 } ::sumAvg: 4.5 atom: 529 50D-HA A 4.561 ambi=1 { CA:56.1 } atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } ::sumAvg: 4.5 atom: 205 21T-HG2 G2 1.26 ambi=1 { CG2:22.79 } atom: 530 50D-QB B 2.7 ambi=2 { CB:40.35 } ::sumAvg: 4.08 atom: 529 50D-HA A 4.561 ambi=1 { CA:56.1 } atom: 211 22E-H N 8.75 ambi=1 { N:121.238 } ::sumAvg: 4.795 atom: 212 22E-HA A 4.046 ambi=1 { CA:58.55 } atom: 236 24L-H N 8.305 ambi=1 { N:117.1 } ::sumAvg: 4.535 atom: 212 22E-HA A 4.046 ambi=1 { CA:58.55 } atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } ::sumAvg: 4.955 atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } atom: 212 22E-HA A 4.046 ambi=1 { CA:58.55 } ::sumAvg: 4.955 atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } atom: 223 23L-HA A 3.935 ambi=1 { CA:58.24 } :: atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } atom: 223 23L-HA A 3.935 ambi=1 { CA:58.24 } ::sumAvg: 4.33 atom: 223 23L-HA A 3.935 ambi=1 { CA:58.24 } atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } :: atom: 223 23L-HA A 3.935 ambi=1 { CA:58.24 } atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } ::sumAvg: 4.33 atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } :: atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } ::sumAvg: 4.85 atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } :: atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } ::sumAvg: 4.85 atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } atom: 252 25S-QB B 3.949 ambi=2 { CB:62.85 } :: atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } atom: 252 25S-QB B 3.949 ambi=2 { CB:62.85 } ::sumAvg: 4.42 atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } atom: 258 26A-H N 8.712 ambi=1 { N:126.1 } :: atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } atom: 258 26A-H N 8.712 ambi=1 { N:126.1 } ::sumAvg: 4.895 atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } :: atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } ::sumAvg: 4.46 atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } atom: 213 22E-HB2 B 2.335 ambi=2 { CB:30.55 } :: atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } atom: 214 22E-HB3 B 1.938 ambi=2 { CB:30.55 } ::sumAvg: 4.46 atom: 215 22E-HG2 G 2.24 ambi=2 { CG:36.65 } atom: 252 25S-QB B 3.949 ambi=2 { CB:62.85 } :: atom: 216 22E-HG3 G 2.563 ambi=2 { CG:36.65 } atom: 252 25S-QB B 3.949 ambi=2 { CB:62.85 } ::sumAvg: 4.785 atom: 252 25S-QB B 3.949 ambi=2 { CB:62.85 } atom: 215 22E-HG2 G 2.24 ambi=2 { CG:36.65 } :: atom: 252 25S-QB B 3.949 ambi=2 { CB:62.85 } atom: 216 22E-HG3 G 2.563 ambi=2 { CG:36.65 } ::sumAvg: 4.785 atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } atom: 222 23L-H N 8.766 ambi=1 { N:123.9 } :: atom: 228 23L-HD2 D2 0.779 ambi=2 { CD2:24.24 } atom: 222 23L-H N 8.766 ambi=1 { N:123.9 } ::sumAvg: 3.685 atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } atom: 222 23L-H N 8.766 ambi=1 { N:123.9 } ::sumAvg: 4.735 atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } atom: 222 23L-H N 8.766 ambi=1 { N:123.9 } :: atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } atom: 222 23L-H N 8.766 ambi=1 { N:123.9 } ::sumAvg: 4.755 atom: 226 23L-HG G 1.621 ambi=1 { CG:26.83 } atom: 223 23L-HA A 3.935 ambi=1 { CA:58.24 } ::sumAvg: 3.095 atom: 223 23L-HA A 3.935 ambi=1 { CA:58.24 } atom: 258 26A-H N 8.712 ambi=1 { N:126.1 } ::sumAvg: 3.33 atom: 270 27L-HD1 D1 0.442 ambi=2 { CD1:23.11 } atom: 223 23L-HA A 3.935 ambi=1 { CA:58.24 } :: atom: 271 27L-HD2 D2 0.825 ambi=2 { CD2:22.14 } atom: 223 23L-HA A 3.935 ambi=1 { CA:58.24 } ::sumAvg: 4.74 atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } :: atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } ::sumAvg: 4.295 atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } :: atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } ::sumAvg: 4.295 atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } atom: 239 24L-HB3 B 1.17 ambi=2 { CB:41.32 } :: atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } atom: 238 24L-HB2 B 2.019 ambi=2 { CB:41.32 } ::sumAvg: 4.59 atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } atom: 241 24L-HD1 D1 0.413 ambi=2 { CD1:23.577 } :: atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } atom: 242 24L-HD2 D2 0.785 ambi=2 { CD2:26.07 } :: atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } atom: 241 24L-HD1 D1 0.413 ambi=2 { CD1:23.577 } :: atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } atom: 242 24L-HD2 D2 0.785 ambi=2 { CD2:26.07 } ::sumAvg: 4.015 atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } atom: 250 25S-H N 7.226 ambi=1 { N:111.5 } :: atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } atom: 250 25S-H N 7.226 ambi=1 { N:111.5 } ::sumAvg: 4.825 atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } ::sumAvg: 4.65 atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } ::sumAvg: 4.65 atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } atom: 563 54V-HB B 1.88 ambi=1 { CB:33.09 } ::sumAvg: 4.565 atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } :: atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } :: atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } :: atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } ::sumAvg: 4.48 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 224 23L-HB2 B 2.204 ambi=2 { CB:41.844 } :: atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 225 23L-HB3 B 1.361 ambi=2 { CB:41.844 } ::sumAvg: 4.48 atom: 226 23L-HG G 1.621 ambi=1 { CG:26.83 } atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } :: atom: 226 23L-HG G 1.621 ambi=1 { CG:26.83 } atom: 228 23L-HD2 D2 0.779 ambi=2 { CD2:24.24 } ::sumAvg: 2.115 atom: 226 23L-HG G 1.621 ambi=1 { CG:26.83 } atom: 236 24L-H N 8.305 ambi=1 { N:117.1 } ::sumAvg: 4.185 atom: 226 23L-HG G 1.621 ambi=1 { CG:26.83 } atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } :: atom: 226 23L-HG G 1.621 ambi=1 { CG:26.83 } atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } ::sumAvg: 3.925 atom: 226 23L-HG G 1.621 ambi=1 { CG:26.83 } atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } :: atom: 226 23L-HG G 1.621 ambi=1 { CG:26.83 } atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } ::sumAvg: 4.745 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 226 23L-HG G 1.621 ambi=1 { CG:26.83 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 226 23L-HG G 1.621 ambi=1 { CG:26.83 } ::sumAvg: 4.745 atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } atom: 236 24L-H N 8.305 ambi=1 { N:117.1 } :: atom: 228 23L-HD2 D2 0.779 ambi=2 { CD2:24.24 } atom: 236 24L-H N 8.305 ambi=1 { N:117.1 } ::sumAvg: 3.915 atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } :: atom: 228 23L-HD2 D2 0.779 ambi=2 { CD2:24.24 } atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } ::sumAvg: 4.405 atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } atom: 241 24L-HD1 D1 0.413 ambi=2 { CD1:23.577 } ::sumAvg: 4.15 atom: 241 24L-HD1 D1 0.413 ambi=2 { CD1:23.577 } atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } ::sumAvg: 4.15 atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } atom: 258 26A-H N 8.712 ambi=1 { N:126.1 } :: atom: 228 23L-HD2 D2 0.779 ambi=2 { CD2:24.24 } atom: 258 26A-H N 8.712 ambi=1 { N:126.1 } ::sumAvg: 4.495 atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } :: atom: 228 23L-HD2 D2 0.779 ambi=2 { CD2:24.24 } atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } ::sumAvg: 3.23 atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } :: atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } atom: 228 23L-HD2 D2 0.779 ambi=2 { CD2:24.24 } ::sumAvg: 3.23 atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } atom: 265 27L-H N 8.05 ambi=1 { N:114.25 } :: atom: 228 23L-HD2 D2 0.779 ambi=2 { CD2:24.24 } atom: 265 27L-H N 8.05 ambi=1 { N:114.25 } ::sumAvg: 4.13 atom: 269 27L-HG G 1.664 ambi=1 { CG:27.08 } atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } :: atom: 269 27L-HG G 1.664 ambi=1 { CG:27.08 } atom: 228 23L-HD2 D2 0.779 ambi=2 { CD2:24.24 } ::sumAvg: 4.205 atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } atom: 270 27L-HD1 D1 0.442 ambi=2 { CD1:23.11 } ::sumAvg: 3.48 atom: 270 27L-HD1 D1 0.442 ambi=2 { CD1:23.11 } atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } ::sumAvg: 3.48 atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } ::sumAvg: 4.17 atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } ::sumAvg: 4.17 atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } atom: 563 54V-HB B 1.88 ambi=1 { CB:33.09 } :: atom: 228 23L-HD2 D2 0.779 ambi=2 { CD2:24.24 } atom: 563 54V-HB B 1.88 ambi=1 { CB:33.09 } ::sumAvg: 3.35 atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } atom: 620 60V-HB B 1.875 ambi=1 { CB:33.64 } :: atom: 228 23L-HD2 D2 0.779 ambi=2 { CD2:24.24 } atom: 620 60V-HB B 1.875 ambi=1 { CB:33.64 } ::sumAvg: 3.665 atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } atom: 644 62F-QD D 7.058 ambi=3 { CD1:131.039 } :: atom: 228 23L-HD2 D2 0.779 ambi=2 { CD2:24.24 } atom: 644 62F-QD D 7.058 ambi=3 { CD1:131.039 } ::sumAvg: 4.055 atom: 227 23L-HD1 D1 0.875 ambi=2 { CD1:26.82 } atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } :: atom: 228 23L-HD2 D2 0.779 ambi=2 { CD2:24.24 } atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } ::sumAvg: 4.685 atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } atom: 236 24L-H N 8.305 ambi=1 { N:117.1 } ::sumAvg: 4.88 atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } atom: 251 25S-HA A 4.304 ambi=1 { CA:60.9 } ::sumAvg: 4.795 atom: 251 25S-HA A 4.304 ambi=1 { CA:60.9 } atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } ::sumAvg: 4.795 atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } atom: 258 26A-H N 8.712 ambi=1 { N:126.1 } ::sumAvg: 4.44 atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } ::sumAvg: 4.865 atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } ::sumAvg: 4.865 atom: 269 27L-HG G 1.664 ambi=1 { CG:27.08 } atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } ::sumAvg: 4.745 atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } atom: 279 28K-H N 7.766 ambi=1 { N:117.7 } ::sumAvg: 4.57 atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } atom: 296 29V-H N 7.583 ambi=1 { N:119.2 } ::sumAvg: 4.205 atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } atom: 298 29V-HB B 1.519 ambi=1 { CB:31.84 } ::sumAvg: 4.105 atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } ::sumAvg: 4.19 atom: 237 24L-HA A 3.69 ambi=1 { CA:58.01 } atom: 648 62F-HZ Z 6.78 ambi=1 { CZ:128.1 } ::sumAvg: 4.915 atom: 240 24L-HG G 1.864 ambi=1 { CG:26.61 } atom: 239 24L-HB3 B 1.17 ambi=2 { CB:41.32 } ::sumAvg: 2.515 atom: 238 24L-HB2 B 2.019 ambi=2 { CB:41.32 } atom: 251 25S-HA A 4.304 ambi=1 { CA:60.9 } :: atom: 239 24L-HB3 B 1.17 ambi=2 { CB:41.32 } atom: 251 25S-HA A 4.304 ambi=1 { CA:60.9 } ::sumAvg: 4.37 atom: 251 25S-HA A 4.304 ambi=1 { CA:60.9 } atom: 238 24L-HB2 B 2.019 ambi=2 { CB:41.32 } :: atom: 251 25S-HA A 4.304 ambi=1 { CA:60.9 } atom: 239 24L-HB3 B 1.17 ambi=2 { CB:41.32 } ::sumAvg: 4.37 atom: 238 24L-HB2 B 2.019 ambi=2 { CB:41.32 } atom: 252 25S-QB B 3.949 ambi=2 { CB:62.85 } :: atom: 239 24L-HB3 B 1.17 ambi=2 { CB:41.32 } atom: 252 25S-QB B 3.949 ambi=2 { CB:62.85 } ::sumAvg: 4.625 atom: 238 24L-HB2 B 2.019 ambi=2 { CB:41.32 } atom: 296 29V-H N 7.583 ambi=1 { N:119.2 } :: atom: 239 24L-HB3 B 1.17 ambi=2 { CB:41.32 } atom: 296 29V-H N 7.583 ambi=1 { N:119.2 } ::sumAvg: 4.72 atom: 238 24L-HB2 B 2.019 ambi=2 { CB:41.32 } atom: 298 29V-HB B 1.519 ambi=1 { CB:31.84 } ::sumAvg: 4.28 atom: 298 29V-HB B 1.519 ambi=1 { CB:31.84 } atom: 238 24L-HB2 B 2.019 ambi=2 { CB:41.32 } ::sumAvg: 4.28 atom: 329 32A-HA A 3.738 ambi=1 { CA:55.01 } atom: 238 24L-HB2 B 2.019 ambi=2 { CB:41.32 } :: atom: 329 32A-HA A 3.738 ambi=1 { CA:55.01 } atom: 239 24L-HB3 B 1.17 ambi=2 { CB:41.32 } ::sumAvg: 4.91 atom: 238 24L-HB2 B 2.019 ambi=2 { CB:41.32 } atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } :: atom: 239 24L-HB3 B 1.17 ambi=2 { CB:41.32 } atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } ::sumAvg: 4.855 atom: 238 24L-HB2 B 2.019 ambi=2 { CB:41.32 } atom: 648 62F-HZ Z 6.78 ambi=1 { CZ:128.1 } :: atom: 239 24L-HB3 B 1.17 ambi=2 { CB:41.32 } atom: 648 62F-HZ Z 6.78 ambi=1 { CZ:128.1 } ::sumAvg: 4.885 atom: 240 24L-HG G 1.864 ambi=1 { CG:26.61 } atom: 250 25S-H N 7.226 ambi=1 { N:111.5 } ::sumAvg: 3.975 atom: 240 24L-HG G 1.864 ambi=1 { CG:26.61 } atom: 329 32A-HA A 3.738 ambi=1 { CA:55.01 } ::sumAvg: 4.73 atom: 240 24L-HG G 1.864 ambi=1 { CG:26.61 } atom: 330 32A-HB B 1.348 ambi=1 { CB:18.647 } ::sumAvg: 4.44 atom: 330 32A-HB B 1.348 ambi=1 { CB:18.647 } atom: 240 24L-HG G 1.864 ambi=1 { CG:26.61 } ::sumAvg: 4.44 atom: 240 24L-HG G 1.864 ambi=1 { CG:26.61 } atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } :: atom: 240 24L-HG G 1.864 ambi=1 { CG:26.61 } atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } ::sumAvg: 3.8 atom: 240 24L-HG G 1.864 ambi=1 { CG:26.61 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } ::sumAvg: 4.955 atom: 240 24L-HG G 1.864 ambi=1 { CG:26.61 } atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } ::sumAvg: 4.89 atom: 241 24L-HD1 D1 0.413 ambi=2 { CD1:23.577 } atom: 250 25S-H N 7.226 ambi=1 { N:111.5 } :: atom: 242 24L-HD2 D2 0.785 ambi=2 { CD2:26.07 } atom: 250 25S-H N 7.226 ambi=1 { N:111.5 } ::sumAvg: 3.545 atom: 251 25S-HA A 4.304 ambi=1 { CA:60.9 } atom: 241 24L-HD1 D1 0.413 ambi=2 { CD1:23.577 } :: atom: 251 25S-HA A 4.304 ambi=1 { CA:60.9 } atom: 242 24L-HD2 D2 0.785 ambi=2 { CD2:26.07 } ::sumAvg: 4.285 atom: 241 24L-HD1 D1 0.413 ambi=2 { CD1:23.577 } atom: 252 25S-QB B 3.949 ambi=2 { CB:62.85 } :: atom: 242 24L-HD2 D2 0.785 ambi=2 { CD2:26.07 } atom: 252 25S-QB B 3.949 ambi=2 { CB:62.85 } ::sumAvg: 4.455 atom: 252 25S-QB B 3.949 ambi=2 { CB:62.85 } atom: 241 24L-HD1 D1 0.413 ambi=2 { CD1:23.577 } :: atom: 252 25S-QB B 3.949 ambi=2 { CB:62.85 } atom: 242 24L-HD2 D2 0.785 ambi=2 { CD2:26.07 } ::sumAvg: 4.455 atom: 241 24L-HD1 D1 0.413 ambi=2 { CD1:23.577 } atom: 271 27L-HD2 D2 0.825 ambi=2 { CD2:22.14 } ::sumAvg: 4.02 atom: 241 24L-HD1 D1 0.413 ambi=2 { CD1:23.577 } atom: 298 29V-HB B 1.519 ambi=1 { CB:31.84 } :: atom: 242 24L-HD2 D2 0.785 ambi=2 { CD2:26.07 } atom: 298 29V-HB B 1.519 ambi=1 { CB:31.84 } ::sumAvg: 3.405 atom: 241 24L-HD1 D1 0.413 ambi=2 { CD1:23.577 } atom: 514 49F-HB2 B 3.327 ambi=1 { CB:36.82 } :: atom: 241 24L-HD1 D1 0.413 ambi=2 { CD1:23.577 } atom: 515 49F-HB3 B 3.42 ambi=1 { CB:36.82 } :: atom: 242 24L-HD2 D2 0.785 ambi=2 { CD2:26.07 } atom: 514 49F-HB2 B 3.327 ambi=1 { CB:36.82 } :: atom: 242 24L-HD2 D2 0.785 ambi=2 { CD2:26.07 } atom: 515 49F-HB3 B 3.42 ambi=1 { CB:36.82 } ::sumAvg: 3.775 atom: 241 24L-HD1 D1 0.413 ambi=2 { CD1:23.577 } atom: 516 49F-QD D 7.046 ambi=3 { CD1:129.618 } :: atom: 242 24L-HD2 D2 0.785 ambi=2 { CD2:26.07 } atom: 516 49F-QD D 7.046 ambi=3 { CD1:129.618 } ::sumAvg: 3.23 atom: 241 24L-HD1 D1 0.413 ambi=2 { CD1:23.577 