Assignment w1 w2 D6H-N 122.469 8.353 K7H-N 120.664 8.187 L8H-N 122.901 8.9 Y9H-N 110.548 6.828 R10H-N 120.362 8.436 V11H-N 122.266 8.878 E12H-N 119.192 8.457 Y13H-N 119.095 7.951 A14H-N 126.675 9.373 K15H-N 125.393 8.209 S16H-N 109.836 7.496 R18H-N 115.655 7.478 A19H-N 123.48 8.462 S20H-N 115.228 8.271 C21H-N 125.343 8.216 K22H-N 129.183 8.496 K23H-N 120.633 8.82 C24H-N 116.545 8.107 S25H-N 115.491 8.066 E26H-N 120.893 8.342 S27H-N 116.502 8.861 I28H-N 127.129 8.351 K30H-N 123.924 8.672 D31H-N 120.053 9.398 S32H-N 115.709 7.872 L33H-N 123.145 8.842 R34H-N 124.246 9.343 M35H-N 119.133 8.643 A36H-N 124.078 9.383 I37H-N 116.711 7.973 M38H-N 124.798 8.197 V39H-N 122.77 8.691 Q40H-N 123.721 8.509 S41H-N 121.442 8.789 M43H-N 114.999 8.072 F44H-N 116.406 7.561 D45H-N 119.423 8.399 G46H-N 109.725 7.853 K47H-N 118.491 8.293 V48H-N 118.081 9.003 H50H-N 124.731 8.789 W51H-N 120.722 8.135 Y52H-N 115.799 9.54 H53H-N 118.685 8.848 F54H-N 123.071 8.57 S55H-N 109.469 9.222 C56H-N 119.639 7.037 F57H-N 117.851 8.069 W58H-N 115.014 6.592 K59H-N 117.471 7.584 V60H-N 114.601 7.1 G61H-N 106.468 7.465 H62H-N 119.69 7.447 S63H-N 116.721 8.482 I64H-N 125.951 8.83 R65H-N 126.786 8.996 H66H-N 116.202 8.79 D68H-N 111.015 8.542 V69H-N 114.743 7.183 E70H-N 115.855 7.92 V71H-N 116.834 7.876 D72H-N 131.541 9.093 G73H-N 113.427 8.712 F74H-N 122.65 7.673 S75H-N 109.259 8.721 E76H-N 118.192 7.433 L77H-N 118.567 7.101 R78H-N 120.328 8.749 W79H-N 124.706 9.159 D80H-N 115.327 9.034 D81H-N 119.682 7.224 Q82H-N 121.326 8.161 Q83H-N 115.082 7.661 K84H-N 120.119 7.595 V85H-N 121.008 8.454 K86H-N 118.249 8.276 K87H-N 117.55 8.652 T88H-N 116.007 7.85 A89H-N 123.136 7.844 E90H-N 116.648 7.711 A91H-N 121.056 7.528 G92H-N 106.551 7.951 G93H-N 107.318 7.959 V94H-N 118.433 7.895 T95H-N 117.064 8.201 G96H-N 110.967 8.364 K97H-N 120.869 8.264 G98H-N 109.994 8.514 Q99H-N 119.823 8.328 D100H-N 120.894 8.414 G101H-N 108.864 8.321 I102H-N 119.948 8.024 G103H-N 112.378 8.545 A106H-N 124.591 8.215 E107H-N 119.923 8.303 K108H-N 123.501 8.567 T109H-N 116.233 8.102 L110H-N 127.012 8.908 G111H-N 107.063 8.441 D112H-N 116.051 8.611 F113H-N 116.188 7.363 A114H-N 123.422 8.406 A115H-N 118.416 8.666 E116H-N 115.026 8.665 Y117H-N 116.821 8.138 A118H-N 125.192 9.107 S120H-N 113.038 7.774 R122H-N 115.112 7.758 S123H-N 118.896 9.063 T124H-N 116.148 8.207 C125H-N 125.904 8.345 K126H-N 128.995 8.679 G127H-N 111.297 