Assignment w1 w2 S12H-N 115.957 8.255 K13H-N 122.745 8.552 T14H-N 116.52 7.948 L15H-N 127.961 8.159 D17H-N 122.208 8.468 K18H-N 115.743 8.029 F19H-N 117.906 7.745 L20H-N 114.037 7.263 G21H-N 109.148 8.753 T22H-N 117.563 8.309 F23H-N 124.04 9.702 K24H-N 126.441 9.13 L25H-N 131.406 9.371 E26H-N 126.454 9.458 R27H-N 112.107 7.651 D28H-N 116.271 8.521 E29H-N 115.737 8.647 F31H-N 120.872 8.814 D32H-N 118.291 8.77 E33H-N 116.335 8.351 Y34H-N 123.05 7.742 L35H-N 119.822 8.414 K36H-N 118.988 8.346 A37H-N 125.42 7.97 R38H-N 118.276 8.048 R38HE-NE 82.144 5.621 G39H-N 105.772 7.498 Y40H-N 119.494 7.606 G41H-N 112.367 9.023 I43H-N 117.555 8.251 M44H-N 118.292 7.789 R45H-N 117.2 8.711 Q46H-N 115.919 7.432 Q46HE21-NE2 112.159 6.732 Q46HE22-NE2 112.159 6.459 V47H-N 117.532 7.227 I48H-N 117.523 8.101 K49H-N 117.466 8.338 L50H-N 116.104 7.318 A51H-N 122.422 7.017 G52H-N 112.009 8.352 V53H-N 118.673 7.128 T54H-N 126.039 9.405 K55H-N 125.454 9.506 K56H-N 119.926 8.822 F57H-N 119.89 8.933 R58H-N 117.305 8.728 N59H-N 119.781 8.629 N59HD21-ND2 113.04 7.774 N59HD22-ND2 113.04 7.093 A60H-N 125.942 8.215 A61H-N 131.247 9.831 S62H-N 113.132 8.475 G63H-N 109.551 7.839 K64H-N 122.381 7.392 D66H-N 116.087 8.418 R67H-N 113.517 6.552 Y68H-N 120.868 8.694 D69H-N 112.53 8.255 M70H-N 119.654 9.487 E71H-N 123.66 9.024 N72H-N 119.715 7.531 N72HD21-ND2 115.357 8.427 N72HD22-ND2 115.357 6.362 L73H-N 123.095 9.259 T74H-N 117.475 8.698 T75H-N 109.197 8.021 K76H-N 117.278 7.563 K77H-N 119.682 7.005 D78H-N 127.254 8.591 T79H-N 110.57 9.401 H80H-N 121.346 8.065 H81H-N 125.696 9.426 H81HD1-ND1 169.021 13.445 K82H-N 125.666 9.083 D83H-N 121.242 8.981 W84H-N 118.909 8.857 W84HE1-NE1 123.64 7.958 A85H-N 120.645 9.102 L86H-N 124.498 9.643 G87H-N 110.765 10.061 E88H-N 121.281 7.835 E89H-N 134.415 8.882 F90H-N 125.037 8.991 Q91H-N 121.094 8.805 Q91HE21-NE2 112.683 6.883 Q91HE22-NE2 112.683 8.04 D92H-N 124.053 9.093 E93H-N 121.377 8.352 A94H-N 129.753 8.209 L95H-N 120.582 9.231 D96H-N 113.328 7.126 S97H-N 107.403 8.293 T98H-N 112.678 8.26 Q99H-N 115.34 8.56 Q99HE21-NE2 114.218 7.891 Q99HE22-NE2 114.218 7.018 H100H-N 123.015 9.427 K101H-N 119.915 9.361 I102H-N 128.653 8.942 T103H-N 116.914 7.796 F104H-N 132.89 10.122 D105H-N 121.7 9.173 L106H-N 122.093 9.023 K107H-N 128.144 8.377 D108H-N 115.78 8.433 N110H-N 110.362 8.304 N110HD21-ND2 115.259 7.795 N110HD22-ND2 115.259 7.091 T111H-N 118.427 7.85 L112H-N 132.373 8.574 T113H-N 117.491 9.872 E114H-N 124.865 8.717 T115H-N 125.108 8.746 H116H-N 124.516 9.414 I117H-N 125.469 9.096 K118H-N 127.222 7.499 V119H-N 125.841 7.926 D120H-N 115.385 8.809 D121H-N 112.574 6.707 T123H-N 107.026 7.573 D124H-N 127.075 8.456 V125H-N 123.585 7.174 E126H-N 127.368 8.74 T127H-N 122.873 8.916 Y128H-N 130.617 9.129 E129H-N 119.47 8.375 Y130H-N 122.111 10.006 R131H-N 118.116 8.856 R132H-N 120.893 9.444 R132HE-NE 79.805 6.628 D133H-N 124.282 8.586 G134H-N 116.039 9.013 Y136H-N 115.117 8.376 L137H-N 127.764 9.998 V138H-N 129.462 9.708 M139H-N 130.006 9.412 K140H-N 128.818 9.484 M141H-N 124.549 8.416 S142H-N 117.171 10.16 W143H-N 126.683 9.16 W143HE1-NE1 127.41 10.069 K144H-N 123.268 8.487 G145H-N 103.583 8.524 V146H-N 124.659 8.167 S147H-N 120.741 8.675 T148H-N 119.094 9.011 S149H-N 120.25 7.408 R150H-N 122.251 9.268 Y152H-N 124.226 9.799 K153H-N 129.051 9.415 K154H-N 133.301 9.175 Q155H-N 132.205 8.646 Q155HE21-NE2 115.543 7.044 Q155HE22-NE2 115.543 