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } :: atom: 242 24L-HD2 D2 0.785 ambi=2 { CD2:26.07 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } ::sumAvg: 3.62 atom: 241 24L-HD1 D1 0.413 ambi=2 { CD1:23.577 } atom: 644 62F-QD D 7.058 ambi=3 { CD1:131.039 } :: atom: 242 24L-HD2 D2 0.785 ambi=2 { CD2:26.07 } atom: 644 62F-QD D 7.058 ambi=3 { CD1:131.039 } ::sumAvg: 4.155 atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } atom: 250 25S-H N 7.226 ambi=1 { N:111.5 } ::sumAvg: 4.345 atom: 251 25S-HA A 4.304 ambi=1 { CA:60.9 } atom: 265 27L-H N 8.05 ambi=1 { N:114.25 } ::sumAvg: 4.47 atom: 251 25S-HA A 4.304 ambi=1 { CA:60.9 } atom: 279 28K-H N 7.766 ambi=1 { N:117.7 } ::sumAvg: 3.37 atom: 251 25S-HA A 4.304 ambi=1 { CA:60.9 } atom: 280 28K-HA A 3.869 ambi=1 { CA:56.63 } ::sumAvg: 3.095 atom: 251 25S-HA A 4.304 ambi=1 { CA:60.9 } atom: 281 28K-HB2 B 2.012 ambi=2 { CB:28.893 } :: atom: 251 25S-HA A 4.304 ambi=1 { CA:60.9 } atom: 282 28K-HB3 B 1.812 ambi=2 { CB:28.893 } ::sumAvg: 4.89 atom: 281 28K-HB2 B 2.012 ambi=2 { CB:28.893 } atom: 251 25S-HA A 4.304 ambi=1 { CA:60.9 } :: atom: 282 28K-HB3 B 1.812 ambi=2 { CB:28.893 } atom: 251 25S-HA A 4.304 ambi=1 { CA:60.9 } ::sumAvg: 4.89 atom: 251 25S-HA A 4.304 ambi=1 { CA:60.9 } atom: 283 28K-QG G 1.376 ambi=2 { CG:24.8 } ::sumAvg: 4.2 atom: 251 25S-HA A 4.304 ambi=1 { CA:60.9 } atom: 296 29V-H N 7.583 ambi=1 { N:119.2 } ::sumAvg: 4.065 atom: 251 25S-HA A 4.304 ambi=1 { CA:60.9 } atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } :: atom: 251 25S-HA A 4.304 ambi=1 { CA:60.9 } atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } ::sumAvg: 4.935 atom: 252 25S-QB B 3.949 ambi=2 { CB:62.85 } atom: 265 27L-H N 8.05 ambi=1 { N:114.25 } ::sumAvg: 4.945 atom: 252 25S-QB B 3.949 ambi=2 { CB:62.85 } atom: 279 28K-H N 7.766 ambi=1 { N:117.7 } ::sumAvg: 4.795 atom: 267 27L-QB B 1.655 ambi=2 { CB:42.021 } atom: 258 26A-H N 8.712 ambi=1 { N:126.1 } ::sumAvg: 4.715 atom: 259 26A-HA A 4.138 ambi=1 { CA:55.18 } atom: 265 27L-H N 8.05 ambi=1 { N:114.25 } ::sumAvg: 3.525 atom: 259 26A-HA A 4.138 ambi=1 { CA:55.18 } atom: 279 28K-H N 7.766 ambi=1 { N:117.7 } ::sumAvg: 3.97 atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } atom: 266 27L-HA A 4.314 ambi=1 { CA:54.307 } ::sumAvg: 3.97 atom: 266 27L-HA A 4.314 ambi=1 { CA:54.307 } atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } ::sumAvg: 3.97 atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } atom: 270 27L-HD1 D1 0.442 ambi=2 { CD1:23.11 } :: atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } atom: 271 27L-HD2 D2 0.825 ambi=2 { CD2:22.14 } ::sumAvg: 3.595 atom: 270 27L-HD1 D1 0.442 ambi=2 { CD1:23.11 } atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } :: atom: 271 27L-HD2 D2 0.825 ambi=2 { CD2:22.14 } atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } ::sumAvg: 3.595 atom: 260 26A-HB B 1.469 ambi=1 { CB:18.2 } atom: 279 28K-H N 7.766 ambi=1 { N:117.7 } ::sumAvg: 4.28 atom: 266 27L-HA A 4.314 ambi=1 { CA:54.307 } atom: 281 28K-HB2 B 2.012 ambi=2 { CB:28.893 } :: atom: 266 27L-HA A 4.314 ambi=1 { CA:54.307 } atom: 282 28K-HB3 B 1.812 ambi=2 { CB:28.893 } ::sumAvg: 4.45 atom: 281 28K-HB2 B 2.012 ambi=2 { CB:28.893 } atom: 266 27L-HA A 4.314 ambi=1 { CA:54.307 } :: atom: 282 28K-HB3 B 1.812 ambi=2 { CB:28.893 } atom: 266 27L-HA A 4.314 ambi=1 { CA:54.307 } ::sumAvg: 4.45 atom: 266 27L-HA A 4.314 ambi=1 { CA:54.307 } atom: 283 28K-QG G 1.376 ambi=2 { CG:24.8 } ::sumAvg: 4.89 atom: 267 27L-QB B 1.655 ambi=2 { CB:42.021 } atom: 280 28K-HA A 3.869 ambi=1 { CA:56.63 } ::sumAvg: 4.79 atom: 280 28K-HA A 3.869 ambi=1 { CA:56.63 } atom: 267 27L-QB B 1.655 ambi=2 { CB:42.021 } ::sumAvg: 4.79 atom: 267 27L-QB B 1.655 ambi=2 { CB:42.021 } atom: 296 29V-H N 7.583 ambi=1 { N:119.2 } ::sumAvg: 3.875 atom: 267 27L-QB B 1.655 ambi=2 { CB:42.021 } atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } ::sumAvg: 4.405 atom: 267 27L-QB B 1.655 ambi=2 { CB:42.021 } atom: 648 62F-HZ Z 6.78 ambi=1 { CZ:128.1 } ::sumAvg: 4.95 atom: 269 27L-HG G 1.664 ambi=1 { CG:27.08 } atom: 279 28K-H N 7.766 ambi=1 { N:117.7 } ::sumAvg: 4.46 atom: 270 27L-HD1 D1 0.442 ambi=2 { CD1:23.11 } atom: 279 28K-H N 7.766 ambi=1 { N:117.7 } :: atom: 271 27L-HD2 D2 0.825 ambi=2 { CD2:22.14 } atom: 279 28K-H N 7.766 ambi=1 { N:117.7 } ::sumAvg: 3.48 atom: 270 27L-HD1 D1 0.442 ambi=2 { CD1:23.11 } atom: 280 28K-HA A 3.869 ambi=1 { CA:56.63 } :: atom: 271 27L-HD2 D2 0.825 ambi=2 { CD2:22.14 } atom: 280 28K-HA A 3.869 ambi=1 { CA:56.63 } ::sumAvg: 4.84 atom: 280 28K-HA A 3.869 ambi=1 { CA:56.63 } atom: 270 27L-HD1 D1 0.442 ambi=2 { CD1:23.11 } :: atom: 280 28K-HA A 3.869 ambi=1 { CA:56.63 } atom: 271 27L-HD2 D2 0.825 ambi=2 { CD2:22.14 } ::sumAvg: 4.84 atom: 281 28K-HB2 B 2.012 ambi=2 { CB:28.893 } atom: 270 27L-HD1 D1 0.442 ambi=2 { CD1:23.11 } :: atom: 282 28K-HB3 B 1.812 ambi=2 { CB:28.893 } atom: 270 27L-HD1 D1 0.442 ambi=2 { CD1:23.11 } :: atom: 281 28K-HB2 B 2.012 ambi=2 { CB:28.893 } atom: 271 27L-HD2 D2 0.825 ambi=2 { CD2:22.14 } :: atom: 282 28K-HB3 B 1.812 ambi=2 { CB:28.893 } atom: 271 27L-HD2 D2 0.825 ambi=2 { CD2:22.14 } ::sumAvg: 4.975 atom: 270 27L-HD1 D1 0.442 ambi=2 { CD1:23.11 } atom: 298 29V-HB B 1.519 ambi=1 { CB:31.84 } :: atom: 271 27L-HD2 D2 0.825 ambi=2 { CD2:22.14 } atom: 298 29V-HB B 1.519 ambi=1 { CB:31.84 } ::sumAvg: 3.95 atom: 285 28K-QD D 1.67 ambi=2 { CD:29 } atom: 279 28K-H N 7.766 ambi=1 { N:117.7 } ::sumAvg: 4.125 atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } atom: 279 28K-H N 7.766 ambi=1 { N:117.7 } :: atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } atom: 279 28K-H N 7.766 ambi=1 { N:117.7 } ::sumAvg: 4.11 atom: 280 28K-HA A 3.869 ambi=1 { CA:56.63 } atom: 285 28K-QD D 1.67 ambi=2 { CD:29 } ::sumAvg: 3.075 atom: 285 28K-QD D 1.67 ambi=2 { CD:29 } atom: 280 28K-HA A 3.869 ambi=1 { CA:56.63 } ::sumAvg: 3.075 atom: 280 28K-HA A 3.869 ambi=1 { CA:56.63 } atom: 287 28K-QE E 3.06 ambi=2 { CE:42.444 } ::sumAvg: 4.465 atom: 287 28K-QE E 3.06 ambi=2 { CE:42.444 } atom: 280 28K-HA A 3.869 ambi=1 { CA:56.63 } ::sumAvg: 4.465 atom: 280 28K-HA A 3.869 ambi=1 { CA:56.63 } atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } :: atom: 280 28K-HA A 3.869 ambi=1 { CA:56.63 } atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } ::sumAvg: 4.2 atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } atom: 280 28K-HA A 3.869 ambi=1 { CA:56.63 } :: atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } atom: 280 28K-HA A 3.869 ambi=1 { CA:56.63 } ::sumAvg: 4.2 atom: 281 28K-HB2 B 2.012 ambi=2 { CB:28.893 } atom: 287 28K-QE E 3.06 ambi=2 { CE:42.444 } :: atom: 282 28K-HB3 B 1.812 ambi=2 { CB:28.893 } atom: 287 28K-QE E 3.06 ambi=2 { CE:42.444 } ::sumAvg: 3.085 atom: 287 28K-QE E 3.06 ambi=2 { CE:42.444 } atom: 281 28K-HB2 B 2.012 ambi=2 { CB:28.893 } :: atom: 287 28K-QE E 3.06 ambi=2 { CE:42.444 } atom: 282 28K-HB3 B 1.812 ambi=2 { CB:28.893 } ::sumAvg: 3.085 atom: 281 28K-HB2 B 2.012 ambi=2 { CB:28.893 } atom: 296 29V-H N 7.583 ambi=1 { N:119.2 } :: atom: 282 28K-HB3 B 1.812 ambi=2 { CB:28.893 } atom: 296 29V-H N 7.583 ambi=1 { N:119.2 } ::sumAvg: 4.205 atom: 281 28K-HB2 B 2.012 ambi=2 { CB:28.893 } atom: 297 29V-HA A 3.52 ambi=1 { CA:63.741 } :: atom: 282 28K-HB3 B 1.812 ambi=2 { CB:28.893 } atom: 297 29V-HA A 3.52 ambi=1 { CA:63.741 } ::sumAvg: 4.9 atom: 297 29V-HA A 3.52 ambi=1 { CA:63.741 } atom: 281 28K-HB2 B 2.012 ambi=2 { CB:28.893 } :: atom: 297 29V-HA A 3.52 ambi=1 { CA:63.741 } atom: 282 28K-HB3 B 1.812 ambi=2 { CB:28.893 } ::sumAvg: 4.9 atom: 283 28K-QG G 1.376 ambi=2 { CG:24.8 } atom: 296 29V-H N 7.583 ambi=1 { N:119.2 } ::sumAvg: 4.25 atom: 283 28K-QG G 1.376 ambi=2 { CG:24.8 } atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } :: atom: 283 28K-QG G 1.376 ambi=2 { CG:24.8 } atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } ::sumAvg: 4.995 atom: 285 28K-QD D 1.67 ambi=2 { CD:29 } atom: 296 29V-H N 7.583 ambi=1 { N:119.2 } ::sumAvg: 4.745 atom: 297 29V-HA A 3.52 ambi=1 { CA:63.741 } atom: 314 31Q-H N 8.982 ambi=1 { N:117.3 } ::sumAvg: 4.965 atom: 298 29V-HB B 1.519 ambi=1 { CB:31.84 } atom: 307 30A-H N 8.543 ambi=1 { N:131.1 } ::sumAvg: 4.08 atom: 329 32A-HA A 3.738 ambi=1 { CA:55.01 } atom: 298 29V-HB B 1.519 ambi=1 { CB:31.84 } ::sumAvg: 4.945 atom: 298 29V-HB B 1.519 ambi=1 { CB:31.84 } atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } :: atom: 298 29V-HB B 1.519 ambi=1 { CB:31.84 } atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } ::sumAvg: 4.62 atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } atom: 298 29V-HB B 1.519 ambi=1 { CB:31.84 } :: atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } atom: 298 29V-HB B 1.519 ambi=1 { CB:31.84 } ::sumAvg: 4.62 atom: 298 29V-HB B 1.519 ambi=1 { CB:31.84 } atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } ::sumAvg: 3.855 atom: 298 29V-HB B 1.519 ambi=1 { CB:31.84 } atom: 648 62F-HZ Z 6.78 ambi=1 { CZ:128.1 } ::sumAvg: 3.98 atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } atom: 308 30A-HA A 4.215 ambi=1 { CA:52.33 } :: atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } atom: 308 30A-HA A 4.215 ambi=1 { CA:52.33 } ::sumAvg: 4.165 atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } atom: 314 31Q-H N 8.982 ambi=1 { N:117.3 } :: atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } atom: 314 31Q-H N 8.982 ambi=1 { N:117.3 } ::sumAvg: 3.385 atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } atom: 315 31Q-HA A 4.162 ambi=1 { CA:56.1 } :: atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } atom: 315 31Q-HA A 4.162 ambi=1 { CA:56.1 } ::sumAvg: 4.87 atom: 315 31Q-HA A 4.162 ambi=1 { CA:56.1 } atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } :: atom: 315 31Q-HA A 4.162 ambi=1 { CA:56.1 } atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } ::sumAvg: 4.87 atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } :: atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } atom: 317 31Q-HB3 B 2.203 ambi=2 { CB:27.39 } :: atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } :: atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } atom: 317 31Q-HB3 B 2.203 ambi=2 { CB:27.39 } ::sumAvg: 3.255 atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } :: atom: 317 31Q-HB3 B 2.203 ambi=2 { CB:27.39 } atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } :: atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } :: atom: 317 31Q-HB3 B 2.203 ambi=2 { CB:27.39 } atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } ::sumAvg: 3.255 atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } atom: 318 31Q-QG G 2.274 ambi=2 { CG:34.39 } :: atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } atom: 318 31Q-QG G 2.274 ambi=2 { CG:34.39 } ::sumAvg: 4.3 atom: 318 31Q-QG G 2.274 ambi=2 { CG:34.39 } atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } :: atom: 318 31Q-QG G 2.274 ambi=2 { CG:34.39 } atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } ::sumAvg: 4.3 atom: 329 32A-HA A 3.738 ambi=1 { CA:55.01 } atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } :: atom: 329 32A-HA A 3.738 ambi=1 { CA:55.01 } atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } ::sumAvg: 3.39 atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } atom: 363 35V-HA A 4.689 ambi=1 { CA:61.55 } :: atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } atom: 363 35V-HA A 4.689 ambi=1 { CA:61.55 } ::sumAvg: 4.835 atom: 363 35V-HA A 4.689 ambi=1 { CA:61.55 } atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } :: atom: 363 35V-HA A 4.689 ambi=1 { CA:61.55 } atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } ::sumAvg: 4.835 atom: 364 35V-HB B 1.879 ambi=1 { CB:33.65 } atom: 299 29V-HG1 G1 0.461 ambi=2 { CG1:20.52 } :: atom: 364 35V-HB B 1.879 ambi=1 { CB:33.65 } atom: 300 29V-HG2 G2 0.445 ambi=2 { CG2:23.13 } ::sumAvg: 3.705 atom: 309 30A-HB B 1.379 ambi=1 { CB:19.17 } atom: 315 31Q-HA A 4.162 ambi=1 { CA:56.1 } ::sumAvg: 4.285 atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } atom: 309 30A-HB B 1.379 ambi=1 { CB:19.17 } :: atom: 317 31Q-HB3 B 2.203 ambi=2 { CB:27.39 } atom: 309 30A-HB B 1.379 ambi=1 { CB:19.17 } ::sumAvg: 4.34 atom: 309 30A-HB B 1.379 ambi=1 { CB:19.17 } atom: 320 31Q-HE21 E2 6.77 ambi=2 { NE2:111.5 } :: atom: 309 30A-HB B 1.379 ambi=1 { CB:19.17 } atom: 321 31Q-HE22 E2 7.467 ambi=2 { NE2:111.5 } ::sumAvg: 3.545 atom: 329 32A-HA A 3.738 ambi=1 { CA:55.01 } atom: 314 31Q-H N 8.982 ambi=1 { N:117.3 } ::sumAvg: 4.75 atom: 330 32A-HB B 1.348 ambi=1 { CB:18.647 } atom: 314 31Q-H N 8.982 ambi=1 { N:117.3 } ::sumAvg: 4.675 atom: 315 31Q-HA A 4.162 ambi=1 { CA:56.1 } atom: 320 31Q-HE21 E2 6.77 ambi=2 { NE2:111.5 } :: atom: 315 31Q-HA A 4.162 ambi=1 { CA:56.1 } atom: 321 31Q-HE22 E2 7.467 ambi=2 { NE2:111.5 } ::sumAvg: 3.825 atom: 329 32A-HA A 3.738 ambi=1 { CA:55.01 } atom: 315 31Q-HA A 4.162 ambi=1 { CA:56.1 } ::sumAvg: 4.605 atom: 330 32A-HB B 1.348 ambi=1 { CB:18.647 } atom: 315 31Q-HA A 4.162 ambi=1 { CA:56.1 } ::sumAvg: 4.225 atom: 315 31Q-HA A 4.162 ambi=1 { CA:56.1 } atom: 335 33E-H N 9.338 ambi=1 { N:116.8 } ::sumAvg: 3.835 atom: 315 31Q-HA A 4.162 ambi=1 { CA:56.1 } atom: 348 34Y-HB2 B 3.482 ambi=2 { CB:39.81 } :: atom: 315 31Q-HA A 4.162 ambi=1 { CA:56.1 } atom: 349 34Y-HB3 B 2.858 ambi=2 { CB:39.81 } ::sumAvg: 3.985 atom: 348 34Y-HB2 B 3.482 ambi=2 { CB:39.81 } atom: 315 31Q-HA A 4.162 ambi=1 { CA:56.1 } :: atom: 349 34Y-HB3 B 2.858 ambi=2 { CB:39.81 } atom: 315 31Q-HA A 4.162 ambi=1 { CA:56.1 } ::sumAvg: 3.985 atom: 315 31Q-HA A 4.162 ambi=1 { CA:56.1 } atom: 350 34Y-QD D 7.067 ambi=3 { CD1:133 } ::sumAvg: 2.955 atom: 315 31Q-HA A 4.162 ambi=1 { CA:56.1 } atom: 352 34Y-QE E 6.802 ambi=3 { CE1:117.86 } ::sumAvg: 4.235 atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } atom: 328 32A-H N 8.029 ambi=1 { N:119.9 } :: atom: 317 31Q-HB3 B 2.203 ambi=2 { CB:27.39 } atom: 328 32A-H N 8.029 ambi=1 { N:119.9 } ::sumAvg: 3.335 atom: 329 32A-HA A 3.738 ambi=1 { CA:55.01 } atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } :: atom: 329 32A-HA A 3.738 ambi=1 { CA:55.01 } atom: 317 31Q-HB3 B 2.203 ambi=2 { CB:27.39 } ::sumAvg: 4.85 atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } atom: 335 33E-H N 9.338 ambi=1 { N:116.8 } :: atom: 317 31Q-HB3 B 2.203 ambi=2 { CB:27.39 } atom: 335 33E-H N 9.338 ambi=1 { N:116.8 } ::sumAvg: 4.195 atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } atom: 346 34Y-H N 8.063 ambi=1 { N:116.1 } :: atom: 317 31Q-HB3 B 2.203 ambi=2 { CB:27.39 } atom: 346 34Y-H N 8.063 ambi=1 { N:116.1 } ::sumAvg: 3.14 atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } atom: 347 34Y-HA A 4.82 ambi=1 { CA:56.8 } :: atom: 317 31Q-HB3 B 2.203 ambi=2 { CB:27.39 } atom: 347 34Y-HA A 4.82 ambi=1 { CA:56.8 } ::sumAvg: 4.85 atom: 347 34Y-HA A 4.82 ambi=1 { CA:56.8 } atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } :: atom: 347 34Y-HA A 4.82 ambi=1 { CA:56.8 } atom: 317 31Q-HB3 B 2.203 ambi=2 { CB:27.39 } ::sumAvg: 4.85 atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } atom: 362 35V-H N 7.33 ambi=1 { N:121.2 } :: atom: 317 31Q-HB3 B 2.203 ambi=2 { CB:27.39 } atom: 362 35V-H N 7.33 ambi=1 { N:121.2 } ::sumAvg: 3.97 atom: 363 35V-HA A 4.689 ambi=1 { CA:61.55 } atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } :: atom: 363 35V-HA A 4.689 ambi=1 { CA:61.55 } atom: 317 31Q-HB3 B 2.203 ambi=2 { CB:27.39 } ::sumAvg: 4.835 atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } atom: 364 35V-HB B 1.879 ambi=1 { CB:33.65 } ::sumAvg: 4.49 atom: 364 35V-HB B 1.879 ambi=1 { CB:33.65 } atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } ::sumAvg: 4.49 atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } :: atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } :: atom: 317 31Q-HB3 B 2.203 ambi=2 { CB:27.39 } atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } :: atom: 317 31Q-HB3 B 2.203 ambi=2 { CB:27.39 } atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } ::sumAvg: 3.98 atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } :: atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } atom: 316 31Q-HB2 B 2.291 ambi=2 { CB:27.39 } :: atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } atom: 317 31Q-HB3 B 2.203 ambi=2 { CB:27.39 } :: atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } atom: 317 31Q-HB3 B 2.203 ambi=2 { CB:27.39 } ::sumAvg: 3.98 atom: 318 31Q-QG G 2.274 ambi=2 { CG:34.39 } atom: 348 34Y-HB2 B 3.482 ambi=2 { CB:39.81 } :: atom: 318 31Q-QG G 2.274 ambi=2 { CG:34.39 } atom: 349 34Y-HB3 B 2.858 ambi=2 { CB:39.81 } ::sumAvg: 3.63 atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } atom: 328 32A-H N 8.029 ambi=1 { N:119.9 } :: atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } atom: 328 32A-H N 8.029 ambi=1 { N:119.9 } ::sumAvg: 4.115 atom: 329 32A-HA A 3.738 ambi=1 { CA:55.01 } atom: 362 35V-H N 7.33 ambi=1 { N:121.2 } ::sumAvg: 4.245 atom: 330 32A-HB B 1.348 ambi=1 { CB:18.647 } atom: 336 33E-HA A 4.037 ambi=1 { CA:58.28 } ::sumAvg: 4.035 atom: 336 33E-HA A 4.037 ambi=1 { CA:58.28 } atom: 330 32A-HB B 1.348 ambi=1 { CB:18.647 } ::sumAvg: 4.035 atom: 330 32A-HB B 1.348 ambi=1 { CB:18.647 } atom: 339 33E-HG2 G 1.941 ambi=2 { CG:35.81 } :: atom: 330 32A-HB B 1.348 ambi=1 { CB:18.647 } atom: 340 33E-HG3 G 1.773 ambi=2 { CG:35.81 } ::sumAvg: 4.66 atom: 339 33E-HG2 G 1.941 ambi=2 { CG:35.81 } atom: 330 32A-HB B 1.348 ambi=1 { CB:18.647 } :: atom: 340 33E-HG3 G 1.773 ambi=2 { CG:35.81 } atom: 330 32A-HB B 1.348 ambi=1 { CB:18.647 } ::sumAvg: 4.66 atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } atom: 330 32A-HB B 1.348 ambi=1 { CB:18.647 } :: atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } atom: 330 32A-HB B 1.348 ambi=1 { CB:18.647 } ::sumAvg: 3.67 atom: 330 32A-HB B 1.348 ambi=1 { CB:18.647 } atom: 516 49F-QD D 7.046 ambi=3 { CD1:129.618 } ::sumAvg: 4.955 atom: 330 32A-HB B 1.348 ambi=1 { CB:18.647 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } ::sumAvg: 4.785 atom: 347 34Y-HA A 4.82 ambi=1 { CA:56.8 } atom: 335 33E-H N 9.338 ambi=1 { N:116.8 } ::sumAvg: 4.97 atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } atom: 335 33E-H N 9.338 ambi=1 { N:116.8 } :: atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } atom: 335 33E-H N 9.338 ambi=1 { N:116.8 } ::sumAvg: 3.84 atom: 336 33E-HA A 4.037 ambi=1 { CA:58.28 } atom: 347 34Y-HA A 4.82 ambi=1 { CA:56.8 } ::sumAvg: 4.69 atom: 347 34Y-HA A 4.82 ambi=1 { CA:56.8 } atom: 336 33E-HA A 4.037 ambi=1 { CA:58.28 } ::sumAvg: 4.69 atom: 336 33E-HA A 4.037 ambi=1 { CA:58.28 } atom: 362 35V-H N 7.33 ambi=1 { N:121.2 } ::sumAvg: 4.37 atom: 336 33E-HA A 4.037 ambi=1 { CA:58.28 } atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } :: atom: 336 33E-HA A 4.037 ambi=1 { CA:58.28 } atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } ::sumAvg: 4.115 atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } atom: 336 33E-HA A 4.037 ambi=1 { CA:58.28 } :: atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } atom: 336 33E-HA A 4.037 ambi=1 { CA:58.28 } ::sumAvg: 4.115 atom: 337 33E-QB B 1.644 ambi=2 { CB:28.67 } atom: 347 34Y-HA A 4.82 ambi=1 { CA:56.8 } ::sumAvg: 4.2 atom: 347 34Y-HA A 4.82 ambi=1 { CA:56.8 } atom: 337 33E-QB B 1.644 ambi=2 { CB:28.67 } ::sumAvg: 4.2 atom: 337 33E-QB B 1.644 ambi=2 { CB:28.67 } atom: 350 34Y-QD D 7.067 ambi=3 { CD1:133 } ::sumAvg: 3.645 atom: 337 33E-QB B 1.644 ambi=2 { CB:28.67 } atom: 352 34Y-QE E 6.802 ambi=3 { CE1:117.86 } ::sumAvg: 3.905 atom: 337 33E-QB B 1.644 ambi=2 { CB:28.67 } atom: 362 35V-H N 7.33 ambi=1 { N:121.2 } ::sumAvg: 4.98 atom: 339 33E-HG2 G 1.941 ambi=2 { CG:35.81 } atom: 346 34Y-H N 8.063 ambi=1 { N:116.1 } :: atom: 340 33E-HG3 G 1.773 ambi=2 { CG:35.81 } atom: 346 34Y-H N 8.063 ambi=1 { N:116.1 } ::sumAvg: 3.39 atom: 339 33E-HG2 G 1.941 ambi=2 { CG:35.81 } atom: 347 34Y-HA A 4.82 ambi=1 { CA:56.8 } :: atom: 340 33E-HG3 G 1.773 ambi=2 { CG:35.81 } atom: 347 34Y-HA A 4.82 ambi=1 { CA:56.8 } ::sumAvg: 4.87 atom: 347 34Y-HA A 4.82 ambi=1 { CA:56.8 } atom: 339 33E-HG2 G 1.941 ambi=2 { CG:35.81 } :: atom: 347 34Y-HA A 4.82 ambi=1 { CA:56.8 } atom: 340 33E-HG3 G 1.773 ambi=2 { CG:35.81 } ::sumAvg: 4.87 atom: 363 35V-HA A 4.689 ambi=1 { CA:61.55 } atom: 346 34Y-H N 8.063 ambi=1 { N:116.1 } ::sumAvg: 4.78 atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } atom: 346 34Y-H N 8.063 ambi=1 { N:116.1 } :: atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } atom: 346 34Y-H N 8.063 ambi=1 { N:116.1 } ::sumAvg: 3.56 atom: 347 34Y-HA A 4.82 ambi=1 { CA:56.8 } atom: 350 34Y-QD D 7.067 ambi=3 { CD1:133 } ::sumAvg: 2.75 atom: 347 34Y-HA A 4.82 ambi=1 { CA:56.8 } atom: 352 34Y-QE E 6.802 ambi=3 { CE1:117.86 } ::sumAvg: 4.655 atom: 347 34Y-HA A 4.82 ambi=1 { CA:56.8 } atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } :: atom: 347 34Y-HA A 4.82 ambi=1 { CA:56.8 } atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } ::sumAvg: 4.73 atom: 348 34Y-HB2 B 3.482 ambi=2 { CB:39.81 } atom: 363 35V-HA A 4.689 ambi=1 { CA:61.55 } :: atom: 349 34Y-HB3 B 2.858 ambi=2 { CB:39.81 } atom: 363 35V-HA A 4.689 ambi=1 { CA:61.55 } ::sumAvg: 4.36 atom: 363 35V-HA A 4.689 ambi=1 { CA:61.55 } atom: 348 34Y-HB2 B 3.482 ambi=2 { CB:39.81 } :: atom: 363 35V-HA A 4.689 ambi=1 { CA:61.55 } atom: 349 34Y-HB3 B 2.858 ambi=2 { CB:39.81 } ::sumAvg: 4.36 atom: 348 34Y-HB2 B 3.482 ambi=2 { CB:39.81 } atom: 364 35V-HB B 1.879 ambi=1 { CB:33.65 } :: atom: 349 34Y-HB3 B 2.858 ambi=2 { CB:39.81 } atom: 364 35V-HB B 1.879 ambi=1 { CB:33.65 } ::sumAvg: 4.92 atom: 364 35V-HB B 1.879 ambi=1 { CB:33.65 } atom: 348 34Y-HB2 B 3.482 ambi=2 { CB:39.81 } :: atom: 364 35V-HB B 1.879 ambi=1 { CB:33.65 } atom: 349 34Y-HB3 B 2.858 ambi=2 { CB:39.81 } ::sumAvg: 4.92 atom: 348 34Y-HB2 B 3.482 ambi=2 { CB:39.81 } atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } :: atom: 348 34Y-HB2 B 3.482 ambi=2 { CB:39.81 } atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } :: atom: 349 34Y-HB3 B 2.858 ambi=2 { CB:39.81 } atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } :: atom: 349 34Y-HB3 B 2.858 ambi=2 { CB:39.81 } atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } ::sumAvg: 4.46 atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } atom: 348 34Y-HB2 B 3.482 ambi=2 { CB:39.81 } :: atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } atom: 348 34Y-HB2 B 3.482 ambi=2 { CB:39.81 } :: atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } atom: 349 34Y-HB3 B 2.858 ambi=2 { CB:39.81 } :: atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } atom: 349 34Y-HB3 B 2.858 ambi=2 { CB:39.81 } ::sumAvg: 4.46 atom: 363 35V-HA A 4.689 ambi=1 { CA:61.55 } atom: 362 35V-H N 7.33 ambi=1 { N:121.2 } ::sumAvg: 2.86 atom: 363 35V-HA A 4.689 ambi=1 { CA:61.55 } atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } ::sumAvg: 4.66 atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } atom: 363 35V-HA A 4.689 ambi=1 { CA:61.55 } ::sumAvg: 4.66 atom: 363 35V-HA A 4.689 ambi=1 { CA:61.55 } atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } ::sumAvg: 3.99 atom: 363 35V-HA A 4.689 ambi=1 { CA:61.55 } atom: 696 65F-HZ Z 7.298 ambi=1 { CZ:129.9 } ::sumAvg: 3.58 atom: 364 35V-HB B 1.879 ambi=1 { CB:33.65 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } ::sumAvg: 4.615 atom: 364 35V-HB B 1.879 ambi=1 { CB:33.65 } atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } ::sumAvg: 4.385 atom: 374 36T-HA A 4.696 ambi=1 { CA:62.3 } atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } :: atom: 374 36T-HA A 4.696 ambi=1 { CA:62.3 } atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } ::sumAvg: 3.92 atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } :: atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } ::sumAvg: 4.57 atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } :: atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } ::sumAvg: 4.57 atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } :: atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } ::sumAvg: 4.94 atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } :: atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } ::sumAvg: 4.94 atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } :: atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } ::sumAvg: 3.525 atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } :: atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } ::sumAvg: 4.33 atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } :: atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } ::sumAvg: 4.33 atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } atom: 648 62F-HZ Z 6.78 ambi=1 { CZ:128.1 } :: atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } atom: 648 62F-HZ Z 6.78 ambi=1 { CZ:128.1 } ::sumAvg: 3.24 atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } atom: 658 63L-H N 8.996 ambi=1 { N:125 } :: atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } atom: 658 63L-H N 8.996 ambi=1 { N:125 } ::sumAvg: 4.5 atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } atom: 690 65F-HB2 B 3.166 ambi=2 { CB:39.34 } :: atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } atom: 691 65F-HB3 B 3.012 ambi=2 { CB:39.34 } :: atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } atom: 690 65F-HB2 B 3.166 ambi=2 { CB:39.34 } :: atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } atom: 691 65F-HB3 B 3.012 ambi=2 { CB:39.34 } ::sumAvg: 4.685 atom: 690 65F-HB2 B 3.166 ambi=2 { CB:39.34 } atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } :: atom: 691 65F-HB3 B 3.012 ambi=2 { CB:39.34 } atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } :: atom: 690 65F-HB2 B 3.166 ambi=2 { CB:39.34 } atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } :: atom: 691 65F-HB3 B 3.012 ambi=2 { CB:39.34 } atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } ::sumAvg: 4.685 atom: 365 35V-HG1 G1 0.625 ambi=2 { CG1:21.01 } atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } :: atom: 366 35V-HG2 G2 0.777 ambi=2 { CG2:22.48 } atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } ::sumAvg: 3.845 atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } atom: 373 36T-H N 8.879 ambi=1 { N:126.8 } ::sumAvg: 2.65 atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } atom: 373 36T-H N 8.879 ambi=1 { N:126.8 } ::sumAvg: 3.85 atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 373 36T-H N 8.879 ambi=1 { N:126.8 } :: atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } atom: 373 36T-H N 8.879 ambi=1 { N:126.8 } ::sumAvg: 3.795 atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } atom: 374 36T-HA A 4.696 ambi=1 { CA:62.3 } ::sumAvg: 3.025 atom: 374 36T-HA A 4.696 ambi=1 { CA:62.3 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } :: atom: 374 36T-HA A 4.696 ambi=1 { CA:62.3 } atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } ::sumAvg: 3.815 atom: 374 36T-HA A 4.696 ambi=1 { CA:62.3 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } ::sumAvg: 4.745 atom: 374 36T-HA A 4.696 ambi=1 { CA:62.3 } atom: 694 65F-QE E 7.046 ambi=3 { CE1:132.978 } ::sumAvg: 4.435 atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } atom: 382 37V-H N 9.616 ambi=1 { N:127.6 } ::sumAvg: 4.245 atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } ::sumAvg: 4.76 atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } ::sumAvg: 4.76 atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } :: atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } ::sumAvg: 4.915 atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } :: atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } ::sumAvg: 4.915 atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } atom: 658 63L-H N 8.996 ambi=1 { N:125 } ::sumAvg: 4.755 atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } :: atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } ::sumAvg: 4.825 atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } atom: 662 63L-HG G 1.417 ambi=1 { CG:27.27 } ::sumAvg: 4.34 atom: 662 63L-HG G 1.417 ambi=1 { CG:27.27 } atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } ::sumAvg: 4.34 atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } :: atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } ::sumAvg: 3.485 atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } ::sumAvg: 3.785 atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } atom: 694 65F-QE E 7.046 ambi=3 { CE1:132.978 } ::sumAvg: 2.79 atom: 375 36T-HB B 3.98 ambi=1 { CB:70.5 } atom: 696 65F-HZ Z 7.298 ambi=1 { CZ:129.9 } ::sumAvg: 3.38 atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } ::sumAvg: 3.705 atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } ::sumAvg: 3.705 atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } :: atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } ::sumAvg: 4.31 atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } :: atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } ::sumAvg: 4.31 atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } atom: 393 38E-H N 8.934 ambi=1 { N:126.7 } ::sumAvg: 4.22 atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } atom: 395 38E-HB2 B 1.839 ambi=2 { CB:32.599 } :: atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } atom: 396 38E-HB3 B 1.695 ambi=2 { CB:32.599 } ::sumAvg: 4.005 atom: 395 38E-HB2 B 1.839 ambi=2 { CB:32.599 } atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } :: atom: 396 38E-HB3 B 1.695 ambi=2 { CB:32.599 } atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } ::sumAvg: 4.005 atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } atom: 397 38E-HG2 G 1.855 ambi=2 { CG:36.071 } :: atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } atom: 398 38E-HG3 G 1.721 ambi=2 { CG:36.071 } ::sumAvg: 4.67 atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } ::sumAvg: 4.655 atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } atom: 455 44L-H N 8.81 ambi=1 { N:129.2 } ::sumAvg: 4.75 atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } atom: 