Assignment w1 w2 Y12H-N 120.48 7.595 N13H-N 118.531 8.33 Q14H-N 119.397 8.086 G15H-N 116.487 8.78 D16H-N 120.679 7.505 W17H-N 117.515 8.185 V18H-N 119.338 9.414 A19H-N 134.411 9.29 S20H-N 117.571 8.581 F21H-N 122.974 8.748 N22H-N 118.498 8.536 F23H-N 120.88 9.142 S24H-N 121.197 8.39 K25H-N 126.227 9.232 V26H-N 126.503 8.803 Y27H-N 126.489 9.149 V28H-N 122.355 8.312 G29H-N 106.692 7.582 E30H-N 120.719 7.969 E31H-N 116.86 7.571 L32H-N 128.831 8.993 G33H-N 111.353 8.163 D34H-N 118.627 7.99 G38H-N 106.341 8.047 G39H-N 107.653 7.862 G40H-N 108.446 7.515 A41H-N 124.064 8.162 A45H-N 127.399 8.796 D46H-N 117.468 7.132 V47H-N 115.219 8.604 S48H-N 115.832 9.072 I49H-N 119.594 7.891 T54H-N 115.481 9.003 L55H-N 122.332 7.822 T56H-N 112.244 9.078 F57H-N 117.394 7.926 D58H-N 117.241 8.159 I59H-N 119.922 8.642 A60H-N 128.497 8.662 Y61H-N 119.589 8.066 F62H-N 127.821 7.828 V63H-N 121.961 7.697 S64H-N 115.326 8.161 S65H-N 111.566 8.426 N66H-N 110.875 7.437 I67H-N 118.623 7.158 A68H-N 126.828 8.326 V69H-N 119.26 8.197 D70H-N 124.526 9.005 F71H-N 125.961 9.318 F72H-N 129.078 8.098 V73H-N 121.367 8.012 V75H-N 115.403 8.197 A77H-N 125.141 7.74 R78H-N 119.759 9.251 A79H-N 131.262 9.858 K80H-N 123.611 8.65 F81H-N 123.875 8.399 Q82H-N 127.249 9.175 G83H-N 112.458 9.105 E84H-N 121.491 7.846 K85H-N 119.122 9.41 S86H-N 120.187 8.633 I87H-N 111.054 7.671 S88H-N 119.498 7.635 S89H-N 115.585 8.349 L90H-N 119.532 7.455 G91H-N 103.266 7.089 R92H-N 126.963 8.225 V93H-N 133.102 9.151 S94H-N 106.105 7.239 E95H-N 115.021 8.625 V96H-N 118.253 8.936 D97H-N 127.293 8.68 Y98H-N 119.516 9.493 G99H-N 106.54 8.495 A101H-N 125.877 8.267 I102H-N 118.91 8.502 L103H-N 135.24 8.92 S104H-N 118.423 9.549 L105H-N 120.268 8.481 Q106H-N 117.198 8.999 Q106HE21-NE2 117.241 6.726 Q106HE22-NE2 117.241 7.64 Y107H-N 121.505 8.854 H108H-N 128.001 8.629 H108HD1-ND1 162.828 9.707 Y109H-N 124.002 6.548 L115H-N 125.875 8.515 Y116H-N 122.356 9.088 Y118H-N 118.244 8.949 V119H-N 111.891 8.325 G120H-N 108.034 8.695 V121H-N 115.61 8.323 G122H-N 112.138 8.487 V123H-N 118.429 8.564 G124H-N 111.82 9.451 R125H-N 121.076 8.698 V126H-N 127.971 8.756 L127H-N 125.82 6.678 F128H-N 117.54 8.005 F129H-N 117.623 7.99 D130H-N 120.269 7.371 K131H-N 120.566 8.436 T132H-N 122.596 9.094 D133H-N 128.279 8.555 G134H-N 111.778 7.386 A135H-N 131.807 8.698 L136H-N 113.703 8.174 S137H-N 117.996 8.662 S138H-N 115.402 9.251 F139H-N 119.492 8.334 D140H-N 127.64 8.462 I141H-N 119.444 7.162 K142H-N 123.986 6.462 D143H-N 124.838 8.177 K144H-N 115.966 7.191 W145H-N 122.064 8.581 A146H-N 123.577 9.047 A148H-N 117.238 7.164 F149H-N 119.118 8.51 Q150H-N 124.663 8.575 Q150HE21-NE2 116.11 7.52 Q150HE22-NE2 116.11 6.481 V151H-N 121.596 8.345 G152H-N 111.601 8.511 L153H-N 117.992 8.99 R154H-N 120.357 7.366 R154HE-NE 90.184 7.455 Y155H-N 120.886 8.572 D156H-N 127.823 8.478 L157H-N 120.394 7.082 G158H-N 112.984 9.248 W161H-N 122.961 8.609 M162H-N 116.679 9.519 L163H-N 120.197 8.902 N164H-N 121.362 8.941 N164HD21-ND2 121.709 7.503 N164HD22-ND2 121.709 9.125 S165H-N 118.523 8.299 D166H-N 121.899 8.947 V167H-N 118.822 9.202 R168H-N 122.853 8.486 R168HE-NE 93.194 7.943 Y169H-N 121.964 8.481 F172H-N 113.845 8.158 K173H-N 120.148 8.107 T174H-N 116.477 8.593 D175H-N 123.264 7.531 V176H-N 121.697 8.352 T177H-N 115.999 8.184 G178H-N 103.141 7.744 T179H-N 114.542 9.264 L180H-N 126.022 8.874 G181H-N 115.445 8.819 V183H-N 121.932 8.55 V185H-N 121.934 8.593 S186H-N 119.694 8.653 T187H-N 117.653 8.803 K188H-N 124.152 8.349 I189H-N 120.118 8.822 E190H-N 128.107 8.501 V191H-N 126.076 8.63 F194H-N 122.731 9.236 I195H-N 121.796 9.338 L196H-N 134.505 9.696 S197H-N 124.217 9.429 L198H-N 124.968 8.856 G199H-N 111.522 8.802 A200H-N 123.595 8.642 S201H-N 114.658 9.081 Y202H-N 124.888 9.074 V203H-N 120.911 8.437 F204H-N 126.178 9.287