7.475 S12H-N 116.034 8.271 K13H-N 122.741 8.554 T14H-N 116.526 7.959 L15H-N 127.983 8.18 D17H-N 122.185 8.481 K18H-N 115.758 8.026 F19H-N 117.927 7.757 L20H-N 114.063 7.273 G21H-N 109.144 8.761 T22H-N 117.512 8.318 F23H-N 124.035 9.709 K24H-N 126.521 9.145 L25H-N 131.408 9.389 E26H-N 126.451 9.46 R27H-N 112.102 7.658 D28H-N 116.216 8.527 E29H-N 115.747 8.656 F31H-N 120.802 8.814 D32H-N 118.233 8.798 E33H-N 116.23 8.303 Y34H-N 123.061 7.743 L35H-N 119.728 8.402 K36H-N 118.958 8.35 A37H-N 125.415 7.972 R38H-N 118.278 8.046 R38HE-NE 82.144 5.616 G39H-N 105.724 7.5 Y40H-N 119.45 7.601 G41H-N 112.362 9.048 I43H-N 117.673 8.233 M44H-N 118.311 7.808 R45H-N 117.297 8.705 Q46H-N 115.951 7.428 Q46HE21-NE2 112.055 6.715 Q46HE22-NE2 112.055 6.473 V47H-N 117.592 7.261 I48H-N 117.538 8.121 K49H-N 117.381 8.338 L50H-N 116.09 7.328 A51H-N 122.415 7.028 G52H-N 112.046 8.359 V53H-N 118.657 7.131 T54H-N 126.017 9.42 K55H-N 125.45 9.516 K56H-N 119.945 8.828 F57H-N 119.884 8.942 R58H-N 117.286 8.734 N59H-N 119.772 8.643 N59HD21-ND2 113.045 7.779 N59HD22-ND2 113.045 7.095 A60H-N 125.975 8.226 A61H-N 131.254 9.844 S62H-N 113.149 8.491 G63H-N 109.553 7.843 K64H-N 122.403 7.399 D66H-N 116.027 8.424 R67H-N 113.502 6.556 Y68H-N 120.802 8.706 D69H-N 112.599 8.268 M70H-N 119.625 9.493 E71H-N 123.637 9.035 N72H-N 119.704 7.53 N72HD21-ND2 115.385 8.43 N72HD22-ND2 115.385 6.373 L73H-N 123.105 9.274 T74H-N 117.383 8.716 T75H-N 109.196 8.019 K76H-N 117.274 7.567 K77H-N 119.677 7.015 D78H-N 127.295 8.608 T79H-N 110.585 9.418 H80H-N 121.423 8.089 H81H-N 125.775 9.441 H81HD1-ND1 168.951 13.456 K82H-N 125.663 9.085 D83H-N 121.215 8.98 W84H-N 118.919 8.861 W84HE1-NE1 123.624 7.964 A85H-N 120.644 9.118 L86H-N 124.511 9.654 G87H-N 110.788 10.077 E88H-N 121.28 7.84 E89H-N 134.43 8.893 F90H-N 125.048 8.994 Q91H-N 121.019 8.812 Q91HE21-NE2 112.684 6.89 Q91HE22-NE2 112.684 8.045 D92H-N 124.025 9.091 E93H-N 121.388 8.348 A94H-N 129.726 8.219 L95H-N 120.565 9.246 D96H-N 113.285 7.135 S97H-N 107.417 8.293 T98H-N 112.715 8.268 Q99H-N 115.364 8.572 Q99HE21-NE2 114.226 7.898 Q99HE22-NE2 114.226 7.027 H100H-N 122.997 9.412 K101H-N 119.927 9.373 I102H-N 128.67 8.946 T103H-N 116.915 7.81 F104H-N 132.886 10.134 D105H-N 121.7 9.182 L106H-N 122.149 9.033 K107H-N 128.104 8.372 D108H-N 115.798 8.436 N110H-N 110.374 8.316 N110HD21-ND2 115.261 7.796 N110HD22-ND2 115.261 7.08 T111H-N 118.416 7.864 L112H-N 132.325 8.585 T113H-N 117.489 9.873 E114H-N 124.9 8.725 T115H-N 125.037 8.75 H116H-N 124.525 9.423 I117H-N 125.48 9.106 K118H-N 127.208 7.51 V119H-N 125.826 7.934 D120H-N 115.395 8.818 D121H-N 112.572 6.715 T123H-N 107.034 7.583 D124H-N 127.109 8.463 V125H-N 123.584 7.178 E126H-N 127.367 8.746 T127H-N 122.88 8.925 Y128H-N 130.625 9.144 E129H-N 119.493 8.378 Y130H-N 122.137 10.021 R131H-N 118.112 8.859 R132H-N 120.893 9.443 R132HE-NE 79.736 6.629 D133H-N 124.287 8.587 G134H-N 116.081 9.006 Y136H-N 115.114 8.381 L137H-N 127.756 10.018 V138H-N 129.474 9.732 M139H-N 129.988 9.426 K140H-N 128.812 9.495 M141H-N 124.542 8.428 S142H-N 117.225 10.182 W143H-N 126.63 9.173 W143HE1-NE1 127.403 10.072 K144H-N 123.26 8.499 G145H-N 103.59 8.529 V146H-N 124.658 8.168 S147H-N 120.829 8.692 T148H-N 119.106 9.023 S149H-N 120.238 7.415 R150H-N 121.982 9.293 Y152H-N 124.198 9.803 K153H-N 129.055 9.426 K154H-N 133.29 9.186 Q155H-N 132.198 8.656 Q155HE21-NE2 115.551 7.058 Q155HE22-NE2 115.551 7.473