658 63L-H N 8.996 ambi=1 { N:125 } ::sumAvg: 4.93 atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } :: atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } ::sumAvg: 2.98 atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } ::sumAvg: 4.745 atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } atom: 694 65F-QE E 7.046 ambi=3 { CE1:132.978 } ::sumAvg: 3.98 atom: 376 36T-HG2 G2 1.293 ambi=1 { CG2:21.78 } atom: 696 65F-HZ Z 7.298 ambi=1 { CZ:129.9 } ::sumAvg: 4.745 atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } atom: 382 37V-H N 9.616 ambi=1 { N:127.6 } ::sumAvg: 2.935 atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } atom: 382 37V-H N 9.616 ambi=1 { N:127.6 } ::sumAvg: 3.8 atom: 447 43V-HG1 G1 0.885 ambi=2 { CG1:21.63 } atom: 382 37V-H N 9.616 ambi=1 { N:127.6 } :: atom: 448 43V-HG2 G2 0.972 ambi=2 { CG2:22.32 } atom: 382 37V-H N 9.616 ambi=1 { N:127.6 } ::sumAvg: 3.775 atom: 457 44L-HB2 B 2.053 ambi=2 { CB:44.08 } atom: 382 37V-H N 9.616 ambi=1 { N:127.6 } :: atom: 458 44L-HB3 B 1.591 ambi=2 { CB:44.08 } atom: 382 37V-H N 9.616 ambi=1 { N:127.6 } ::sumAvg: 4.94 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 382 37V-H N 9.616 ambi=1 { N:127.6 } ::sumAvg: 4.975 atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } atom: 395 38E-HB2 B 1.839 ambi=2 { CB:32.599 } :: atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } atom: 396 38E-HB3 B 1.695 ambi=2 { CB:32.599 } ::sumAvg: 4.68 atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } atom: 397 38E-HG2 G 1.855 ambi=2 { CG:36.071 } :: atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } atom: 398 38E-HG3 G 1.721 ambi=2 { CG:36.071 } ::sumAvg: 4.395 atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } atom: 447 43V-HG1 G1 0.885 ambi=2 { CG1:21.63 } :: atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } atom: 448 43V-HG2 G2 0.972 ambi=2 { CG2:22.32 } ::sumAvg: 4.735 atom: 447 43V-HG1 G1 0.885 ambi=2 { CG1:21.63 } atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } :: atom: 448 43V-HG2 G2 0.972 ambi=2 { CG2:22.32 } atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } ::sumAvg: 4.735 atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } ::sumAvg: 4.795 atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } atom: 631 61E-HB2 B 1.733 ambi=2 { CB:32.477 } :: atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } atom: 632 61E-HB3 B 1.969 ambi=2 { CB:32.477 } ::sumAvg: 4.73 atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } atom: 644 62F-QD D 7.058 ambi=3 { CD1:131.039 } ::sumAvg: 4.945 atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } atom: 658 63L-H N 8.996 ambi=1 { N:125 } ::sumAvg: 4.265 atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } atom: 662 63L-HG G 1.417 ambi=1 { CG:27.27 } ::sumAvg: 4.77 atom: 662 63L-HG G 1.417 ambi=1 { CG:27.27 } atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } ::sumAvg: 4.77 atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } :: atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } ::sumAvg: 3.535 atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } :: atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } atom: 383 37V-HA A 5.072 ambi=1 { CA:59.44 } ::sumAvg: 3.535 atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } ::sumAvg: 4.475 atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } :: atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } ::sumAvg: 4.565 atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } :: atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } ::sumAvg: 4.565 atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } ::sumAvg: 4.765 atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } ::sumAvg: 4.8 atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } ::sumAvg: 4.8 atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } :: atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } ::sumAvg: 3.755 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } ::sumAvg: 3.755 atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } ::sumAvg: 4.38 atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } ::sumAvg: 4.38 atom: 384 37V-HB B 1.613 ambi=1 { CB:35.27 } atom: 644 62F-QD D 7.058 ambi=3 { CD1:131.039 } ::sumAvg: 4.5 atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } :: atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } ::sumAvg: 3.86 atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } :: atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 407 39L-HB3 B 0.9298 ambi=2 { CB:45.64 } :: atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } ::sumAvg: 4.955 atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } :: atom: 407 39L-HB3 B 0.9298 ambi=2 { CB:45.64 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } :: atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } ::sumAvg: 4.955 atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } :: atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } ::sumAvg: 4.315 atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } :: atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } ::sumAvg: 4.315 atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } :: atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } ::sumAvg: 4.74 atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } :: atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } ::sumAvg: 4.74 atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 447 43V-HG1 G1 0.885 ambi=2 { CG1:21.63 } :: atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 448 43V-HG2 G2 0.972 ambi=2 { CG2:22.32 } ::sumAvg: 4.185 atom: 447 43V-HG1 G1 0.885 ambi=2 { CG1:21.63 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } :: atom: 448 43V-HG2 G2 0.972 ambi=2 { CG2:22.32 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } ::sumAvg: 4.185 atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 455 44L-H N 8.81 ambi=1 { N:129.2 } :: atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } atom: 455 44L-H N 8.81 ambi=1 { N:129.2 } ::sumAvg: 3.55 atom: 457 44L-HB2 B 2.053 ambi=2 { CB:44.08 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } :: atom: 458 44L-HB3 B 1.591 ambi=2 { CB:44.08 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } :: atom: 457 44L-HB2 B 2.053 ambi=2 { CB:44.08 } atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } :: atom: 458 44L-HB3 B 1.591 ambi=2 { CB:44.08 } atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } ::sumAvg: 3.24 atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 459 44L-HG G 0.87 ambi=1 { CG:27.599 } ::sumAvg: 4.43 atom: 459 44L-HG G 0.87 ambi=1 { CG:27.599 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } ::sumAvg: 4.43 atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } ::sumAvg: 3.215 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } ::sumAvg: 3.215 atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } :: atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } ::sumAvg: 2.485 atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } :: atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } ::sumAvg: 2.855 atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } :: atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } ::sumAvg: 2.855 atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 642 62F-HB2 B 2.986 ambi=2 { CB:39.64 } :: atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 643 62F-HB3 B 2.754 ambi=2 { CB:39.64 } :: atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } atom: 642 62F-HB2 B 2.986 ambi=2 { CB:39.64 } :: atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } atom: 643 62F-HB3 B 2.754 ambi=2 { CB:39.64 } ::sumAvg: 4.11 atom: 642 62F-HB2 B 2.986 ambi=2 { CB:39.64 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } :: atom: 643 62F-HB3 B 2.754 ambi=2 { CB:39.64 } atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } :: atom: 642 62F-HB2 B 2.986 ambi=2 { CB:39.64 } atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } :: atom: 643 62F-HB3 B 2.754 ambi=2 { CB:39.64 } atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } ::sumAvg: 4.11 atom: 385 37V-HG1 G1 0.418 ambi=2 { CG1:21.97 } atom: 648 62F-HZ Z 6.78 ambi=1 { CZ:128.1 } :: atom: 386 37V-HG2 G2 0.631 ambi=2 { CG2:21.6 } atom: 648 62F-HZ Z 6.78 ambi=1 { CZ:128.1 } ::sumAvg: 3.89 atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } atom: 393 38E-H N 8.934 ambi=1 { N:126.7 } ::sumAvg: 4.54 atom: 447 43V-HG1 G1 0.885 ambi=2 { CG1:21.63 } atom: 393 38E-H N 8.934 ambi=1 { N:126.7 } :: atom: 448 43V-HG2 G2 0.972 ambi=2 { CG2:22.32 } atom: 393 38E-H N 8.934 ambi=1 { N:126.7 } ::sumAvg: 4.81 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 393 38E-H N 8.934 ambi=1 { N:126.7 } ::sumAvg: 4.81 atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } atom: 393 38E-H N 8.934 ambi=1 { N:126.7 } ::sumAvg: 4.61 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 393 38E-H N 8.934 ambi=1 { N:126.7 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 393 38E-H N 8.934 ambi=1 { N:126.7 } ::sumAvg: 4.875 atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } atom: 393 38E-H N 8.934 ambi=1 { N:126.7 } ::sumAvg: 4.715 atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } :: atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } ::sumAvg: 4.15 atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } atom: 433 42E-H N 7.716 ambi=1 { N:120.731 } ::sumAvg: 4.385 atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } atom: 435 42E-HB2 B 2.066 ambi=2 { CB:31.77 } :: atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } atom: 436 42E-HB3 B 1.906 ambi=2 { CB:31.77 } ::sumAvg: 4.995 atom: 435 42E-HB2 B 2.066 ambi=2 { CB:31.77 } atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } :: atom: 436 42E-HB3 B 1.906 ambi=2 { CB:31.77 } atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } ::sumAvg: 4.995 atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } atom: 444 43V-H N 8.872 ambi=1 { N:126.8 } ::sumAvg: 4.415 atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } atom: 446 43V-HB B 1.965 ambi=1 { CB:31.5 } ::sumAvg: 4.17 atom: 446 43V-HB B 1.965 ambi=1 { CB:31.5 } atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } ::sumAvg: 4.17 atom: 447 43V-HG1 G1 0.885 ambi=2 { CG1:21.63 } atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } :: atom: 448 43V-HG2 G2 0.972 ambi=2 { CG2:22.32 } atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } ::sumAvg: 3.68 atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } atom: 455 44L-H N 8.81 ambi=1 { N:129.2 } ::sumAvg: 3.105 atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } atom: 457 44L-HB2 B 2.053 ambi=2 { CB:44.08 } :: atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } atom: 458 44L-HB3 B 1.591 ambi=2 { CB:44.08 } ::sumAvg: 4.47 atom: 457 44L-HB2 B 2.053 ambi=2 { CB:44.08 } atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } :: atom: 458 44L-HB3 B 1.591 ambi=2 { CB:44.08 } atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } ::sumAvg: 4.47 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 394 38E-HA A 5.059 ambi=1 { CA:53.989 } ::sumAvg: 2.76 atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } atom: 395 38E-HB2 B 1.839 ambi=2 { CB:32.599 } :: atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } atom: 396 38E-HB3 B 1.695 ambi=2 { CB:32.599 } ::sumAvg: 4.745 atom: 428 41G-HA2 A 4.162 ambi=2 { CA:45.22 } atom: 395 38E-HB2 B 1.839 ambi=2 { CB:32.599 } :: atom: 429 41G-HA3 A 3.625 ambi=2 { CA:45.22 } atom: 395 38E-HB2 B 1.839 ambi=2 { CB:32.599 } :: atom: 428 41G-HA2 A 4.162 ambi=2 { CA:45.22 } atom: 396 38E-HB3 B 1.695 ambi=2 { CB:32.599 } :: atom: 429 41G-HA3 A 3.625 ambi=2 { CA:45.22 } atom: 396 38E-HB3 B 1.695 ambi=2 { CB:32.599 } ::sumAvg: 3.62 atom: 395 38E-HB2 B 1.839 ambi=2 { CB:32.599 } atom: 434 42E-HA A 4.655 ambi=1 { CA:54.19 } :: atom: 396 38E-HB3 B 1.695 ambi=2 { CB:32.599 } atom: 434 42E-HA A 4.655 ambi=1 { CA:54.19 } ::sumAvg: 3.655 atom: 434 42E-HA A 4.655 ambi=1 { CA:54.19 } atom: 395 38E-HB2 B 1.839 ambi=2 { CB:32.599 } :: atom: 434 42E-HA A 4.655 ambi=1 { CA:54.19 } atom: 396 38E-HB3 B 1.695 ambi=2 { CB:32.599 } ::sumAvg: 3.655 atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } atom: 395 38E-HB2 B 1.839 ambi=2 { CB:32.599 } :: atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } atom: 396 38E-HB3 B 1.695 ambi=2 { CB:32.599 } ::sumAvg: 2.385 atom: 395 38E-HB2 B 1.839 ambi=2 { CB:32.599 } atom: 455 44L-H N 8.81 ambi=1 { N:129.2 } :: atom: 396 38E-HB3 B 1.695 ambi=2 { CB:32.599 } atom: 455 44L-H N 8.81 ambi=1 { N:129.2 } ::sumAvg: 4.28 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 395 38E-HB2 B 1.839 ambi=2 { CB:32.599 } :: atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 396 38E-HB3 B 1.695 ambi=2 { CB:32.599 } ::sumAvg: 4.075 atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } atom: 397 38E-HG2 G 1.855 ambi=2 { CG:36.071 } :: atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } atom: 398 38E-HG3 G 1.721 ambi=2 { CG:36.071 } ::sumAvg: 4.45 atom: 397 38E-HG2 G 1.855 ambi=2 { CG:36.071 } atom: 416 40N-H N 10.21 ambi=1 { N:128.749 } :: atom: 398 38E-HG3 G 1.721 ambi=2 { CG:36.071 } atom: 416 40N-H N 10.21 ambi=1 { N:128.749 } ::sumAvg: 4.575 atom: 397 38E-HG2 G 1.855 ambi=2 { CG:36.071 } atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } :: atom: 398 38E-HG3 G 1.721 ambi=2 { CG:36.071 } atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } ::sumAvg: 4.7 atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } atom: 397 38E-HG2 G 1.855 ambi=2 { CG:36.071 } :: atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } atom: 398 38E-HG3 G 1.721 ambi=2 { CG:36.071 } ::sumAvg: 4.7 atom: 398 38E-HG3 G 1.721 ambi=2 { CG:36.071 } atom: 634 61E-HG3 G 2.196 ambi=2 { CG:35.798 } ::sumAvg: 4.825 atom: 397 38E-HG2 G 1.855 ambi=2 { CG:36.071 } atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } :: atom: 397 38E-HG2 G 1.855 ambi=2 { CG:36.071 } atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } :: atom: 398 38E-HG3 G 1.721 ambi=2 { CG:36.071 } atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } :: atom: 398 38E-HG3 G 1.721 ambi=2 { CG:36.071 } atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } ::sumAvg: 4.345 atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } atom: 404 39L-H N 9.004 ambi=1 { N:128.7 } :: atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } atom: 404 39L-H N 9.004 ambi=1 { N:128.7 } ::sumAvg: 2.95 atom: 434 42E-HA A 4.655 ambi=1 { CA:54.19 } atom: 404 39L-H N 9.004 ambi=1 { N:128.7 } ::sumAvg: 4.985 atom: 435 42E-HB2 B 2.066 ambi=2 { CB:31.77 } atom: 404 39L-H N 9.004 ambi=1 { N:128.7 } :: atom: 436 42E-HB3 B 1.906 ambi=2 { CB:31.77 } atom: 404 39L-H N 9.004 ambi=1 { N:128.7 } ::sumAvg: 3.725 atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } atom: 404 39L-H N 9.004 ambi=1 { N:128.7 } ::sumAvg: 3.585 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 404 39L-H N 9.004 ambi=1 { N:128.7 } ::sumAvg: 2.79 atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } atom: 