Assignment w1 w2 K1H-N 122.149 8.284 I2H-N 122.752 7.914 E3H-N 126.156 8.582 E4H-N 123.446 8.536 G5H-N 110.665 8.857 K6H-N 118.841 7.658 L7H-N 116.554 8.247 V8H-N 125.483 10.141 I9H-N 128.156 9.162 W10H-N 126.723 9.064 W10HE1-NE1 129.095 10.651 I11H-N 122.045 8.761 N12H-N 122.679 8.924 G13H-N 106.27 8.266 D14H-N 116.657 7.955 K15H-N 118.56 7.605 G16H-N 107.836 8.792 Y17H-N 120.527 8.254 N18H-N 123.423 8.139 N18HD21-ND2 115.263 7.832 N18HD22-ND2 115.263 6.712 G19H-N 111.405 8.964 L20H-N 121.802 8.366 A21H-N 121.067 8.141 E22H-N 120.409 7.841 V23H-N 123.089 7.873 G24H-N 106.603 8.748 K25H-N 122.7 8.349 K26H-N 122.772 7.711 F27H-N 120.075 8.152 E28H-N 124.1 8.922 K29H-N 121.988 8.171 D30H-N 116.464 7.641 T31H-N 107.078 7.956 G32H-N 112.604 8.637 I33H-N 124.244 7.787 K34H-N 124.837 7.916 V35H-N 124.409 8.392 T36H-N 125.117 9.199 V37H-N 127.333 8.922 E38H-N 127.098 9.672 H39H-N 115.041 8.384 D41H-N 121.249 8.262 K42H-N 119.186 8.807 L43H-N 119.987 7.463 E44H-N 123.756 10.509 E45H-N 120.446 7.383 K46H-N 120.307 8.283 F47H-N 116.985 8.695 Q49H-N 114.877 6.895 Q49HE21-NE2 111.127 7.345 Q49HE22-NE2 111.127 6.783 V50H-N 110.874 7.712 A51H-N 125.556 8.326 A52H-N 117.927 7.49 T53H-N 106.235 7.293 G54H-N 108.765 7.854 D55H-N 119.342 7.5 G56H-N 105.696 8.352 D58H-N 117.81 8.779 I59H-N 114.149 7.69 I60H-N 124.372 8.949 F61H-N 126.16 8.69 W62H-N 121.274 9.212 W62HE1-NE1 129.076 10.37 A63H-N 126.176 6.405 H64H-N 116.177 8.142 D65H-N 119.134 7.741 R66H-N 116.783 7.039 F67H-N 116.588 7.698 G68H-N 107.195 7.368 G69H-N 107.416 7.79 Y70H-N 119.016 6.951 A71H-N 122.656 8.639 Q72H-N 122.561 8.697 Q72HE21-NE2 113.079 7.694 Q72HE22-NE2 113.079 7.045 S73H-N 112.035 7.369 G74H-N 109.189 8.096 L75H-N 113.801 7.861 L76H-N 115.778 7.424 A77H-N 125.879 9.048 E78H-N 120.903 8.249 I79H-N 122.343 8.211 T80H-N 112.312 8.799 D82H-N 112.781 7.54 K83H-N 120.766 8.098 A84H-N 119.378 8.235 F85H-N 118.448 7.98 Q86H-N 117.129 8.537 Q86HE21-NE2 110.302 6.591 Q86HE22-NE2 110.302 6.401 D87H-N 116.901 8.107 K88H-N 117.112 7.847 L89H-N 120.0 7.703 Y90H-N 117.027 7.766 F92H-N 112.682 8.069 T93H-N 110.914 7.146 W94H-N 119.778 6.71 W94HE1-NE1 128.542 10.526 D95H-N 115.541 7.295 A96H-N 118.538 7.043 V97H-N 105.952 7.018 R98H-N 121.107 7.082 Y99H-N 126.662 9.725 N100H-N 124.739 7.98 N100HD21-ND2 111.104 7.366 N100HD22-ND2 111.104 6.773 G101H-N 102.085 8.645 K102H-N 121.14 7.809 L103H-N 123.389 9.003 I104H-N 112.53 8.842 A105H-N 117.098 7.713 Y106H-N 113.778 9.013 I108H-N 115.349 8.569 A109H-N 118.217 7.912 V110H-N 120.816 8.794 E111H-N 123.373 9.589 A112H-N 117.468 6.45 L113H-N 123.008 8.49 S114H-N 107.994 7.513 L115H-N 122.044 7.315 I116H-N 129.545 8.684 Y117H-N 121.762 9.109 N118H-N 121.13 9.338 K119H-N 125.468 8.839 D120H-N 115.554 8.201 L121H-N 