9.175 C128H-N 119.236 8.06 M129H-N 117.245 8.126 E130H-N 119.309 8.439 K131H-N 119.535 8.687 I132H-N 124.502 8.114 E133H-N 127.96 8.706 K134H-N 122.476 8.353 G135H-N 114.5 9.028 Q136H-N 118.239 7.813 V137H-N 121.866 8.707 R138H-N 121.249 9.132 L139H-N 121.914 9.095 S140H-N 115.431 9.19 K141H-N 118.731 7.908 K142H-N 127.041 8.188 M143H-N 120.534 8.832 V144H-N 122.13 8.412 D145H-N 129.502 9.418 E147H-N 115.682 8.388 K148H-N 118.256 7.807 Q150H-N 119.015 9.268 L151H-N 119.01 7.622 G152H-N 105.311 7.712 M153H-N 119.339 8.327 I154H-N 122.6 8.602 D155H-N 120.143 8.01 R156H-N 123.976 8.087 W157H-N 122.044 8.011 Y158H-N 115.438 9.839 H159H-N 120.323 9.404 G161H-N 102.681 9.277 C162H-N 122.27 7.192 F163H-N 124.139 8.671 V164H-N 115.95 8.237 K165H-N 118.531 7.536 N166H-N 115.667 7.203 R167H-N 119.312 7.146 E168H-N 118.523 8.452 E169H-N 123.137 8.446 L170H-N 116.011 7.817 G171H-N 106.954 7.798 F172H-N 123.724 8.152 R173H-N 126.764 5.989 E175H-N 112.634 9.0 Y176H-N 122.477 7.551 S177H-N 112.082 8.131 A178H-N 122.022 8.47 S179H-N 106.487 7.501 Q180H-N 118.402 7.638 L181H-N 119.579 7.701 K182H-N 128.266 9.084 G183H-N 114.218 8.977 F184H-N 123.069 8.208 S185H-N 107.795 8.535 L186H-N 119.771 7.393 L187H-N 119.16 7.284 A188H-N 122.303 8.851 T189H-N 118.999 8.9 E190H-N 118.4 9.653 D191H-N 118.544 7.123 K192H-N 120.868 8.255 E193H-N 115.853 8.281 A194H-N 121.209 7.625 L195H-N 118.254 8.153 K196H-N 118.862 8.455 K197H-N 115.473 7.353 Q198H-N 115.853 7.362 L199H-N 118.025 8.075 G201H-N 108.575 8.421 V202H-N 120.22 8.088 K203H-N 125.06 8.398 S204H-N 117.805 8.403 E205H-N 123.084 8.556 G206H-N 109.644 8.411 K207H-N 120.949 8.159 R208H-N 122.8 8.437 G210H-N 110.364 8.564 D211H-N 120.179 8.232 E212H-N 120.539 8.427 V213H-N 119.809 8.059 D214H-N 123.578 8.348 G215H-N 108.956 8.384 V216H-N 118.786 8.072 D217H-N 122.912 8.405 E218H-N 121.301 8.28 V219H-N 120.407 8.061 A220H-N 125.057 8.169 K221H-N 119.331 8.049 K222H-N 121.909 8.227 K226H-N 121.745 8.282 E227H-N 121.601 8.357 K228H-N 121.864 8.329 D229H-N 121.101 8.424 K230H-N 121.306 8.183 D231H-N 121.062 8.399 S232H-N 117.529 8.425 K233H-N 122.574 8.369 L234H-N 121.825 8.128 E235H-N 118.995 8.175 K236H-N 119.063 8.105 A237H-N 123.673 8.059 L238H-N 121.876 8.713 K239H-N 120.124 7.95 A240H-N 119.909 7.966 Q241H-N 119.854 8.044 N242H-N 118.645 8.585 D243H-N 121.772 8.756 L244H-N 122.671 7.846 I245H-N 118.331 8.076 W246H-N 