404 39L-H N 9.004 ambi=1 { N:128.7 } ::sumAvg: 4.87 atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } atom: 418 40N-HB2 B 2.993 ambi=2 { CB:37.28 } :: atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } atom: 419 40N-HB3 B 2.907 ambi=2 { CB:37.28 } ::sumAvg: 4.47 atom: 418 40N-HB2 B 2.993 ambi=2 { CB:37.28 } atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } :: atom: 419 40N-HB3 B 2.907 ambi=2 { CB:37.28 } atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } ::sumAvg: 4.47 atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } atom: 420 40N-HD21 D2 7.317 ambi=2 { ND2:116 } :: atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } atom: 421 40N-HD22 D2 7.91 ambi=2 { ND2:116 } ::sumAvg: 4.705 atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } atom: 433 42E-H N 7.716 ambi=1 { N:120.731 } ::sumAvg: 4.655 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } ::sumAvg: 4.44 atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } ::sumAvg: 3.82 atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } ::sumAvg: 4.705 atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } ::sumAvg: 2.95 atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } ::sumAvg: 2.95 atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } atom: 620 60V-HB B 1.875 ambi=1 { CB:33.64 } ::sumAvg: 4.99 atom: 620 60V-HB B 1.875 ambi=1 { CB:33.64 } atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } ::sumAvg: 4.99 atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } :: atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } ::sumAvg: 4.05 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 405 39L-HA A 5.082 ambi=1 { CA:53.03 } ::sumAvg: 4.05 atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } atom: 418 40N-HB2 B 2.993 ambi=2 { CB:37.28 } :: atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } atom: 419 40N-HB3 B 2.907 ambi=2 { CB:37.28 } :: atom: 407 39L-HB3 B 0.9298 ambi=2 { CB:45.64 } atom: 418 40N-HB2 B 2.993 ambi=2 { CB:37.28 } :: atom: 407 39L-HB3 B 0.9298 ambi=2 { CB:45.64 } atom: 419 40N-HB3 B 2.907 ambi=2 { CB:37.28 } ::sumAvg: 3.96 atom: 418 40N-HB2 B 2.993 ambi=2 { CB:37.28 } atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } :: atom: 419 40N-HB3 B 2.907 ambi=2 { CB:37.28 } atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } :: atom: 418 40N-HB2 B 2.993 ambi=2 { CB:37.28 } atom: 407 39L-HB3 B 0.9298 ambi=2 { CB:45.64 } :: atom: 419 40N-HB3 B 2.907 ambi=2 { CB:37.28 } atom: 407 39L-HB3 B 0.9298 ambi=2 { CB:45.64 } ::sumAvg: 3.96 atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } atom: 420 40N-HD21 D2 7.317 ambi=2 { ND2:116 } :: atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } atom: 421 40N-HD22 D2 7.91 ambi=2 { ND2:116 } :: atom: 407 39L-HB3 B 0.9298 ambi=2 { CB:45.64 } atom: 420 40N-HD21 D2 7.317 ambi=2 { ND2:116 } :: atom: 407 39L-HB3 B 0.9298 ambi=2 { CB:45.64 } atom: 421 40N-HD22 D2 7.91 ambi=2 { ND2:116 } ::sumAvg: 4.035 atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } atom: 427 41G-H N 8.913 ambi=1 { N:102.811 } :: atom: 407 39L-HB3 B 0.9298 ambi=2 { CB:45.64 } atom: 427 41G-H N 8.913 ambi=1 { N:102.811 } ::sumAvg: 4.995 atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } atom: 433 42E-H N 7.716 ambi=1 { N:120.731 } :: atom: 407 39L-HB3 B 0.9298 ambi=2 { CB:45.64 } atom: 433 42E-H N 7.716 ambi=1 { N:120.731 } ::sumAvg: 4.765 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } ::sumAvg: 3.24 atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } atom: 546 52T-HG2 G2 1.149 ambi=1 { CG2:21.18 } ::sumAvg: 4.195 atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } :: atom: 407 39L-HB3 B 0.9298 ambi=2 { CB:45.64 } atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } ::sumAvg: 4.625 atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } :: atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 407 39L-HB3 B 0.9298 ambi=2 { CB:45.64 } ::sumAvg: 4.625 atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } :: atom: 407 39L-HB3 B 0.9298 ambi=2 { CB:45.64 } atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } ::sumAvg: 4.165 atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } :: atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } atom: 407 39L-HB3 B 0.9298 ambi=2 { CB:45.64 } ::sumAvg: 4.165 atom: 407 39L-HB3 B 0.9298 ambi=2 { CB:45.64 } atom: 620 60V-HB B 1.875 ambi=1 { CB:33.64 } ::sumAvg: 4.6 atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } :: atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } ::sumAvg: 3.68 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 406 39L-HB2 B 1.943 ambi=2 { CB:45.64 } ::sumAvg: 3.68 atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } atom: 417 40N-HA A 4.495 ambi=1 { CA:54.54 } :: atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } atom: 417 40N-HA A 4.495 ambi=1 { CA:54.54 } ::sumAvg: 4.875 atom: 417 40N-HA A 4.495 ambi=1 { CA:54.54 } atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } :: atom: 417 40N-HA A 4.495 ambi=1 { CA:54.54 } atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } ::sumAvg: 4.875 atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } atom: 433 42E-H N 7.716 ambi=1 { N:120.731 } :: atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } atom: 433 42E-H N 7.716 ambi=1 { N:120.731 } ::sumAvg: 4.365 atom: 435 42E-HB2 B 2.066 ambi=2 { CB:31.77 } atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } :: atom: 436 42E-HB3 B 1.906 ambi=2 { CB:31.77 } atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } :: atom: 435 42E-HB2 B 2.066 ambi=2 { CB:31.77 } atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } :: atom: 436 42E-HB3 B 1.906 ambi=2 { CB:31.77 } atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } ::sumAvg: 3.75 atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } atom: 545 52T-HB B 4.046 ambi=1 { CB:69.91 } :: atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } atom: 545 52T-HB B 4.046 ambi=1 { CB:69.91 } ::sumAvg: 4.86 atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } :: atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } ::sumAvg: 4.045 atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } :: atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } ::sumAvg: 4.63 atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } atom: 611 59A-H N 8.326 ambi=1 { N:121.1 } :: atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } atom: 611 59A-H N 8.326 ambi=1 { N:121.1 } ::sumAvg: 3.595 atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } :: atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } ::sumAvg: 4.125 atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } :: atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } atom: 618 60V-H N 9.061 ambi=1 { N:121.8 } ::sumAvg: 4.69 atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } :: atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } ::sumAvg: 3.315 atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } :: atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } ::sumAvg: 3.315 atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } atom: 620 60V-HB B 1.875 ambi=1 { CB:33.64 } :: atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } atom: 620 60V-HB B 1.875 ambi=1 { CB:33.64 } ::sumAvg: 4.21 atom: 408 39L-HD1 D1 0.832 ambi=2 { CD1:26.94 } atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } :: atom: 409 39L-HD2 D2 0.869 ambi=2 { CD2:24.07 } atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } ::sumAvg: 4.66 atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } atom: 416 40N-H N 10.21 ambi=1 { N:128.749 } ::sumAvg: 4.67 atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } atom: 416 40N-H N 10.21 ambi=1 { N:128.749 } ::sumAvg: 4.19 atom: 417 40N-HA A 4.495 ambi=1 { CA:54.54 } atom: 420 40N-HD21 D2 7.317 ambi=2 { ND2:116 } :: atom: 417 40N-HA A 4.495 ambi=1 { CA:54.54 } atom: 421 40N-HD22 D2 7.91 ambi=2 { ND2:116 } ::sumAvg: 3.155 atom: 417 40N-HA A 4.495 ambi=1 { CA:54.54 } atom: 429 41G-HA3 A 3.625 ambi=2 { CA:45.22 } ::sumAvg: 4.495 atom: 429 41G-HA3 A 3.625 ambi=2 { CA:45.22 } atom: 417 40N-HA A 4.495 ambi=1 { CA:54.54 } ::sumAvg: 4.495 atom: 417 40N-HA A 4.495 ambi=1 { CA:54.54 } atom: 433 42E-H N 7.716 ambi=1 { N:120.731 } ::sumAvg: 4.81 atom: 418 40N-HB2 B 2.993 ambi=2 { CB:37.28 } atom: 428 41G-HA2 A 4.162 ambi=2 { CA:45.22 } :: atom: 418 40N-HB2 B 2.993 ambi=2 { CB:37.28 } atom: 429 41G-HA3 A 3.625 ambi=2 { CA:45.22 } :: atom: 419 40N-HB3 B 2.907 ambi=2 { CB:37.28 } atom: 428 41G-HA2 A 4.162 ambi=2 { CA:45.22 } :: atom: 419 40N-HB3 B 2.907 ambi=2 { CB:37.28 } atom: 429 41G-HA3 A 3.625 ambi=2 { CA:45.22 } ::sumAvg: 4.855 atom: 428 41G-HA2 A 4.162 ambi=2 { CA:45.22 } atom: 418 40N-HB2 B 2.993 ambi=2 { CB:37.28 } :: atom: 429 41G-HA3 A 3.625 ambi=2 { CA:45.22 } atom: 418 40N-HB2 B 2.993 ambi=2 { CB:37.28 } :: atom: 428 41G-HA2 A 4.162 ambi=2 { CA:45.22 } atom: 419 40N-HB3 B 2.907 ambi=2 { CB:37.28 } :: atom: 429 41G-HA3 A 3.625 ambi=2 { CA:45.22 } atom: 419 40N-HB3 B 2.907 ambi=2 { CB:37.28 } ::sumAvg: 4.855 atom: 418 40N-HB2 B 2.993 ambi=2 { CB:37.28 } atom: 433 42E-H N 7.716 ambi=1 { N:120.731 } :: atom: 419 40N-HB3 B 2.907 ambi=2 { CB:37.28 } atom: 433 42E-H N 7.716 ambi=1 { N:120.731 } ::sumAvg: 4.22 atom: 418 40N-HB2 B 2.993 ambi=2 { CB:37.28 } atom: 435 42E-HB2 B 2.066 ambi=2 { CB:31.77 } :: atom: 418 40N-HB2 B 2.993 ambi=2 { CB:37.28 } atom: 436 42E-HB3 B 1.906 ambi=2 { CB:31.77 } :: atom: 419 40N-HB3 B 2.907 ambi=2 { CB:37.28 } atom: 435 42E-HB2 B 2.066 ambi=2 { CB:31.77 } :: atom: 419 40N-HB3 B 2.907 ambi=2 { CB:37.28 } atom: 436 42E-HB3 B 1.906 ambi=2 { CB:31.77 } ::sumAvg: 4.73 atom: 435 42E-HB2 B 2.066 ambi=2 { CB:31.77 } atom: 418 40N-HB2 B 2.993 ambi=2 { CB:37.28 } :: atom: 436 42E-HB3 B 1.906 ambi=2 { CB:31.77 } atom: 418 40N-HB2 B 2.993 ambi=2 { CB:37.28 } :: atom: 435 42E-HB2 B 2.066 ambi=2 { CB:31.77 } atom: 419 40N-HB3 B 2.907 ambi=2 { CB:37.28 } :: atom: 436 42E-HB3 B 1.906 ambi=2 { CB:31.77 } atom: 419 40N-HB3 B 2.907 ambi=2 { CB:37.28 } ::sumAvg: 4.73 atom: 418 40N-HB2 B 2.993 ambi=2 { CB:37.28 } atom: 611 59A-H N 8.326 ambi=1 { N:121.1 } :: atom: 419 40N-HB3 B 2.907 ambi=2 { CB:37.28 } atom: 611 59A-H N 8.326 ambi=1 { N:121.1 } ::sumAvg: 4.14 atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 418 40N-HB2 B 2.993 ambi=2 { CB:37.28 } :: atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 419 40N-HB3 B 2.907 ambi=2 { CB:37.28 } ::sumAvg: 3.605 atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } atom: 420 40N-HD21 D2 7.317 ambi=2 { ND2:116 } :: atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } atom: 421 40N-HD22 D2 7.91 ambi=2 { ND2:116 } ::sumAvg: 3.34 atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } atom: 420 40N-HD21 D2 7.317 ambi=2 { ND2:116 } :: atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } atom: 420 40N-HD21 D2 7.317 ambi=2 { ND2:116 } :: atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } atom: 421 40N-HD22 D2 7.91 ambi=2 { ND2:116 } :: atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } atom: 421 40N-HD22 D2 7.91 ambi=2 { ND2:116 } ::sumAvg: 4.49 atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 420 40N-HD21 D2 7.317 ambi=2 { ND2:116 } :: atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 421 40N-HD22 D2 7.91 ambi=2 { ND2:116 } ::sumAvg: 3.495 atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 427 41G-H N 8.913 ambi=1 { N:102.811 } ::sumAvg: 4.515 atom: 428 41G-HA2 A 4.162 ambi=2 { CA:45.22 } atom: 434 42E-HA A 4.655 ambi=1 { CA:54.19 } :: atom: 429 41G-HA3 A 3.625 ambi=2 { CA:45.22 } atom: 434 42E-HA A 4.655 ambi=1 { CA:54.19 } ::sumAvg: 4.445 atom: 434 42E-HA A 4.655 ambi=1 { CA:54.19 } atom: 428 41G-HA2 A 4.162 ambi=2 { CA:45.22 } :: atom: 434 42E-HA A 4.655 ambi=1 { CA:54.19 } atom: 429 41G-HA3 A 3.625 ambi=2 { CA:45.22 } ::sumAvg: 4.445 atom: 428 41G-HA2 A 4.162 ambi=2 { CA:45.22 } atom: 435 42E-HB2 B 2.066 ambi=2 { CB:31.77 } :: atom: 428 41G-HA2 A 4.162 ambi=2 { CA:45.22 } atom: 436 42E-HB3 B 1.906 ambi=2 { CB:31.77 } :: atom: 429 41G-HA3 A 3.625 ambi=2 { CA:45.22 } atom: 435 42E-HB2 B 2.066 ambi=2 { CB:31.77 } :: atom: 429 41G-HA3 A 3.625 ambi=2 { CA:45.22 } atom: 436 42E-HB3 B 1.906 ambi=2 { CB:31.77 } ::sumAvg: 4.935 atom: 435 42E-HB2 B 2.066 ambi=2 { CB:31.77 } atom: 428 41G-HA2 A 4.162 ambi=2 { CA:45.22 } :: atom: 436 42E-HB3 B 1.906 ambi=2 { CB:31.77 } atom: 428 41G-HA2 A 4.162 ambi=2 { CA:45.22 } :: atom: 435 42E-HB2 B 2.066 ambi=2 { CB:31.77 } atom: 429 41G-HA3 A 3.625 ambi=2 { CA:45.22 } :: atom: 436 42E-HB3 B 1.906 ambi=2 { CB:31.77 } atom: 429 41G-HA3 A 3.625 ambi=2 { CA:45.22 } ::sumAvg: 4.935 atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } atom: 433 42E-H N 7.716 ambi=1 { N:120.731 } ::sumAvg: 4.87 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 433 42E-H N 7.716 ambi=1 { N:120.731 } ::sumAvg: 4.575 atom: 434 42E-HA A 4.655 ambi=1 { CA:54.19 } atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } ::sumAvg: 4.42 atom: 437 42E-HG2 G 2.277 ambi=2 { CG:35.7 } atom: 447 43V-HG1 G1 0.885 ambi=2 { CG1:21.63 } :: atom: 437 42E-HG2 G 2.277 ambi=2 { CG:35.7 } atom: 448 43V-HG2 G2 0.972 ambi=2 { CG2:22.32 } :: atom: 438 42E-HG3 G 2.104 ambi=2 { CG:35.7 } atom: 447 43V-HG1 G1 0.885 ambi=2 { CG1:21.63 } :: atom: 438 42E-HG3 G 2.104 ambi=2 { CG:35.7 } atom: 448 43V-HG2 G2 0.972 ambi=2 { CG2:22.32 } ::sumAvg: 4.575 atom: 447 43V-HG1 G1 0.885 ambi=2 { CG1:21.63 } atom: 437 42E-HG2 G 2.277 ambi=2 { CG:35.7 } :: atom: 448 43V-HG2 G2 0.972 ambi=2 { CG2:22.32 } atom: 437 42E-HG2 G 2.277 ambi=2 { CG:35.7 } :: atom: 447 43V-HG1 G1 0.885 ambi=2 { CG1:21.63 } atom: 438 42E-HG3 G 2.104 ambi=2 { CG:35.7 } :: atom: 448 43V-HG2 G2 0.972 ambi=2 { CG2:22.32 } atom: 438 42E-HG3 G 2.104 ambi=2 { CG:35.7 } ::sumAvg: 4.575 atom: 437 42E-HG2 G 2.277 ambi=2 { CG:35.7 } atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } :: atom: 438 42E-HG3 G 2.104 ambi=2 { CG:35.7 } atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } ::sumAvg: 4.17 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 437 42E-HG2 G 2.277 ambi=2 { CG:35.7 } :: atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 438 42E-HG3 G 2.104 ambi=2 { CG:35.7 } ::sumAvg: 4.17 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 444 43V-H N 8.872 ambi=1 { N:126.8 } ::sumAvg: 4.155 atom: 456 44L-HA A 4.656 ambi=1 { CA:53.75 } atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } ::sumAvg: 4.39 atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } atom: 457 44L-HB2 B 2.053 ambi=2 { CB:44.08 } :: atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } atom: 458 44L-HB3 B 1.591 ambi=2 { CB:44.08 } ::sumAvg: 4.5 atom: 457 44L-HB2 B 2.053 ambi=2 { CB:44.08 } atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } :: atom: 458 44L-HB3 B 1.591 ambi=2 { CB:44.08 } atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } ::sumAvg: 4.5 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 445 43V-HA A 4.025 ambi=1 { CA:64.11 } ::sumAvg: 2.865 