Assignment w1 w2 A2H-N 123.425 8.615 N3H-N 118.578 8.592 K4H-N 121.739 8.231 T5H-N 121.047 8.467 V6H-N 129.796 8.765 V7H-N 130.374 9.88 V8H-N 130.504 8.698 T9H-N 124.087 9.003 T10H-N 123.913 7.88 I11H-N 119.367 7.868 L12H-N 124.108 7.889 E13H-N 127.989 7.845 S14H-N 131.337 9.622 Y16H-N 124.044 8.322 V17H-N 117.55 8.004 M18H-N 125.419 9.4 M19H-N 119.446 8.819 K20H-N 125.891 8.588 K21H-N 123.329 8.935 N22H-N 116.294 8.797 H23H-N 114.68 7.695 E24H-N 120.327 8.789 M25H-N 115.904 7.904 L26H-N 121.404 7.499 E27H-N 117.564 8.394 G28H-N 108.955 8.898 N29H-N 124.798 9.585 E30H-N 115.74 7.875 R31H-N 113.992 6.923 Y32H-N 113.522 6.926 E33H-N 115.494 9.243 G34H-N 108.556 8.314 Y35H-N 118.561 7.428 C36H-N 113.804 10.291 V37H-N 123.497 6.706 D38H-N 122.456 8.134 L39H-N 120.073 8.453 A40H-N 120.01 8.031 A41H-N 118.033 7.244 E42H-N 117.548 7.763 I43H-N 121.031 8.672 A44H-N 122.77 8.303 K45H-N 117.419 7.63 H46H-N 116.431 7.645 C47H-N 113.838 8.092 G48H-N 109.138 8.0 F49H-N 113.638 7.113 K50H-N 121.171 8.887 Y51H-N 116.788 8.467 K52H-N 122.124 8.92 L53H-N 125.007 8.845 T54H-N 119.154 8.715 I55H-N 122.626 8.174 V56H-N 130.412 8.839 G57H-N 118.481 9.008 D58H-N 116.595 7.919 G59H-N 105.487 7.442 K60H-N 119.557 7.877 Y61H-N 119.051 8.453 G62H-N 102.31 7.95 A63H-N 133.07 9.108 R64H-N 122.189 7.726 D65H-N 129.78 7.857 A66H-N 129.022 8.741 D67H-N 115.552 8.446 T68H-N 109.711 8.621 K69H-N 114.147 7.85 I70H-N 119.341 7.378 W71H-N 129.258 8.675 W71HE1-NE1 129.727 10.058 N72H-N 120.394 8.225 G73H-N 106.581 10.075 M74H-N 123.632 7.708 V75H-N 114.286 7.497 G76H-N 106.291 7.843 E77H-N 118.604 7.658 L78H-N 116.245 7.309 V79H-N 119.4 8.202 Y80H-N 114.695 8.203 G81H-N 106.453 7.222 K82H-N 118.327 8.631 A83H-N 119.129 7.459 D84H-N 117.585 8.724 I85H-N 114.302 7.627 A86H-N 128.239 9.257 I87H-N 122.913 7.337 A88H-N 130.666 9.229 L90H-N 125.85 7.833 T91H-N 124.414 9.237 I92H-N 127.566 8.167 T93H-N 116.905 6.346 L94H-N 124.137 8.54 V95H-N 116.321 8.035 R96H-N 118.338 7.47 E97H-N 118.876 8.281 E98H-N 115.838 7.23 V99H-N 106.631 7.627 I100H-N 117.701 8.085 D101H-N 115.141 8.314 F102H-N 115.915 9.011 S103H-N 116.246 8.822 K104H-N 119.126 8.509 F106H-N 115.004 8.332 M107H-N 119.651 6.864 S108H-N 119.397 8.161 L109H-N 119.023 8.137 G110H-N 104.677 7.95 I111H-N 124.022 9.316 S112H-N 121.737 8.933 I113H-N 118.008 8.373 M114H-N 130.22 9.52 I115H-N 116.751 8.455 K116H-N 122.417 8.756 K117H-N 130.127 8.697 G118H-N 112.751 8.79 A124H-N 123.228 9.325 E125H-N 117.721 8.625 D126H-N 119.437 7.98 S128H-N 111.489 8.044 K129H-N 120.01 7.077 Q130H-N 116.086 7.738 T131H-N 106.379 8.606 E132H-N 124.764 7.415 I133H-N 121.947 9.787 A134H-N 130.024 7.945 Y135H-N 111.538 6.412 G136H-N 100.599 6.73 T137H-N 