Assignment w1 w2 S1H-N 116.488 8.24 A2H-N 125.14 8.325 D3H-N 119.14 8.174 I4H-N 120.366 7.952 D5H-N 123.672 8.354 A6H-N 125.255 8.279 S7H-N 114.579 8.334 S8H-N 117.443 8.17 A9H-N 125.347 8.142 M10H-N 118.816 8.187 D11H-N 121.522 8.335 T12H-N 114.331 8.152 S13H-N 118.267 8.345 E14H-N 123.535 8.316 A16H-N 124.201 8.402 K17H-N 121.032 8.31 E18H-N 122.337 8.501 E19H-N 121.7 8.485 D20H-N 121.474 8.413 D21H-N 119.628 8.301 Y22H-N 121.722 7.902 D23H-N 127.179 7.634 V24H-N 125.727 8.425 M25H-N 114.438 7.988 Q26H-N 115.023 7.497 Q26HE21-NE2 112.624 7.696 Q26HE22-NE2 112.624 6.8 D27H-N 119.675 7.559 E29H-N 118.24 8.459 F30H-N 120.527 7.551 L31H-N 119.93 8.297 Q32H-N 118.113 8.517 Q32HE21-NE2 110.898 7.795 Q32HE22-NE2 110.898 6.684 S33H-N 113.495 7.267 V34H-N 122.002 7.427 L35H-N 118.248 7.896 E36H-N 111.157 7.985 N37H-N 113.741 7.021 N37HD21-ND2 116.062 8.117 N37HD22-ND2 116.062 7.037 L38H-N 124.175 7.042 G40H-N 114.831 9.058 V41H-N 121.39 7.305 D42H-N 126.751 9.136 N44H-N 113.079 8.131 N44HD21-ND2 114.733 7.81 N44HD22-ND2 114.733 6.963 N45H-N 121.128 7.903 N45HD21-ND2 114.681 8.182 N45HD22-ND2 114.681 7.145 E46H-N 126.891 9.137 A47H-N 120.77 8.01 I48H-N 118.491 7.631 R49H-N 119.29 8.171 N50H-N 116.571 8.232 N50HD21-ND2 112.631 7.628 N50HD22-ND2 112.631 6.982 A51H-N 123.976 7.785 M52H-N 115.395 8.415 G53H-N 107.64 8.071 S54H-N 115.92 7.999 L55H-N 122.51 7.876 A56H-N 122.064 8.049 S57H-N 113.896 8.07 Q58H-N 121.422 8.203 Q58HE21-NE2 112.528 7.526 Q58HE22-NE2 112.528 6.866 A59H-N 123.617 8.133 T60H-N 112.845 8.042 K61H-N 123.268 8.285 D62H-N 120.526 8.334 G63H-N 109.014 8.27 K64H-N 120.633 8.137 K65H-N 122.117 8.313 D66H-N 121.339 8.331 K67H-N 121.778 8.201 K68H-N 123.004 8.436 E69H-N 122.212 8.483 E70H-N 121.474 8.493 D71H-N 121.34 8.358 K72H-N 121.989 8.136 K73H-N 128.167 7.965 M1H-N 120.308 8.392 K2H-N 120.949 8.241 R3H-N 119.968 8.201 A4H-N 120.423 7.914 A5H-N 120.429 7.905 A6H-N 120.874 7.918 K7H-N 117.353 8.619 H8H-N 114.737 7.833 L9H-N 119.214 8.044 I10H-N 120.082 8.775 E11H-N 117.681 8.286 R12H-N 121.682 8.181 Y13H-N 121.188 9.011 Y14H-N 119.74 9.004 H15H-N 120.082 8.822 Q16H-N 121.836 8.481 Q16HE21-NE2 108.395 7.316 Q16HE22-NE2 108.395 7.244 L17H-N 116.91 7.961 T18H-N 104.765 7.166 E19H-N 121.828 8.122 G20H-N 107.501 7.64 C21H-N 117.919 7.513 G22H-N 112.648 8.706 N23H-N 121.872 8.414 N23HD21-ND2 113.333 7.634 N23HD22-ND2 113.333 6.83 E24H-N 124.462 8.863 A25H-N 122.051 7.978 C26H-N 124.137 7.418 T27H-N 115.393 7.894 N28H-N 127.737 9.37 N28HD21-ND2 114.29 8.486 N28HD22-ND2 114.29 6.512 E29H-N 123.841 8.555 F30H-N 117.393 7.47 C31H-N 121.946 7.435 A32H-N 128.067 7.918 S33H-N 119.119 9.583 C34H-N 124.791 8.03 T36H-N 107.069 7.535 F37H-N 124.902 7.782 L38H-N 130.81 7.511 R39H-N 122.647 7.952 M40H-N 120.9 8.479 D41H-N 120.563 8.479 N42H-N 118.481 8.684 N42HD21-ND2 109.551 7.28 N42HD22-ND2 109.551 6.991 N43H-N 116.482 8.211 N43HD21-ND2 113.311 7.723 N43HD22-ND2 113.311 6.951 A44H-N 122.059 8.068 A45H-N 121.85 8.796 A46H-N 122.398 8.139 I47H-N 114.52 7.089 K48H-N 121.307 8.337 A49H-N 122.699 8.816 L50H-N 115.59 7.204 E51H-N 119.551 7.435 L52H-N 117.576 8.507 Y53H-N 119.102 7.637 K54H-N 120.373 7.96 I55H-N 108.891 7.378 N56H-N 121.339 7.804 N56HD21-ND2 112.323 7.461 N56HD22-ND2 112.323 6.71 A57H-N 119.331 7.702 K58H-N 122.384 8.641 L59H-N 129.821 8.513 C60H-N 125.999 8.546 D61H-N 123.472 8.601 H63H-N 120.77 8.458