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 446 43V-HB B 1.965 ambi=1 { CB:31.5 } ::sumAvg: 4.74 atom: 447 43V-HG1 G1 0.885 ambi=2 { CG1:21.63 } atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } :: atom: 448 43V-HG2 G2 0.972 ambi=2 { CG2:22.32 } atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } ::sumAvg: 4.305 atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } atom: 447 43V-HG1 G1 0.885 ambi=2 { CG1:21.63 } :: atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } atom: 448 43V-HG2 G2 0.972 ambi=2 { CG2:22.32 } ::sumAvg: 4.305 atom: 447 43V-HG1 G1 0.885 ambi=2 { CG1:21.63 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } :: atom: 448 43V-HG2 G2 0.972 ambi=2 { CG2:22.32 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } ::sumAvg: 4.51 atom: 456 44L-HA A 4.656 ambi=1 { CA:53.75 } atom: 459 44L-HG G 0.87 ambi=1 { CG:27.599 } ::sumAvg: 3.12 atom: 471 45E-HB2 B 2.208 ambi=2 { CB:29.83 } atom: 456 44L-HA A 4.656 ambi=1 { CA:53.75 } :: atom: 472 45E-HB3 B 1.89 ambi=2 { CB:29.83 } atom: 456 44L-HA A 4.656 ambi=1 { CA:53.75 } ::sumAvg: 4.515 atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } atom: 456 44L-HA A 4.656 ambi=1 { CA:53.75 } ::sumAvg: 3.5 atom: 456 44L-HA A 4.656 ambi=1 { CA:53.75 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } ::sumAvg: 4.995 atom: 457 44L-HB2 B 2.053 ambi=2 { CB:44.08 } atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } :: atom: 458 44L-HB3 B 1.591 ambi=2 { CB:44.08 } atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } ::sumAvg: 4.685 atom: 458 44L-HB3 B 1.591 ambi=2 { CB:44.08 } atom: 471 45E-HB2 B 2.208 ambi=2 { CB:29.83 } ::sumAvg: 4.77 atom: 457 44L-HB2 B 2.053 ambi=2 { CB:44.08 } atom: 505 48A-H N 8.011 ambi=1 { N:120.2 } :: atom: 458 44L-HB3 B 1.591 ambi=2 { CB:44.08 } atom: 505 48A-H N 8.011 ambi=1 { N:120.2 } ::sumAvg: 4.545 atom: 457 44L-HB2 B 2.053 ambi=2 { CB:44.08 } atom: 512 49F-H N 8.002 ambi=1 { N:123.801 } :: atom: 458 44L-HB3 B 1.591 ambi=2 { CB:44.08 } atom: 512 49F-H N 8.002 ambi=1 { N:123.801 } ::sumAvg: 4.28 atom: 457 44L-HB2 B 2.053 ambi=2 { CB:44.08 } atom: 513 49F-HA A 4.305 ambi=1 { CA:59.969 } :: atom: 458 44L-HB3 B 1.591 ambi=2 { CB:44.08 } atom: 513 49F-HA A 4.305 ambi=1 { CA:59.969 } ::sumAvg: 4.17 atom: 459 44L-HG G 0.87 ambi=1 { CG:27.599 } atom: 469 45E-H N 8.742 ambi=1 { N:122.5 } ::sumAvg: 4.39 atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } atom: 459 44L-HG G 0.87 ambi=1 { CG:27.599 } ::sumAvg: 3.995 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 506 48A-HA A 4.749 ambi=1 { CA:51.78 } ::sumAvg: 4.93 atom: 506 48A-HA A 4.749 ambi=1 { CA:51.78 } atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } ::sumAvg: 4.93 atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } ::sumAvg: 2.875 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 512 49F-H N 8.002 ambi=1 { N:123.801 } ::sumAvg: 4.665 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 513 49F-HA A 4.305 ambi=1 { CA:59.969 } ::sumAvg: 3.645 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 516 49F-QD D 7.046 ambi=3 { CD1:129.618 } ::sumAvg: 3.42 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 543 52T-H N 7.503 ambi=1 { N:117.7 } ::sumAvg: 4.75 atom: 460 44L-QD D 0.91 ambi=2 { QCD:22.76 } atom: 545 52T-HB B 4.046 ambi=1 { CB:69.91 } ::sumAvg: 3.365 atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } atom: 469 45E-H N 8.742 ambi=1 { N:122.5 } ::sumAvg: 2.32 atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } atom: 480 46R-H N 8.674 ambi=1 { N:124.6 } ::sumAvg: 2.355 atom: 481 46R-HA A 2.384 ambi=1 { CA:58.15 } atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } ::sumAvg: 4.28 atom: 482 46R-HB2 B 1.545 ambi=2 { CB:29.05 } atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } :: atom: 483 46R-HB3 B 1.38 ambi=2 { CB:29.05 } atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } ::sumAvg: 4.815 atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } atom: 484 46R-QG G 1.214 ambi=2 { CG:27.01 } ::sumAvg: 4.805 atom: 484 46R-QG G 1.214 ambi=2 { CG:27.01 } atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } ::sumAvg: 4.805 atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } atom: 486 46R-QD D 2.843 ambi=2 { CD:42.47 } ::sumAvg: 4.895 atom: 486 46R-QD D 2.843 ambi=2 { CD:42.47 } atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } ::sumAvg: 4.895 atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } atom: 494 47E-H N 9.01 ambi=1 { N:117.3 } ::sumAvg: 4.38 atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } atom: 505 48A-H N 8.011 ambi=1 { N:120.2 } ::sumAvg: 4.545 atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } ::sumAvg: 4.225 atom: 470 45E-HA A 4.465 ambi=1 { CA:55.27 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } ::sumAvg: 4.63 atom: 471 45E-HB2 B 2.208 ambi=2 { CB:29.83 } atom: 506 48A-HA A 4.749 ambi=1 { CA:51.78 } :: atom: 472 45E-HB3 B 1.89 ambi=2 { CB:29.83 } atom: 506 48A-HA A 4.749 ambi=1 { CA:51.78 } ::sumAvg: 4.38 atom: 506 48A-HA A 4.749 ambi=1 { CA:51.78 } atom: 471 45E-HB2 B 2.208 ambi=2 { CB:29.83 } :: atom: 506 48A-HA A 4.749 ambi=1 { CA:51.78 } atom: 472 45E-HB3 B 1.89 ambi=2 { CB:29.83 } ::sumAvg: 4.38 atom: 473 45E-HG2 G 2.409 ambi=2 { CG:36.089 } atom: 482 46R-HB2 B 1.545 ambi=2 { CB:29.05 } :: atom: 473 45E-HG2 G 2.409 ambi=2 { CG:36.089 } atom: 483 46R-HB3 B 1.38 ambi=2 { CB:29.05 } :: atom: 474 45E-HG3 G 2.332 ambi=2 { CG:36.089 } atom: 482 46R-HB2 B 1.545 ambi=2 { CB:29.05 } :: atom: 474 45E-HG3 G 2.332 ambi=2 { CG:36.089 } atom: 483 46R-HB3 B 1.38 ambi=2 { CB:29.05 } ::sumAvg: 4.97 atom: 473 45E-HG2 G 2.409 ambi=2 { CG:36.089 } atom: 484 46R-QG G 1.214 ambi=2 { CG:27.01 } :: atom: 474 45E-HG3 G 2.332 ambi=2 { CG:36.089 } atom: 484 46R-QG G 1.214 ambi=2 { CG:27.01 } ::sumAvg: 4.7 atom: 486 46R-QD D 2.843 ambi=2 { CD:42.47 } atom: 480 46R-H N 8.674 ambi=1 { N:124.6 } ::sumAvg: 3.315 atom: 496 47E-QB B 2.018 ambi=2 { CB:28.59 } atom: 480 46R-H N 8.674 ambi=1 { N:124.6 } ::sumAvg: 4.99 atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } atom: 480 46R-H N 8.674 ambi=1 { N:124.6 } ::sumAvg: 4.92 atom: 481 46R-HA A 2.384 ambi=1 { CA:58.15 } atom: 495 47E-HA A 4.008 ambi=1 { CA:58.72 } ::sumAvg: 4.67 atom: 495 47E-HA A 4.008 ambi=1 { CA:58.72 } atom: 481 46R-HA A 2.384 ambi=1 { CA:58.15 } ::sumAvg: 4.67 atom: 481 46R-HA A 2.384 ambi=1 { CA:58.15 } atom: 514 49F-HB2 B 3.327 ambi=1 { CB:36.82 } ::sumAvg: 4.905 atom: 514 49F-HB2 B 3.327 ambi=1 { CB:36.82 } atom: 481 46R-HA A 2.384 ambi=1 { CA:58.15 } ::sumAvg: 4.905 atom: 482 46R-HB2 B 1.545 ambi=2 { CB:29.05 } atom: 495 47E-HA A 4.008 ambi=1 { CA:58.72 } :: atom: 483 46R-HB3 B 1.38 ambi=2 { CB:29.05 } atom: 495 47E-HA A 4.008 ambi=1 { CA:58.72 } ::sumAvg: 4.465 atom: 495 47E-HA A 4.008 ambi=1 { CA:58.72 } atom: 482 46R-HB2 B 1.545 ambi=2 { CB:29.05 } :: atom: 495 47E-HA A 4.008 ambi=1 { CA:58.72 } atom: 483 46R-HB3 B 1.38 ambi=2 { CB:29.05 } ::sumAvg: 4.465 atom: 482 46R-HB2 B 1.545 ambi=2 { CB:29.05 } atom: 496 47E-QB B 2.018 ambi=2 { CB:28.59 } :: atom: 483 46R-HB3 B 1.38 ambi=2 { CB:29.05 } atom: 496 47E-QB B 2.018 ambi=2 { CB:28.59 } ::sumAvg: 4.67 atom: 498 47E-HG2 G 2.356 ambi=2 { CG:36.57 } atom: 482 46R-HB2 B 1.545 ambi=2 { CB:29.05 } :: atom: 499 47E-HG3 G 2.238 ambi=2 { CG:36.57 } atom: 482 46R-HB2 B 1.545 ambi=2 { CB:29.05 } :: atom: 498 47E-HG2 G 2.356 ambi=2 { CG:36.57 } atom: 483 46R-HB3 B 1.38 ambi=2 { CB:29.05 } :: atom: 499 47E-HG3 G 2.238 ambi=2 { CG:36.57 } atom: 483 46R-HB3 B 1.38 ambi=2 { CB:29.05 } ::sumAvg: 4.81 atom: 482 46R-HB2 B 1.545 ambi=2 { CB:29.05 } atom: 516 49F-QD D 7.046 ambi=3 { CD1:129.618 } :: atom: 483 46R-HB3 B 1.38 ambi=2 { CB:29.05 } atom: 516 49F-QD D 7.046 ambi=3 { CD1:129.618 } ::sumAvg: 4.725 atom: 482 46R-HB2 B 1.545 ambi=2 { CB:29.05 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } :: atom: 483 46R-HB3 B 1.38 ambi=2 { CB:29.05 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } ::sumAvg: 4.35 atom: 484 46R-QG G 1.214 ambi=2 { CG:27.01 } atom: 495 47E-HA A 4.008 ambi=1 { CA:58.72 } ::sumAvg: 4.695 atom: 495 47E-HA A 4.008 ambi=1 { CA:58.72 } atom: 484 46R-QG G 1.214 ambi=2 { CG:27.01 } ::sumAvg: 4.695 atom: 484 46R-QG G 1.214 ambi=2 { CG:27.01 } atom: 496 47E-QB B 2.018 ambi=2 { CB:28.59 } ::sumAvg: 4.35 atom: 496 47E-QB B 2.018 ambi=2 { CB:28.59 } atom: 484 46R-QG G 1.214 ambi=2 { CG:27.01 } ::sumAvg: 4.35 atom: 484 46R-QG G 1.214 ambi=2 { CG:27.01 } atom: 505 48A-H N 8.011 ambi=1 { N:120.2 } ::sumAvg: 4.9 atom: 484 46R-QG G 1.214 ambi=2 { CG:27.01 } atom: 516 49F-QD D 7.046 ambi=3 { CD1:129.618 } ::sumAvg: 4.655 atom: 484 46R-QG G 1.214 ambi=2 { CG:27.01 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } ::sumAvg: 3.95 atom: 486 46R-QD D 2.843 ambi=2 { CD:42.47 } atom: 494 47E-H N 9.01 ambi=1 { N:117.3 } ::sumAvg: 4.63 atom: 506 48A-HA A 4.749 ambi=1 { CA:51.78 } atom: 494 47E-H N 9.01 ambi=1 { N:117.3 } ::sumAvg: 4.925 atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } atom: 494 47E-H N 9.01 ambi=1 { N:117.3 } ::sumAvg: 3.985 atom: 495 47E-HA A 4.008 ambi=1 { CA:58.72 } atom: 506 48A-HA A 4.749 ambi=1 { CA:51.78 } ::sumAvg: 4.69 atom: 506 48A-HA A 4.749 ambi=1 { CA:51.78 } atom: 495 47E-HA A 4.008 ambi=1 { CA:58.72 } ::sumAvg: 4.69 atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } atom: 495 47E-HA A 4.008 ambi=1 { CA:58.72 } ::sumAvg: 4.88 atom: 495 47E-HA A 4.008 ambi=1 { CA:58.72 } atom: 514 49F-HB2 B 3.327 ambi=1 { CB:36.82 } ::sumAvg: 4.525 atom: 514 49F-HB2 B 3.327 ambi=1 { CB:36.82 } atom: 495 47E-HA A 4.008 ambi=1 { CA:58.72 } ::sumAvg: 4.525 atom: 495 47E-HA A 4.008 ambi=1 { CA:58.72 } atom: 516 49F-QD D 7.046 ambi=3 { CD1:129.618 } ::sumAvg: 4.55 atom: 495 47E-HA A 4.008 ambi=1 { CA:58.72 } atom: 528 50D-H N 8.558 ambi=1 { N:115.5 } ::sumAvg: 4.475 atom: 495 47E-HA A 4.008 ambi=1 { CA:58.72 } atom: 530 50D-QB B 2.7 ambi=2 { CB:40.35 } ::sumAvg: 4.81 atom: 530 50D-QB B 2.7 ambi=2 { CB:40.35 } atom: 495 47E-HA A 4.008 ambi=1 { CA:58.72 } ::sumAvg: 4.81 atom: 496 47E-QB B 2.018 ambi=2 { CB:28.59 } atom: 506 48A-HA A 4.749 ambi=1 { CA:51.78 } ::sumAvg: 4.22 atom: 506 48A-HA A 4.749 ambi=1 { CA:51.78 } atom: 496 47E-QB B 2.018 ambi=2 { CB:28.59 } ::sumAvg: 4.22 atom: 496 47E-QB B 2.018 ambi=2 { CB:28.59 } atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } ::sumAvg: 4.215 atom: 506 48A-HA A 4.749 ambi=1 { CA:51.78 } atom: 513 49F-HA A 4.305 ambi=1 { CA:59.969 } ::sumAvg: 4.85 atom: 513 49F-HA A 4.305 ambi=1 { CA:59.969 } atom: 506 48A-HA A 4.749 ambi=1 { CA:51.78 } ::sumAvg: 4.85 atom: 506 48A-HA A 4.749 ambi=1 { CA:51.78 } atom: 528 50D-H N 8.558 ambi=1 { N:115.5 } ::sumAvg: 3.925 atom: 506 48A-HA A 4.749 ambi=1 { CA:51.78 } atom: 530 50D-QB B 2.7 ambi=2 { CB:40.35 } ::sumAvg: 4.95 atom: 530 50D-QB B 2.7 ambi=2 { CB:40.35 } atom: 506 48A-HA A 4.749 ambi=1 { CA:51.78 } ::sumAvg: 4.95 atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } atom: 513 49F-HA A 4.305 ambi=1 { CA:59.969 } ::sumAvg: 4 atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } atom: 516 49F-QD D 7.046 ambi=3 { CD1:129.618 } ::sumAvg: 3.865 atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } atom: 518 49F-QE E 7.203 ambi=3 { CE1:131.501 } ::sumAvg: 4.695 atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } atom: 545 52T-HB B 4.046 ambi=1 { CB:69.91 } ::sumAvg: 4.56 atom: 545 52T-HB B 4.046 ambi=1 { CB:69.91 } atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } ::sumAvg: 4.56 atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } atom: 546 52T-HG2 G2 1.149 ambi=1 { CG2:21.18 } ::sumAvg: 4.965 atom: 546 52T-HG2 G2 1.149 ambi=1 { CG2:21.18 } atom: 507 48A-HB B 1.598 ambi=1 { CB:19.39 } ::sumAvg: 4.965 atom: 538 51A-HB B 1.475 ambi=1 { CB:20.28 } atom: 512 49F-H N 8.002 ambi=1 { N:123.801 } ::sumAvg: 4.98 atom: 514 49F-HB2 B 3.327 ambi=1 { CB:36.82 } atom: 529 50D-HA A 4.561 ambi=1 { CA:56.1 } :: atom: 515 49F-HB3 B 3.42 ambi=1 { CB:36.82 } atom: 529 50D-HA A 4.561 ambi=1 { CA:56.1 } ::sumAvg: 4.45 atom: 514 49F-HB2 B 3.327 ambi=1 { CB:36.82 } atom: 530 50D-QB B 2.7 ambi=2 { CB:40.35 } ::sumAvg: 4.345 atom: 530 50D-QB B 2.7 ambi=2 { CB:40.35 } atom: 514 49F-HB2 B 3.327 ambi=1 { CB:36.82 } ::sumAvg: 4.345 atom: 545 52T-HB B 4.046 ambi=1 { CB:69.91 } atom: 516 49F-QD D 7.046 ambi=3 { CD1:129.618 } ::sumAvg: 4.895 atom: 538 51A-HB B 1.475 ambi=1 { CB:20.28 } atom: 528 50D-H N 8.558 ambi=1 { N:115.5 } ::sumAvg: 4.215 atom: 529 50D-HA A 4.561 ambi=1 { CA:56.1 } atom: 536 51A-H N 7.539 ambi=1 { N:119.5 } ::sumAvg: 3.505 atom: 529 50D-HA A 4.561 ambi=1 { CA:56.1 } atom: 538 51A-HB B 1.475 ambi=1 { CB:20.28 } ::sumAvg: 4.995 atom: 538 51A-HB B 1.475 ambi=1 { CB:20.28 } atom: 529 50D-HA A 4.561 ambi=1 { CA:56.1 } ::sumAvg: 4.995 atom: 529 50D-HA A 4.561 ambi=1 { CA:56.1 } atom: 543 52T-H N 7.503 ambi=1 { N:117.7 } ::sumAvg: 4.37 atom: 530 50D-QB B 2.7 ambi=2 { CB:40.35 } atom: 537 51A-HA A 4.498 ambi=1 { CA:51.85 } ::sumAvg: 4.065 atom: 538 51A-HB B 1.475 ambi=1 { CB:20.28 } atom: 530 50D-QB B 2.7 ambi=2 { CB:40.35 } ::sumAvg: 3.955 atom: 538 51A-HB B 1.475 ambi=1 { CB:20.28 } atom: 544 52T-HA A 4.376 ambi=1 { CA:63.45 } ::sumAvg: 4.015 atom: 544 52T-HA A 4.376 ambi=1 { CA:63.45 } atom: 538 51A-HB B 1.475 ambi=1 { CB:20.28 } ::sumAvg: 4.015 atom: 538 51A-HB B 1.475 ambi=1 { CB:20.28 } atom: 545 52T-HB B 4.046 ambi=1 { CB:69.91 } ::sumAvg: 4.62 atom: 545 52T-HB B 4.046 ambi=1 { CB:69.91 } atom: 538 51A-HB B 1.475 ambi=1 { CB:20.28 } ::sumAvg: 4.62 atom: 546 52T-HG2 G2 1.149 ambi=1 { CG2:21.18 } atom: 543 52T-H N 7.503 ambi=1 { N:117.7 } ::sumAvg: 3.86 atom: 544 52T-HA A 4.376 ambi=1 { CA:63.45 } atom: 555 53T-HG2 G2 1.083 ambi=1 { CG2:22.27 } ::sumAvg: 4.625 atom: 555 53T-HG2 G2 1.083 ambi=1 { CG2:22.27 } atom: 544 52T-HA A 4.376 ambi=1 { CA:63.45 } ::sumAvg: 4.625 atom: 545 52T-HB B 4.046 ambi=1 { CB:69.91 } atom: 552 53T-H N 8.354 ambi=1 { N:120.7 } ::sumAvg: 4.35 atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } atom: 545 52T-HB B 4.046 ambi=1 { CB:69.91 } :: atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } atom: 545 52T-HB B 4.046 ambi=1 { CB:69.91 } ::sumAvg: 4.435 atom: 546 52T-HG2 G2 1.149 ambi=1 { CG2:21.18 } atom: 553 53T-HA A 4.521 ambi=1 { CA:62.11 } ::sumAvg: 3.995 atom: 553 53T-HA A 4.521 ambi=1 { CA:62.11 } atom: 546 52T-HG2 G2 1.149 ambi=1 { CG2:21.18 } ::sumAvg: 3.995 atom: 546 52T-HG2 G2 1.149 ambi=1 { CG2:21.18 } atom: 561 54V-H N 9.223 ambi=1 { N:126.2 } ::sumAvg: 4.295 atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } atom: 546 52T-HG2 G2 1.149 ambi=1 { CG2:21.18 } ::sumAvg: 4.015 atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } atom: 546 52T-HG2 G2 1.149 ambi=1 { CG2:21.18 } ::sumAvg: 3.1 atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } atom: 552 53T-H N 8.354 ambi=1 { N:120.7 } :: atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } atom: 552 53T-H N 8.354 ambi=1 { N:120.7 } ::sumAvg: 4.82 atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } atom: 553 53T-HA A 4.521 ambi=1 { CA:62.11 } :: atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } atom: 553 53T-HA A 4.521 ambi=1 { CA:62.11 } ::sumAvg: 3.51 atom: 576 55K-HG2 G 1.487 ambi=2 { CG:23.547 } atom: 554 53T-HB B 3.952 ambi=1 { CB:70.38 } :: atom: 577 55K-HG3 G 1.271 ambi=2 { CG:23.547 } atom: 554 53T-HB B 3.952 ambi=1 { CB:70.38 } ::sumAvg: 4.89 atom: 554 53T-HB B 3.952 ambi=1 { CB:70.38 } atom: 578 55K-QD D 1.64 ambi=2 { CD:29.005 } ::sumAvg: 4.945 atom: 578 55K-QD D 1.64 ambi=2 { CD:29.005 } atom: 554 53T-HB B 3.952 ambi=1 { CB:70.38 } ::sumAvg: 4.945 atom: 555 53T-HG2 G2 1.083 ambi=1 { CG2:22.27 } atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } ::sumAvg: 4.685 atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } atom: 555 53T-HG2 G2 1.083 ambi=1 { CG2:22.27 } ::sumAvg: 4.685 atom: 555 53T-HG2 G2 1.083 ambi=1 { CG2:22.27 } atom: 576 55K-HG2 G 1.487 ambi=2 { CG:23.547 } ::sumAvg: 4.76 atom: 576 55K-HG2 G 1.487 ambi=2 { CG:23.547 } atom: 555 53T-HG2 G2 1.083 ambi=1 { CG2:22.27 } ::sumAvg: 4.76 atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } atom: 573 55K-HA A 4.847 ambi=1 { CA:54.265 } ::sumAvg: 4.465 atom: 573 55K-HA A 4.847 ambi=1 { CA:54.265 } atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } ::sumAvg: 4.465 atom: 574 55K-HB2 B 1.864 ambi=2 { CB:36.111 } atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } :: atom: 575 55K-HB3 B 1.702 ambi=2 { CB:36.111 } atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } ::sumAvg: 4.55 atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } atom: 576 55K-HG2 G 1.487 ambi=2 { CG:23.547 } :: atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } atom: 577 55K-HG3 G 1.271 ambi=2 { CG:23.547 } ::sumAvg: 4.145 atom: 576 55K-HG2 G 1.487 ambi=2 { CG:23.547 } atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } :: atom: 577 55K-HG3 G 1.271 ambi=2 { CG:23.547 } atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } ::sumAvg: 4.145 atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } atom: 578 55K-QD D 1.64 ambi=2 { CD:29.005 } ::sumAvg: 4.21 atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } :: atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } ::sumAvg: 4.195 atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } :: atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } atom: 562 54V-HA A 4.256 ambi=1 { CA:61.33 } ::sumAvg: 4.195 atom: 563 54V-HB B 1.88 ambi=1 { CB:33.09 } atom: 573 55K-HA A 4.847 ambi=1 { CA:54.265 } ::sumAvg: 4.675 atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } atom: 573 55K-HA A 4.847 ambi=1 { CA:54.265 } :: atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } atom: 573 55K-HA A 4.847 ambi=1 { CA:54.265 } ::sumAvg: 3.535 atom: 574 55K-HB2 B 1.864 ambi=2 { CB:36.111 } atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } :: atom: 575 55K-HB3 B 1.702 ambi=2 { CB:36.111 } atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } :: atom: 574 55K-HB2 B 1.864 ambi=2 { CB:36.111 } atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } :: atom: 575 55K-HB3 B 1.702 ambi=2 { CB:36.111 } atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } ::sumAvg: 4.73 atom: 576 55K-HG2 G 1.487 ambi=2 { CG:23.547 } atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } :: atom: 577 55K-HG3 G 1.271 ambi=2 { CG:23.547 } atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } :: atom: 576 55K-HG2 G 1.487 ambi=2 { CG:23.547 } atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } ::sumAvg: 4.625 atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } atom: 589 56D-H N 8.111 ambi=1 { N:116.7 } :: atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } atom: 589 56D-H N 8.111 ambi=1 { N:116.7 } ::sumAvg: 4.57 atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } atom: 597 57G-H N 9.33 ambi=1 { N:113.9 } :: atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } atom: 597 57G-H N 9.33 ambi=1 { N:113.9 } ::sumAvg: 4.96 atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } atom: 603 58D-H N 8.104 ambi=1 { N:122.6 } :: atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } atom: 603 58D-H N 8.104 ambi=1 { N:122.6 } ::sumAvg: 4.28 atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } :: atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } ::sumAvg: 4.9 atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } atom: 564 54V-HG1 G1 0.739 ambi=2 { CG1:21.43 } :: atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } atom: 565 54V-HG2 G2 0.898 ambi=2 { CG2:22.14 } ::sumAvg: 4.9 atom: 578 55K-QD D 1.64 ambi=2 { CD:29.005 } atom: 572 55K-H N 9.074 ambi=1 { N:124.7 } ::sumAvg: 3.335 atom: 580 55K-QE E 3.04 ambi=2 { CE:42.297 } atom: 572 55K-H N 9.074 ambi=1 { N:124.7 } ::sumAvg: 4.46 atom: 573 55K-HA A 4.847 ambi=1 { CA:54.265 } atom: 578 55K-QD D 1.64 ambi=2 { CD:29.005 } ::sumAvg: 4.045 atom: 578 55K-QD D 1.64 ambi=2 { CD:29.005 } atom: 573 55K-HA A 4.847 ambi=1 { CA:54.265 } ::sumAvg: 4.045 atom: 573 55K-HA A 4.847 ambi=1 { CA:54.265 } atom: 580 55K-QE E 3.04 ambi=2 { CE:42.297 } ::sumAvg: 4.76 atom: 580 55K-QE E 3.04 ambi=2 { CE:42.297 } atom: 573 55K-HA A 4.847 ambi=1 { CA:54.265 } ::sumAvg: 4.76 atom: 573 55K-HA A 4.847 ambi=1 { CA:54.265 } atom: 591 56D-HB2 B 2.704 ambi=2 { CB:43.07 } :: atom: 573 55K-HA A 4.847 ambi=1 { CA:54.265 } atom: 592 56D-HB3 B 2.633 ambi=2 { CB:43.07 } ::sumAvg: 4.54 atom: 574 55K-HB2 B 1.864 ambi=2 { CB:36.111 } atom: 580 55K-QE E 3.04 ambi=2 { CE:42.297 } :: atom: 575 55K-HB3 B 1.702 ambi=2 { CB:36.111 } atom: 580 55K-QE E 3.04 ambi=2 { CE:42.297 } ::sumAvg: 2.985 atom: 576 55K-HG2 G 1.487 ambi=2 { CG:23.547 } atom: 589 56D-H N 8.111 ambi=1 { N:116.7 } :: atom: 577 55K-HG3 G 1.271 ambi=2 { CG:23.547 } atom: 589 56D-H N 8.111 ambi=1 { N:116.7 } ::sumAvg: 3.765 atom: 576 55K-HG2 G 1.487 ambi=2 { CG:23.547 } atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } :: atom: 576 55K-HG2 G 1.487 ambi=2 { CG:23.547 } atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } :: atom: 577 55K-HG3 G 1.271 ambi=2 { CG:23.547 } atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } :: atom: 577 55K-HG3 G 1.271 ambi=2 { CG:23.547 } atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } ::sumAvg: 4.36 atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } atom: 576 55K-HG2 G 1.487 ambi=2 { CG:23.547 } :: atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } atom: 576 55K-HG2 G 1.487 ambi=2 { CG:23.547 } :: atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } atom: 577 55K-HG3 G 1.271 ambi=2 { CG:23.547 } :: atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } atom: 577 55K-HG3 G 1.271 ambi=2 { CG:23.547 } ::sumAvg: 4.36 atom: 578 55K-QD D 1.64 ambi=2 { CD:29.005 } atom: 591 56D-HB2 B 2.704 ambi=2 { CB:43.07 } :: atom: 578 55K-QD D 1.64 ambi=2 { CD:29.005 } atom: 592 56D-HB3 B 2.633 ambi=2 { CB:43.07 } ::sumAvg: 4.82 atom: 591 56D-HB2 B 2.704 ambi=2 { CB:43.07 } atom: 578 55K-QD D 1.64 ambi=2 { CD:29.005 } :: atom: 592 56D-HB3 B 2.633 ambi=2 { CB:43.07 } atom: 578 55K-QD D 1.64 ambi=2 { CD:29.005 } ::sumAvg: 4.82 atom: 580 55K-QE E 3.04 ambi=2 { CE:42.297 } atom: 589 56D-H N 8.111 ambi=1 { N:116.7 } ::sumAvg: 4.38 atom: 590 56D-HA A 4.553 ambi=1 { CA:56.04 } atom: 589 56D-H N 8.111 ambi=1 { N:116.7 } ::sumAvg: 2.57 atom: 590 56D-HA A 4.553 ambi=1 { CA:56.04 } atom: 599 57G-HA3 A 3.652 ambi=2 { CA:44.869 } ::sumAvg: 4.365 atom: 599 57G-HA3 A 3.652 ambi=2 { CA:44.869 } atom: 590 56D-HA A 4.553 ambi=1 { CA:56.04 } ::sumAvg: 4.365 atom: 590 56D-HA A 4.553 ambi=1 { CA:56.04 } atom: 603 58D-H N 8.104 ambi=1 { N:122.6 } ::sumAvg: 4.135 atom: 598 57G-HA2 A 4.343 ambi=2 { CA:44.869 } atom: 591 56D-HB2 B 2.704 ambi=2 { CB:43.07 } :: atom: 599 57G-HA3 A 3.652 ambi=2 { CA:44.869 } atom: 591 56D-HB2 B 2.704 ambi=2 { CB:43.07 } :: atom: 598 57G-HA2 A 4.343 ambi=2 { CA:44.869 } atom: 592 56D-HB3 B 2.633 ambi=2 { CB:43.07 } :: atom: 599 57G-HA3 A 3.652 ambi=2 { CA:44.869 } atom: 592 56D-HB3 B 2.633 ambi=2 { CB:43.07 } ::sumAvg: 4.685 atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } atom: 597 57G-H N 9.33 ambi=1 { N:113.9 } ::sumAvg: 4.925 atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } atom: 597 57G-H N 9.33 ambi=1 { N:113.9 } :: atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } atom: 597 57G-H N 9.33 ambi=1 { N:113.9 } ::sumAvg: 4.315 atom: 598 57G-HA2 A 4.343 ambi=2 { CA:44.869 } atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } :: atom: 599 57G-HA3 A 3.652 ambi=2 { CA:44.869 } atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } ::sumAvg: 4.405 atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } atom: 598 57G-HA2 A 4.343 ambi=2 { CA:44.869 } :: atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } atom: 599 57G-HA3 A 3.652 ambi=2 { CA:44.869 } ::sumAvg: 4.405 atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } atom: 603 58D-H N 8.104 ambi=1 { N:122.6 } ::sumAvg: 2.925 atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } atom: 603 58D-H N 8.104 ambi=1 { N:122.6 } ::sumAvg: 4.975 atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } ::sumAvg: 4.455 atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } ::sumAvg: 4.455 atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } ::sumAvg: 3.905 atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 604 58D-HA A 4.808 ambi=1 { CA:55.7 } ::sumAvg: 3.905 atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } :: atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } ::sumAvg: 4.555 atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } :: atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } ::sumAvg: 4.555 atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } :: atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } ::sumAvg: 4.96 atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } :: atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } ::sumAvg: 4.96 atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } :: atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } :: atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } :: atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } ::sumAvg: 3.84 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 605 58D-HB2 B 2.912 ambi=2 { CB:42.08 } :: atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 606 58D-HB3 B 2.349 ambi=2 { CB:42.08 } ::sumAvg: 3.84 atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } atom: 611 59A-H N 8.326 ambi=1 { N:121.1 } ::sumAvg: 4.725 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 611 59A-H N 8.326 ambi=1 { N:121.1 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 611 59A-H N 8.326 ambi=1 { N:121.1 } ::sumAvg: 4.665 atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } ::sumAvg: 4.585 atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } ::sumAvg: 4.585 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 612 59A-HA A 5.208 ambi=1 { CA:50.11 } ::sumAvg: 3.795 atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } ::sumAvg: 4.17 atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } ::sumAvg: 4.17 atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } :: atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } ::sumAvg: 4.57 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } ::sumAvg: 4.57 atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 633 61E-HG2 G 2.02 ambi=2 { CG:35.798 } :: atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } atom: 634 61E-HG3 G 2.196 ambi=2 { CG:35.798 } ::sumAvg: 4.565 atom: 633 61E-HG2 G 2.02 ambi=2 { CG:35.798 } atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } :: atom: 634 61E-HG3 G 2.196 ambi=2 { CG:35.798 } atom: 613 59A-HB B 1.356 ambi=1 { CB:20.76 } ::sumAvg: 4.565 atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } ::sumAvg: 4.465 atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } ::sumAvg: 4.465 atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } atom: 631 61E-HB2 B 1.733 ambi=2 { CB:32.477 } :: atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } atom: 632 61E-HB3 B 1.969 ambi=2 { CB:32.477 } ::sumAvg: 4.6 atom: 631 61E-HB2 B 1.733 ambi=2 { CB:32.477 } atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } :: atom: 632 61E-HB3 B 1.969 ambi=2 { CB:32.477 } atom: 619 60V-HA A 4.117 ambi=1 { CA:61.83 } ::sumAvg: 4.6 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } ::sumAvg: 4.05 atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } :: atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } ::sumAvg: 4.05 atom: 621 60V-HG1 G1 0.7824 ambi=2 { CG1:20.68 } atom: 640 62F-H N 9.075 ambi=1 { N:122 } :: atom: 622 60V-HG2 G2 0.558 ambi=2 { CG2:22.59 } atom: 640 62F-H N 9.075 ambi=1 { N:122 } ::sumAvg: 3.46 atom: 633 61E-HG2 G 2.02 ambi=2 { CG:35.798 } atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } :: atom: 634 61E-HG3 G 2.196 ambi=2 { CG:35.798 } atom: 629 61E-H N 9.027 ambi=1 { N:123.9 } ::sumAvg: 3.34 atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } ::sumAvg: 4.47 atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } ::sumAvg: 4.47 atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } atom: 642 62F-HB2 B 2.986 ambi=2 { CB:39.64 } :: atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } atom: 643 62F-HB3 B 2.754 ambi=2 { CB:39.64 } ::sumAvg: 4.56 atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } atom: 644 62F-QD D 7.058 ambi=3 { CD1:131.039 } ::sumAvg: 4.955 atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } :: atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } ::sumAvg: 4.31 atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } :: atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } atom: 630 61E-HA A 4.778 ambi=1 { CA:54.152 } ::sumAvg: 4.31 atom: 631 61E-HB2 B 1.733 ambi=2 { CB:32.477 } atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } :: atom: 632 61E-HB3 B 1.969 ambi=2 { CB:32.477 } atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } ::sumAvg: 4.895 atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } atom: 631 61E-HB2 B 1.733 ambi=2 { CB:32.477 } :: atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } atom: 632 61E-HB3 B 1.969 ambi=2 { CB:32.477 } ::sumAvg: 4.895 atom: 632 61E-HB3 B 1.969 ambi=2 { CB:32.477 } atom: 662 63L-HG G 1.417 ambi=1 { CG:27.27 } ::sumAvg: 4.885 atom: 662 63L-HG G 1.417 ambi=1 { CG:27.27 } atom: 632 61E-HB3 B 1.969 ambi=2 { CB:32.477 } ::sumAvg: 4.885 atom: 633 61E-HG2 G 2.02 ambi=2 { CG:35.798 } atom: 640 62F-H N 9.075 ambi=1 { N:122 } :: atom: 634 61E-HG3 G 2.196 ambi=2 { CG:35.798 } atom: 640 62F-H N 9.075 ambi=1 { N:122 } ::sumAvg: 4.445 atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } atom: 640 62F-H N 9.075 ambi=1 { N:122 } :: atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } atom: 640 62F-H N 9.075 ambi=1 { N:122 } ::sumAvg: 4.31 atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } ::sumAvg: 4.585 atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } atom: 659 63L-HA A 4.643 ambi=1 { CA:53.63 } ::sumAvg: 4.45 atom: 659 63L-HA A 4.643 ambi=1 { CA:53.63 } atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } ::sumAvg: 