104.57 6.393 L138H-N 124.724 9.669 D139H-N 127.846 9.554 S140H-N 111.15 7.854 G141H-N 103.987 6.92 S142H-N 116.207 9.437 T143H-N 128.879 9.087 K144H-N 124.477 9.679 E145H-N 113.813 7.045 F146H-N 120.059 8.006 F147H-N 116.293 7.367 R148H-N 118.932 7.476 R149H-N 111.481 7.087 S150H-N 114.448 6.921 K151H-N 124.92 8.832 I152H-N 124.636 8.113 A153H-N 131.819 8.703 V154H-N 116.437 8.098 F155H-N 119.779 6.292 D156H-N 122.089 8.833 K157H-N 122.418 8.467 M158H-N 118.886 8.126 W159H-N 121.957 9.321 W159HE1-NE1 127.9 10.233 T160H-N 113.779 8.688 Y161H-N 121.142 7.661 M162H-N 119.835 8.609 R163H-N 113.963 8.356 S164H-N 111.361 6.711 A165H-N 126.412 6.818 E166H-N 121.904 8.134 S168H-N 111.859 8.499 F170H-N 121.519 7.868 V171H-N 112.128 8.032 R172H-N 118.862 8.824 T173H-N 106.186 7.221 T174H-N 121.76 9.282 A175H-N 121.121 8.679 E176H-N 120.011 7.988 G177H-N 110.036 7.811 V178H-N 121.014 8.282 A179H-N 120.893 8.139 R180H-N 119.417 7.846 V181H-N 122.461 8.21 R182H-N 117.569 8.19 S184H-N 112.196 7.52 K185H-N 119.12 8.606 G186H-N 104.293 8.205 K187H-N 115.361 7.392 Y188H-N 121.744 7.679 A189H-N 133.453 8.767 Y190H-N 119.6 8.337 L191H-N 129.144 8.114 L192H-N 121.197 8.458 E193H-N 124.232 9.985 S194H-N 120.069 9.827 T195H-N 111.305 7.365 M196H-N 121.788 7.291 N197H-N 118.182 8.233 E198H-N 115.653 9.024 Y199H-N 117.275 7.287 I200H-N 118.792 7.775 E201H-N 118.925 8.313 Q202H-N 111.784 6.934 R203H-N 119.739 7.493 K204H-N 122.805 9.143 D207H-N 116.61 8.689 T208H-N 110.826 7.827 M209H-N 115.864 8.971 K210H-N 124.128 8.213 V211H-N 121.931 7.951 G212H-N 112.837 8.626 G213H-N 106.775 8.13 N214H-N 119.929 8.588 L215H-N 121.157 9.349 D216H-N 116.231 7.432 S217H-N 110.747 7.749 K218H-N 125.524 9.011 G219H-N 105.906 7.781 Y220H-N 116.734 7.131 G221H-N 104.03 8.117 I222H-N 120.261 8.813 A223H-N 130.624 7.964 T224H-N 110.994 8.725 K226H-N 124.012 9.415 G227H-N 111.32 9.31 S228H-N 111.963 7.243 S229H-N 126.613 9.395 L230H-N 120.439 8.666 R231H-N 119.262 6.848 T232H-N 116.128 9.141 V234H-N 116.036 8.19 N235H-N 119.998 7.796 L236H-N 116.685 8.221 A237H-N 121.474 8.069 V238H-N 118.626 8.272 L239H-N 119.568 8.037 K240H-N 120.681 8.057 L241H-N 118.42 8.592 S242H-N 113.914 8.45 E243H-N 122.869 8.381 Q244H-N 114.502 8.264 G245H-N 106.917 7.822 V246H-N 121.008 8.031 L247H-N 115.75 7.186 D248H-N 120.46 7.745 K249H-N 120.643 7.761 L250H-N 119.695 8.657 K251H-N 121.883 8.322 N252H-N 117.697 8.251 K253H-N 118.917 8.087 W254H-N 115.326 7.744 W254HE1-NE1 129.969 10.86 W255H-N 120.216 8.929 W255HE1-NE1 127.286 10.372 Y256H-N 118.732 7.254 D257H-N 123.197 8.55 K258H-N 120.118 8.07 G259H-N 108.65 8.269 E260H-N 119.399 8.504 C261H-N 116.819 8.415 G262H-N 110.838 8.285 A263H-N 129.335 7.944