117.701 7.153 L122H-N 119.732 8.358 N124H-N 123.723 9.134 K127H-N 118.38 8.167 T128H-N 108.566 7.898 W129H-N 123.87 10.201 W129HE1-NE1 126.055 9.249 E130H-N 118.001 10.621 E131H-N 116.543 7.64 I132H-N 121.442 8.238 A134H-N 118.047 7.854 L135H-N 119.945 7.651 D136H-N 118.457 8.868 K137H-N 117.222 8.068 E138H-N 118.518 7.515 L139H-N 121.194 8.443 K140H-N 124.073 9.296 A141H-N 121.993 7.305 K142H-N 115.7 7.68 G143H-N 107.577 7.914 K144H-N 119.749 7.891 S145H-N 109.382 7.609 A146H-N 122.815 9.61 L147H-N 116.728 8.713 M148H-N 121.582 8.211 F149H-N 120.053 8.614 N150H-N 115.896 8.709 L151H-N 122.998 7.354 Q152H-N 112.914 7.976 Q152HE21-NE2 113.935 6.994 Q152HE22-NE2 113.935 6.907 E153H-N 113.705 6.505 Y155H-N 117.674 7.999 F156H-N 111.953 8.086 T157H-N 105.724 7.629 W158H-N 124.175 8.4 L160H-N 111.322 6.445 I161H-N 119.299 7.009 A162H-N 115.05 8.028 A163H-N 120.619 6.684 D164H-N 114.837 9.615 G165H-N 103.469 7.521 G166H-N 107.843 7.437 Y167H-N 115.233 8.279 A168H-N 124.284 10.587 F169H-N 107.884 6.342 K170H-N 125.554 8.912 Y171H-N 129.785 8.642 E172H-N 126.723 8.276 G174H-N 101.844 7.501 K175H-N 118.34 7.119 Y176H-N 119.767 8.758 D177H-N 123.754 9.036 I178H-N 116.924 7.754 K179H-N 115.948 8.327 D180H-N 123.078 7.801 V181H-N 122.798 7.513 G182H-N 120.52 7.101 V183H-N 113.914 6.739 D184H-N 114.64 7.874 N185H-N 116.139 6.92 N185HD21-ND2 109.924 7.392 N185HD22-ND2 109.924 6.475 G187H-N 109.16 8.406 A188H-N 127.606 8.097 K189H-N 115.096 8.024 A190H-N 124.586 8.256 G191H-N 107.353 8.26 L192H-N 121.126 8.703 T193H-N 116.338 8.574 F194H-N 121.984 7.697 L195H-N 119.496 7.765 V196H-N 117.487 8.636 D197H-N 122.894 8.623 L198H-N 120.142 7.929 I199H-N 119.897 7.477 K200H-N 124.445 9.436 N201H-N 113.824 8.035 N201HD21-ND2 115.297 7.868 N201HD22-ND2 115.297 7.031 K202H-N 111.252 7.972 H203H-N 116.037 8.4 M204H-N 113.977 7.52 N205H-N 118.478 8.741 D207H-N 112.704 8.199 T208H-N 116.414 7.372 D209H-N 130.744 7.016 Y210H-N 117.263 7.899 S211H-N 114.636 8.243 I212H-N 124.41 9.032 A213H-N 120.602 7.662 E214H-N 117.279 7.911 A215H-N 119.617 8.025 A216H-N 117.522 7.853 F217H-N 119.285 8.378 K219H-N 116.621 7.745 G220H-N 108.538 7.758 E221H-N 116.265 8.399 T222H-N 110.397 6.9 A223H-N 127.335 8.71 M224H-N 114.125 8.111 T225H-N 113.217 9.189 I226H-N 122.476 7.205 N227H-N 121.809 8.471 G228H-N 110.557 8.296 W230H-N 111.846 6.023 A231H-N 125.177 7.021 I235H-N 120.166 7.873 D236H-N 126.074 8.368 S238H-N 118.208 7.708 V240H-N 120.257 7.385 Y242H-N 121.641 7.907 G243H-N 107.321 8.542 V244H-N 120.543 8.219 T245H-N 119.475 9.517 V246H-N 123.454 8.171 L247H-N 125.568 8.621 T249H-N 111.503 8.824 F250H-N 121.817 9.599 K251H-N 129.537 10.608 G252H-N 103.324 9.055 Q253H-N 122.254 8.286 Q253HE21-NE2 112.325 7.298 Q253HE22-NE2 112.325 7.298 