4.45 atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } :: atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } ::sumAvg: 4.795 atom: 662 63L-HG G 1.417 ambi=1 { CG:27.27 } atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } ::sumAvg: 4.535 atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } :: atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } ::sumAvg: 3.73 atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } :: atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } atom: 641 62F-HA A 5.317 ambi=1 { CA:54.91 } ::sumAvg: 3.73 atom: 642 62F-HB2 B 2.986 ambi=2 { CB:39.64 } atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } :: atom: 643 62F-HB3 B 2.754 ambi=2 { CB:39.64 } atom: 646 62F-QE E 6.959 ambi=3 { CE1:130.989 } ::sumAvg: 4.375 atom: 642 62F-HB2 B 2.986 ambi=2 { CB:39.64 } atom: 659 63L-HA A 4.643 ambi=1 { CA:53.63 } :: atom: 643 62F-HB3 B 2.754 ambi=2 { CB:39.64 } atom: 659 63L-HA A 4.643 ambi=1 { CA:53.63 } ::sumAvg: 4.62 atom: 659 63L-HA A 4.643 ambi=1 { CA:53.63 } atom: 642 62F-HB2 B 2.986 ambi=2 { CB:39.64 } :: atom: 659 63L-HA A 4.643 ambi=1 { CA:53.63 } atom: 643 62F-HB3 B 2.754 ambi=2 { CB:39.64 } ::sumAvg: 4.62 atom: 674 64Y-HB2 B 2.884 ambi=2 { CB:39.69 } atom: 659 63L-HA A 4.643 ambi=1 { CA:53.63 } :: atom: 675 64Y-HB3 B 2.7 ambi=2 { CB:39.69 } atom: 659 63L-HA A 4.643 ambi=1 { CA:53.63 } ::sumAvg: 4.625 atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } atom: 673 64Y-HA A 4.758 ambi=1 { CA:57.46 } :: atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } atom: 673 64Y-HA A 4.758 ambi=1 { CA:57.46 } ::sumAvg: 4.835 atom: 673 64Y-HA A 4.758 ambi=1 { CA:57.46 } atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } :: atom: 673 64Y-HA A 4.758 ambi=1 { CA:57.46 } atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } ::sumAvg: 4.835 atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } atom: 674 64Y-HB2 B 2.884 ambi=2 { CB:39.69 } :: atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } atom: 675 64Y-HB3 B 2.7 ambi=2 { CB:39.69 } :: atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } atom: 674 64Y-HB2 B 2.884 ambi=2 { CB:39.69 } :: atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } atom: 675 64Y-HB3 B 2.7 ambi=2 { CB:39.69 } ::sumAvg: 4.92 atom: 674 64Y-HB2 B 2.884 ambi=2 { CB:39.69 } atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } :: atom: 675 64Y-HB3 B 2.7 ambi=2 { CB:39.69 } atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } :: atom: 674 64Y-HB2 B 2.884 ambi=2 { CB:39.69 } atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } :: atom: 675 64Y-HB3 B 2.7 ambi=2 { CB:39.69 } atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } ::sumAvg: 4.92 atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } atom: 676 64Y-QD D 7.038 ambi=3 { CD1:133.21 } :: atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } atom: 676 64Y-QD D 7.038 ambi=3 { CD1:133.21 } ::sumAvg: 3.83 atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } atom: 690 65F-HB2 B 3.166 ambi=2 { CB:39.34 } :: atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } atom: 691 65F-HB3 B 3.012 ambi=2 { CB:39.34 } :: atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } atom: 690 65F-HB2 B 3.166 ambi=2 { CB:39.34 } :: atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } atom: 691 65F-HB3 B 3.012 ambi=2 { CB:39.34 } ::sumAvg: 4.825 atom: 690 65F-HB2 B 3.166 ambi=2 { CB:39.34 } atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } :: atom: 691 65F-HB3 B 3.012 ambi=2 { CB:39.34 } atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } :: atom: 690 65F-HB2 B 3.166 ambi=2 { CB:39.34 } atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } :: atom: 691 65F-HB3 B 3.012 ambi=2 { CB:39.34 } atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } ::sumAvg: 4.825 atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } :: atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } ::sumAvg: 3.905 atom: 660 63L-HB2 B 1.428 ambi=2 { CB:44.68 } atom: 694 65F-QE E 7.046 ambi=3 { CE1:132.978 } :: atom: 661 63L-HB3 B 1.259 ambi=2 { CB:44.68 } atom: 694 65F-QE E 7.046 ambi=3 { CE1:132.978 } ::sumAvg: 4.575 atom: 662 63L-HG G 1.417 ambi=1 { CG:27.27 } atom: 672 64Y-H N 8.669 ambi=1 { N:120.1 } ::sumAvg: 4.47 atom: 662 63L-HG G 1.417 ambi=1 { CG:27.27 } atom: 676 64Y-QD D 7.038 ambi=3 { CD1:133.21 } ::sumAvg: 4.525 atom: 662 63L-HG G 1.417 ambi=1 { CG:27.27 } atom: 688 65F-H N 8.688 ambi=1 { N:122.1 } ::sumAvg: 4.685 atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } atom: 672 64Y-H N 8.669 ambi=1 { N:120.1 } :: atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } atom: 672 64Y-H N 8.669 ambi=1 { N:120.1 } ::sumAvg: 4.205 atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } atom: 676 64Y-QD D 7.038 ambi=3 { CD1:133.21 } :: atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } atom: 676 64Y-QD D 7.038 ambi=3 { CD1:133.21 } ::sumAvg: 3.455 atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } atom: 678 64Y-QE E 6.794 ambi=3 { CE1:118.117 } :: atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } atom: 678 64Y-QE E 6.794 ambi=3 { CE1:118.117 } ::sumAvg: 3.875 atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } atom: 688 65F-H N 8.688 ambi=1 { N:122.1 } :: atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } atom: 688 65F-H N 8.688 ambi=1 { N:122.1 } ::sumAvg: 4.64 atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } :: atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } ::sumAvg: 4.55 atom: 663 63L-HD1 D1 0.778 ambi=2 { CD1:25.52 } atom: 694 65F-QE E 7.046 ambi=3 { CE1:132.978 } :: atom: 664 63L-HD2 D2 0.766 ambi=2 { CD2:23.98 } atom: 694 65F-QE E 7.046 ambi=3 { CE1:132.978 } ::sumAvg: 4.39 atom: 673 64Y-HA A 4.758 ambi=1 { CA:57.46 } atom: 676 64Y-QD D 7.038 ambi=3 { CD1:133.21 } ::sumAvg: 2.905 atom: 674 64Y-HB2 B 2.884 ambi=2 { CB:39.69 } atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } :: atom: 675 64Y-HB3 B 2.7 ambi=2 { CB:39.69 } atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } ::sumAvg: 4.475 atom: 689 65F-HA A 4.777 ambi=1 { CA:57.325 } atom: 676 64Y-QD D 7.038 ambi=3 { CD1:133.21 } ::sumAvg: 4.94 atom: 689 65F-HA A 4.777 ambi=1 { CA:57.325 } atom: 708 66M-HB2 B 2.084 ambi=2 { CB:32.71 } :: atom: 689 65F-HA A 4.777 ambi=1 { CA:57.325 } atom: 709 66M-HB3 B 1.943 ambi=2 { CB:32.71 } ::sumAvg: 4.97 atom: 690 65F-HB2 B 3.166 ambi=2 { CB:39.34 } atom: 706 66M-H N 8.611 ambi=1 { N:121.7 } :: atom: 691 65F-HB3 B 3.012 ambi=2 { CB:39.34 } atom: 706 66M-H N 8.611 ambi=1 { N:121.7 } ::sumAvg: 3.35 atom: 708 66M-HB2 B 2.084 ambi=2 { CB:32.71 } atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } :: atom: 709 66M-HB3 B 1.943 ambi=2 { CB:32.71 } atom: 692 65F-QD D 7.239 ambi=3 { CD1:131.587 } ::sumAvg: 4.67 atom: 718 67G-QA A 3.928 ambi=2 { CA:45.359 } atom: 706 66M-H N 8.611 ambi=1 { N:121.7 } ::sumAvg: 4.575 atom: 718 67G-QA A 3.928 ambi=2 { CA:45.359 } atom: 707 66M-HA A 4.537 ambi=1 { CA:55.37 } ::sumAvg: 4.08 atom: 707 66M-HA A 4.537 ambi=1 { CA:55.37 } atom: 723 68G-H N 8.353 ambi=1 { N:108.6 } ::sumAvg: 4.56 atom: 708 66M-HB2 B 2.084 ambi=2 { CB:32.71 } atom: 718 67G-QA A 3.928 ambi=2 { CA:45.359 } :: atom: 709 66M-HB3 B 1.943 ambi=2 { CB:32.71 } atom: 718 67G-QA A 3.928 ambi=2 { CA:45.359 } ::sumAvg: 4.15 atom: 718 67G-QA A 3.928 ambi=2 { CA:45.359 } atom: 708 66M-HB2 B 2.084 ambi=2 { CB:32.71 } :: atom: 718 67G-QA A 3.928 ambi=2 { CA:45.359 } atom: 709 66M-HB3 B 1.943 ambi=2 { CB:32.71 } ::sumAvg: 4.15 atom: 708 66M-HB2 B 2.084 ambi=2 { CB:32.71 } atom: 723 68G-H N 8.353 ambi=1 { N:108.6 } :: atom: 709 66M-HB3 B 1.943 ambi=2 { CB:32.71 } atom: 723 68G-H N 8.353 ambi=1 { N:108.6 } ::sumAvg: 4.645 atom: 710 66M-HG2 G 2.504 ambi=2 { CG:32.13 } atom: 717 67G-H N 8.213 ambi=1 { N:109.6 } :: atom: 711 66M-HG3 G 2.42 ambi=2 { CG:32.13 } atom: 717 67G-H N 8.213 ambi=1 { N:109.6 } ::sumAvg: 3.535 atom: 710 66M-HG2 G 2.504 ambi=2 { CG:32.13 } atom: 718 67G-QA A 3.928 ambi=2 { CA:45.359 } :: atom: 711 66M-HG3 G 2.42 ambi=2 { CG:32.13 } atom: 718 67G-QA A 3.928 ambi=2 { CA:45.359 } ::sumAvg: 4.595 atom: 718 67G-QA A 3.928 ambi=2 { CA:45.359 } atom: 710 66M-HG2 G 2.504 ambi=2 { CG:32.13 } :: atom: 718 67G-QA A 3.928 ambi=2 { CA:45.359 } atom: 711 66M-HG3 G 2.42 ambi=2 { CG:32.13 } ::sumAvg: 4.595 atom: 725 68G-QA A 4.8615 ambi=2 { CA:45.402 } atom: 717 67G-H N 8.213 ambi=1 { N:109.6 } ::sumAvg: 3.73 atom: 718 67G-QA A 3.928 ambi=2 { CA:45.359 } atom: 725 68G-QA A 4.8615 ambi=2 { CA:45.402 } ::sumAvg: 3.735 atom: 725 68G-QA A 4.8615 ambi=2 { CA:45.402 } atom: 718 67G-QA A 3.928 ambi=2 { CA:45.359 } ::sumAvg: 3.735 atom: 725 68G-QA A 4.8615 ambi=2 { CA:45.402 } atom: 729 69G-H N 8.406 ambi=1 { N:109.1 } ::sumAvg: 2.525 atom: 725 68G-QA A 4.8615 ambi=2 { CA:45.402 } atom: 730 69G-QA A 3.953 ambi=2 { CA:45.242 } ::sumAvg: 3.725 atom: 730 69G-QA A 3.953 ambi=2 { CA:45.242 } atom: 725 68G-QA A 4.8615 ambi=2 { CA:45.402 } ::sumAvg: 3.725 atom: 725 68G-QA A 4.8615 ambi=2 { CA:45.402 } atom: 735 70K-H N 8.153 ambi=1 { N:120.5 } ::sumAvg: 4.135 atom: 730 69G-QA A 3.953 ambi=2 { CA:45.242 } atom: 737 70K-HB2 B 1.794 ambi=2 { CB:33.13 } :: atom: 730 69G-QA A 3.953 ambi=2 { CA:45.242 } atom: 738 70K-HB3 B 1.703 ambi=2 { CB:33.13 } ::sumAvg: 4.43 atom: 737 70K-HB2 B 1.794 ambi=2 { CB:33.13 } atom: 730 69G-QA A 3.953 ambi=2 { CA:45.242 } :: atom: 738 70K-HB3 B 1.703 ambi=2 { CB:33.13 } atom: 730 69G-QA A 3.953 ambi=2 { CA:45.242 } ::sumAvg: 4.43 atom: 730 69G-QA A 3.953 ambi=2 { CA:45.242 } atom: 739 70K-QG G 1.383 ambi=2 { CG:24.78 } ::sumAvg: 4.54 atom: 739 70K-QG G 1.383 ambi=2 { CG:24.78 } atom: 730 69G-QA A 3.953 ambi=2 { CA:45.242 } ::sumAvg: 4.54 atom: 730 69G-QA A 3.953 ambi=2 { CA:45.242 } atom: 752 71L-H N 8.253 ambi=1 { N:122.905 } ::sumAvg: 4.95 atom: 739 70K-QG G 1.383 ambi=2 { CG:24.78 } atom: 735 70K-H N 8.153 ambi=1 { N:120.5 } ::sumAvg: 3.03 atom: 741 70K-QD D 1.652 ambi=2 { CD:29.15 } atom: 735 70K-H N 8.153 ambi=1 { N:120.5 } ::sumAvg: 4.35 atom: 736 70K-HA A 4.255 ambi=1 { CA:56.37 } atom: 741 70K-QD D 1.652 ambi=2 { CD:29.15 } ::sumAvg: 3.115 atom: 736 70K-HA A 4.255 ambi=1 { CA:56.37 } atom: 743 70K-QE E 2.99 ambi=2 { CE:42.238 } ::sumAvg: 4.6 atom: 743 70K-QE E 2.99 ambi=2 { CE:42.238 } atom: 736 70K-HA A 4.255 ambi=1 { CA:56.37 } ::sumAvg: 4.6 atom: 736 70K-HA A 4.255 ambi=1 { CA:56.37 } atom: 754 71L-HB2 B 1.534 ambi=2 { CB:42.236 } :: atom: 736 70K-HA A 4.255 ambi=1 { CA:56.37 } atom: 755 71L-HB3 B 1.45 ambi=2 { CB:42.236 } ::sumAvg: 4.51 atom: 736 70K-HA A 4.255 ambi=1 { CA:56.37 } atom: 757 71L-HD1 D1 0.813 ambi=2 { CD1:24.89 } :: atom: 736 70K-HA A 4.255 ambi=1 { CA:56.37 } atom: 758 71L-HD2 D2 0.761 ambi=2 { CD2:23.59 } ::sumAvg: 4.27 atom: 737 70K-HB2 B 1.794 ambi=2 { CB:33.13 } atom: 743 70K-QE E 2.99 ambi=2 { CE:42.238 } :: atom: 738 70K-HB3 B 1.703 ambi=2 { CB:33.13 } atom: 743 70K-QE E 2.99 ambi=2 { CE:42.238 } ::sumAvg: 3.045 atom: 743 70K-QE E 2.99 ambi=2 { CE:42.238 } atom: 737 70K-HB2 B 1.794 ambi=2 { CB:33.13 } :: atom: 743 70K-QE E 2.99 ambi=2 { CE:42.238 } atom: 738 70K-HB3 B 1.703 ambi=2 { CB:33.13 } ::sumAvg: 3.045 atom: 739 70K-QG G 1.383 ambi=2 { CG:24.78 } atom: 752 71L-H N 8.253 ambi=1 { N:122.905 } ::sumAvg: 3.54 atom: 739 70K-QG G 1.383 ambi=2 { CG:24.78 } atom: 757 71L-HD1 D1 0.813 ambi=2 { CD1:24.89 } :: atom: 739 70K-QG G 1.383 ambi=2 { CG:24.78 } atom: 758 71L-HD2 D2 0.761 ambi=2 { CD2:23.59 } ::sumAvg: 4.545 atom: 741 70K-QD D 1.652 ambi=2 { CD:29.15 } atom: 752 71L-H N 8.253 ambi=1 { N:122.905 } ::sumAvg: 4.5 atom: 757 71L-HD1 D1 0.813 ambi=2 { CD1:24.89 } atom: 752 71L-H N 8.253 ambi=1 { N:122.905 } :: atom: 758 71L-HD2 D2 0.761 ambi=2 { CD2:23.59 } atom: 752 71L-H N 8.253 ambi=1 { N:122.905 } ::sumAvg: 3.025 atom: 753 71L-HA A 4.285 ambi=1 { CA:55.12 } atom: 768 72E-HB2 B 1.92 ambi=2 { CB:30.619 } :: atom: 753 71L-HA A 4.285 ambi=1 { CA:55.12 } atom: 769 72E-HB3 B 1.84 ambi=2 { CB:30.619 } ::sumAvg: 4.985 atom: 753 71L-HA A 4.285 ambi=1 { CA:55.12 } atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } ::sumAvg: 4.915 atom: 767 72E-HA A 4.238 ambi=1 { CA:56.76 } atom: 754 71L-HB2 B 1.534 ambi=2 { CB:42.236 } :: atom: 767 72E-HA A 4.238 ambi=1 { CA:56.76 } atom: 755 71L-HB3 B 1.45 ambi=2 { CB:42.236 } ::sumAvg: 4.735 atom: 754 71L-HB2 B 1.534 ambi=2 { CB:42.236 } atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } :: atom: 755 71L-HB3 B 1.45 ambi=2 { CB:42.236 } atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } ::sumAvg: 4.96 atom: 757 71L-HD1 D1 0.813 ambi=2 { CD1:24.89 } atom: 756 71L-HG G 1.51 ambi=1 { CG:26.96 } :: atom: 758 71L-HD2 D2 0.761 ambi=2 { CD2:23.59 } atom: 756 71L-HG G 1.51 ambi=1 { CG:26.96 } ::sumAvg: 2.115 atom: 756 71L-HG G 1.51 ambi=1 { CG:26.96 } atom: 766 72E-H N 8.343 ambi=1 { N:121.5 } ::sumAvg: 4.405 atom: 757 71L-HD1 D1 0.813 ambi=2 { CD1:24.89 } atom: 766 72E-H N 8.343 ambi=1 { N:121.5 } :: atom: 758 71L-HD2 D2 0.761 ambi=2 { CD2:23.59 } atom: 766 72E-H N 8.343 ambi=1 { N:121.5 } ::sumAvg: 3.445 atom: 767 72E-HA A 4.238 ambi=1 { CA:56.76 } atom: 757 71L-HD1 D1 0.813 ambi=2 { CD1:24.89 } :: atom: 767 72E-HA A 4.238 ambi=1 { CA:56.76 } atom: 758 71L-HD2 D2 0.761 ambi=2 { CD2:23.59 } ::sumAvg: 4.7 atom: 757 71L-HD1 D1 0.813 ambi=2 { CD1:24.89 } atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } :: atom: 758 71L-HD2 D2 0.761 ambi=2 { CD2:23.59 } atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } ::sumAvg: 4.965 atom: 770 72E-HG2 G 2.18 ambi=2 { CG:36.12 } atom: 766 72E-H N 8.343 ambi=1 { N:121.5 } :: atom: 771 72E-HG3 G 2.14 ambi=2 { CG:36.12 } atom: 766 72E-H N 8.343 ambi=1 { N:121.5 } ::sumAvg: 3.16 atom: 767 72E-HA A 4.238 ambi=1 { CA:56.76 } atom: 779 73H-HB2 B 3.003 ambi=2 { CB:30.08 } :: atom: 767 72E-HA A 4.238 ambi=1 { CA:56.76 } atom: 780 73H-HB3 B 3.076 ambi=2 { CB:30.08 } ::sumAvg: 4.995 atom: 779 73H-HB2 B 3.003 ambi=2 { CB:30.08 } atom: 767 72E-HA A 4.238 ambi=1 { CA:56.76 } :: atom: 780 73H-HB3 B 3.076 ambi=2 { CB:30.08 } atom: 767 72E-HA A 4.238 ambi=1 { CA:56.76 } ::sumAvg: 4.995 atom: 768 72E-HB2 B 1.92 ambi=2 { CB:30.619 } atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } :: atom: 769 72E-HB3 B 1.84 ambi=2 { CB:30.619 } atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } ::sumAvg: 3.13 atom: 768 72E-HB2 B 1.92 ambi=2 { CB:30.619 } atom: 785 74H-H N 8.213 ambi=1 { N:125.387 } :: atom: 769 72E-HB3 B 1.84 ambi=2 { CB:30.619 } atom: 785 74H-H N 8.213 ambi=1 { N:125.387 } ::sumAvg: 4.885 atom: 770 72E-HG2 G 2.18 ambi=2 { CG:36.12 } atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } :: atom: 771 72E-HG3 G 2.14 ambi=2 { CG:36.12 } atom: 777 73H-H N 8.404 ambi=1 { N:119.733 } ::sumAvg: 3.73 atom: 778 73H-HA A 4.593 ambi=1 { CA:55.777 } atom: 785 74H-H N 8.213 ambi=1 { N:125.387 } ::sumAvg: 2.86 atom: 779 73H-HB2 B 3.003 ambi=2 { CB:30.08 } atom: 785 74H-H N 8.213 ambi=1 { N:125.387 } :: atom: 780 73H-HB3 B 3.076 ambi=2 { CB:30.08 } atom: 785 74H-H N 8.213 ambi=1 { N:125.387 } ::sumAvg: 3.165