119.321 8.41 N247H-N 117.92 8.438 I248H-N 120.684 8.397 K249H-N 118.763 8.23 D250H-N 117.636 7.96 E251H-N 118.069 7.86 L252H-N 118.968 8.786 K253H-N 115.119 7.812 K254H-N 116.105 7.393 V255H-N 110.027 7.597 C256H-N 118.797 8.278 S257H-N 118.962 9.326 T258H-N 117.564 8.974 N259H-N 118.931 8.446 D260H-N 120.868 7.982 L261H-N 117.486 7.787 K262H-N 117.776 8.236 E263H-N 116.91 8.065 L264H-N 119.929 8.056 L265H-N 119.722 7.848 I266H-N 121.295 8.502 F267H-N 123.138 8.868 N268H-N 113.077 7.121 K269H-N 118.087 8.334 Q270H-N 116.325 8.362 Q271H-N 120.569 8.195 V272H-N 123.79 8.601 S274H-N 111.215 8.256 G275H-N 111.638 8.22 E276H-N 124.284 8.815 A278H-N 124.467 7.607 I279H-N 118.98 7.99 L280H-N 118.459 7.825 D281H-N 117.478 8.115 R282H-N 117.953 8.273 V283H-N 121.611 8.47 A284H-N 120.584 8.205 D285H-N 113.875 7.57 G286H-N 105.346 7.531 M287H-N 117.644 7.725 V288H-N 115.297 7.344 F289H-N 114.331 7.846 G290H-N 108.543 7.924 A291H-N 124.358 8.404 L292H-N 125.316 8.415 L293H-N 122.99 7.736 C295H-N 124.973 9.034 E296H-N 129.116 8.88 E297H-N 120.843 9.557 C298H-N 119.133 8.514 S299H-N 117.147 7.967 G300H-N 116.698 10.009 Q301H-N 117.037 8.192 L302H-N 133.365 10.005 V303H-N 118.119 9.24 F304H-N 127.732 9.111 K305H-N 129.403 8.018 S306H-N 111.349 6.54 D307H-N 119.685 9.344 A308H-N 117.722 7.51 Y309H-N 116.211 8.461 Y310H-N 121.612 9.221 C311H-N 124.365 8.539 T312H-N 118.142 7.829 G313H-N 120.196 10.482 D314H-N 119.15 8.201 V315H-N 123.132 8.333 T316H-N 109.469 7.985 A317H-N 120.28 8.319 W318H-N 114.294 7.766 T319H-N 115.895 7.384 K320H-N 126.398 8.567 C321H-N 124.581 8.313 M322H-N 125.077 8.45 V323H-N 125.531 8.707 K324H-N 127.382 7.832 T325H-N 117.422 9.201 Q326H-N 126.016 9.029 T327H-N 111.495 8.857 N329H-N 118.342 8.39 R330H-N 122.25 8.614 K331H-N 119.036 9.167 E332H-N 119.907 8.556 W333H-N 126.05 9.114 W333HE1-NE1 127.892 9.521 V334H-N 128.18 8.614 T335H-N 119.45 8.417 K337H-N 122.4 8.519 E338H-N 116.625 8.866 F339H-N 120.199 7.693 R340H-N 122.56 7.588 E341H-N 118.4 8.094 I342H-N 121.758 7.873 Y344H-N 120.302 8.328 L345H-N 115.465 7.279 K346H-N 118.962 7.85 K347H-N 116.45 7.598 L348H-N 119.833 7.361 K349H-N 121.257 7.998 V350H-N 119.48 7.872 K351H-N 124.503 8.234 K352H-N 122.926 8.236 Q353H-N 122.316 8.595 D354H-N 119.052 8.267 R355H-N 124.077 8.306 I356H-N 127.336 8.819 F357H-N 125.007 8.672 E360H-N 120.684 8.605 T361H-N 114.777 8.249 S362H-N 123.381 8.014