S255H-N 117.917 8.031 K256H-N 123.215 7.7 F258H-N 118.339 9.392 V259H-N 121.74 8.776 G260H-N 115.811 8.886 V261H-N 128.942 11.049 L262H-N 134.277 8.832 S263H-N 126.567 8.802 A264H-N 123.61 9.161 G265H-N 110.658 9.453 I266H-N 123.493 10.349 N267H-N 125.821 8.268 A268H-N 131.045 8.878 A269H-N 117.838 8.182 S270H-N 112.759 7.621 N272H-N 119.642 8.884 K273H-N 119.131 7.819 E274H-N 118.257 8.88 L275H-N 120.547 7.438 A276H-N 120.235 8.403 K277H-N 118.217 7.912 E278H-N 118.642 7.633 F279H-N 118.304 8.429 L280H-N 119.959 8.47 E281H-N 112.784 8.457 N282H-N 108.77 7.745 N282HD21-ND2 113.375 7.795 N282HD22-ND2 113.375 6.951 Y283H-N 116.204 7.206 L284H-N 121.308 8.142 L285H-N 119.195 7.867 T286H-N 108.553 8.575 D287H-N 122.095 8.568 E288H-N 115.546 8.458 G289H-N 112.692 8.358 L290H-N 119.461 8.237 E291H-N 120.894 7.784 A292H-N 119.803 7.221 V293H-N 115.778 7.295 N294H-N 117.311 8.742 K295H-N 115.886 8.306 D296H-N 118.729 7.322 K297H-N 115.749 7.672 L299H-N 122.502 8.651 G300H-N 103.94 8.174 A301H-N 123.807 7.562 V302H-N 110.224 8.199 A303H-N 117.082 7.681 L304H-N 114.86 6.419 K305H-N 129.429 8.093 S306H-N 112.267 8.772 Y307H-N 122.11 6.675 E308H-N 121.29 8.538 E309H-N 115.446 7.766 E310H-N 117.463 6.919 L311H-N 120.903 8.257 A312H-N 117.908 8.602 K313H-N 117.302 7.143 D314H-N 121.133 8.337 R316H-N 116.85 8.482 I317H-N 122.935 7.571 A318H-N 122.597 7.902 A319H-N 118.616 8.174 T320H-N 114.667 7.383 M321H-N 119.298 8.205 E322H-N 121.354 8.273 N323H-N 115.178 8.328 A324H-N 119.622 8.135 Q325H-N 116.236 8.294 Q325HE21-NE2 109.482 6.751 Q325HE22-NE2 109.482 6.604 K326H-N 117.725 7.091 G327H-N 106.26 7.297 E328H-N 121.738 8.577 I329H-N 128.136 9.222 M330H-N 125.147 8.537 N332H-N 118.064 7.636 I333H-N 108.425 6.432 Q335H-N 116.43 8.394 Q335HE21-NE2 111.328 7.793 Q335HE22-NE2 111.328 6.894 M336H-N 118.315 7.878 S337H-N 113.614 7.998 A338H-N 122.865 7.39 F339H-N 118.818 7.555 W340H-N 117.997 8.808 W340HE1-NE1 130.504 10.673 Y341H-N 114.579 7.46 A342H-N 121.809 8.475 V343H-N 118.352 8.709 R344H-N 120.762 8.147 T345H-N 113.564 7.572 A346H-N 122.753 7.821 V347H-N 115.878 8.192 I348H-N 118.355 7.808 N349H-N 121.058 8.856 N349HD21-ND2 109.714 7.436 N349HD22-ND2 109.714 6.784 A350H-N 122.684 8.554 A351H-N 120.917 9.182 S352H-N 107.833 7.923 G353H-N 109.659 7.657 R354H-N 120.903 8.262 Q355H-N 113.533 7.371 Q355HE21-NE2 112.09 7.521 Q355HE22-NE2 112.09 6.891 T356H-N 111.666 8.586 V357H-N 121.35 8.763 D358H-N 115.098 8.156 E359H-N 118.595 7.627 A360H-N 121.421 8.724 L361H-N 116.136 8.111 K362H-N 121.437 7.739 D363H-N 120.039 8.184 A364H-N 121.26 7.771 Q365H-N 118.108 8.288 Q365HE21-NE2 110.523 7.368 Q365HE22-NE2 110.523 7.001 T366H-N 115.167 8.198 R367H-N 119.967 7.998 I368H-N 117.263 8.044 T369H-N 106.881 7.668 K370H-N 128.109 7.43