Assignment w1 w2 I4H-N 120.613 7.955 V5H-N 128.886 9.313 E6H-N 117.731 7.312 S7H-N 119.038 8.621 Y8H-N 122.732 9.535 A9H-N 127.768 8.9 R10H-N 124.553 7.31 A11H-N 125.563 8.349 A12H-N 115.988 8.326 G13H-N 102.811 6.909 V15H-N 122.042 8.283 H16H-N 124.542 8.691 L17H-N 122.959 8.975 R18H-N 124.049 9.954 V19H-N 123.325 8.874 R20H-N 126.262 7.644 M23H-N 116.907 8.869 D24H-N 123.336 8.021 C29H-N 118.272 7.671 V31H-N 119.161 7.225 V32H-N 126.672 7.518 V33H-N 126.39 7.97 N34H-N 119.98 8.853 G39H-N 102.025 7.874 L40H-N 116.177 8.299 L41H-N 116.936 7.776 A42H-N 123.268 7.817 A52H-N 119.276 8.055 N53H-N 114.511 7.507 N53HD21-ND2 114.498 7.954 N53HD22-ND2 114.498 7.204 A54H-N 122.813 7.361 T55H-N 109.743 8.599 A56H-N 121.433 8.729 L58H-N 118.005 7.172 A59H-N 120.288 7.83 A60H-N 120.25 7.083 D61H-N 120.431 8.027 C62H-N 117.44 8.265 R63H-N 118.462 7.998 R64H-N 115.845 7.222 L65H-N 118.127 7.254 A66H-N 121.085 7.181 C68H-N 124.392 9.526 T70H-N 116.656 8.101 G71H-N 116.076 9.863 E72H-N 118.275 8.125 A73H-N 117.173 8.019 V74H-N 114.424 8.745 A75H-N 125.387 8.858 T76H-N 109.29 9.517 G78H-N 105.933 7.448 H79H-N 113.176 7.929 G80H-N 100.855 8.371 C81H-N 113.79 7.494 G82H-N 110.588 8.256 Y83H-N 117.788 7.402 T84H-N 118.547 8.937 H85H-N 118.295 7.44 I86H-N 119.857 8.855 I87H-N 125.148 9.355 H88H-N 130.639 9.884 A89H-N 126.809 8.57 V90H-N 119.322 7.233 R93H-N 121.699 8.212 R94H-N 128.765 8.535 D97H-N 120.552 7.7 A99H-N 119.947 8.422 A100H-N 119.983 7.831 L101H-N 122.393 7.4 E102H-N 119.395 8.702 E103H-N 120.739 8.23 G104H-N 107.461 8.13 E105H-N 122.926 9.407 A106H-N 122.128 8.059 L107H-N 121.157 7.975 L108H-N 123.57 8.152 E109H-N 116.96 7.94 R110H-N 119.702 8.341 A111H-N 121.36 7.949 Y112H-N 113.068 7.078 R113H-N 120.828 8.829 S114H-N 118.447 9.55 I115H-N 123.556 7.655 V116H-N 118.225 7.664 A117H-N 119.349 8.518 L118H-N 121.249 7.749 A119H-N 120.335 8.445 A120H-N 119.342 8.647 A121H-N 120.635 7.673 R122H-N 114.88 7.261 R123H-N 114.944 7.475 W124H-N 121.624 8.403 W124HE1-NE1 128.322 9.711 A125H-N 124.513 8.482 C126H-N 112.828 7.406 V127H-N 120.58 8.579 A128H-N 130.12 8.618 C129H-N 125.789 9.32 G133H-N 113.015 9.506 A134H-N 119.092 7.57 G135H-N 114.341 9.498 G138H-N 104.54 7.583 W139H-N 122.709 9.052 W139HE1-NE1 130.559 10.29 S140H-N 117.319 9.686 A141H-N 124.241 8.983 A142H-N 118.042 8.761 E143H-N 118.158 8.163 S144H-N 113.129 8.106 L145H-N 119.255 8.707 R146H-N 118.672 8.527 A147H-N 121.304 7.331 A148H-N 122.691 7.551 L149H-N 116.355 8.167 A150H-N 123.312 7.959 A151H-N 121.617 8.54 T152H-N 102.868 7.311 R153H-N 118.555 7.232 A154H-N 120.831 7.168 E155H-N 122.635 8.403 A157H-N 120.617 8.751 E158H-N 112.85 7.028 R159H-N 119.227 8.254 V160H-N 123.985 8.836 S161H-N 120.199 8.527 L162H-N 129.559 8.29 H163H-N 126.236 9.307 I164H-N 128.146 9.463 C165H-N 125.82 8.615 H166H-N 124.555 8.962 R169H-N 128.249 8.951 A170H-N 122.313 8.662 T171H-N 116.695 7.721 L172H-N 119.807 7.309 T173H-N 114.823 8.789 H174H-N 122.017 8.379 A175H-N 119.045 7.678 S176H-N 111.502 7.959 V177H-N 124.159 7.867 L178H-N 120.944 7.889 V179H-N 116.004 8.109 G180H-N 108.366 7.924 A181H-N 122.413 7.682 L182H-N 118.741 7.773 E183H-N 119.382 7.997 H184H-N 119.097 8.056