Assignment w1 w2 K17H-N 121.516 8.133 L18H-N 121.962 7.527 E19H-N 128.027 8.874 I20H-N 124.226 8.412 K21H-N 127.501 8.912 A22H-N 129.405 8.958 A23H-N 128.658 9.05 G24H-N 106.977 7.415 T25H-N 113.527 8.069 E26H-N 125.485 8.902 G27H-N 118.502 9.1 S28H-N 121.906 8.747 L29H-N 127.6 8.173 T30H-N 124.748 8.822 T31H-N 123.203 8.212 Y32H-N 125.371 9.567 E33H-N 120.377 9.254 V34H-N 123.003 8.897 S35H-N 118.746 8.76 G36H-N 107.235 8.586 A37H-N 119.789 7.428 D38H-N 120.166 8.546 K39H-N 119.194 7.507 I40H-N 124.09 8.833 E41H-N 126.721 9.098 L42H-N 128.976 8.714 E43H-N 126.673 9.091 L44H-N 125.871 9.418 K45H-N 121.818 8.731 A46H-N 131.303 8.206 S47H-N 119.863 9.132 D48H-N 117.344 8.043 S49H-N 114.553 8.864 S50H-N 118.943 8.532 W51H-N 128.586 8.988 W51HE1-NE1 130.002 10.368 I52H-N 123.861 8.262 R53H-N 116.86 7.728 V54H-N 130.646 9.316 R55H-N 126.745 9.43 D56H-N 118.718 8.483 E57H-N 117.359 8.906 N58H-N 119.574 8.371 N58HD21-ND2 116.717 8.038 N58HD22-ND2 116.717 7.191 S59H-N 112.199 8.432 S60H-N 117.748 8.536 S61H-N 120.079 8.864 L62H-N 128.575 9.303 K63H-N 117.761 7.152 E64H-N 127.312 8.608 G65H-N 112.316 8.09 T66H-N 116.29 8.491 L67H-N 131.326 8.806 K68H-N 123.132 8.666 K69H-N 118.407 8.052 E71H-N 123.123 8.508 T72H-N 114.302 8.054 Y73H-N 125.301 8.93 K74H-N 127.734 7.806 K75H-N 122.287 8.566 D76H-N 127.955 8.767 I77H-N 121.523 8.811 T78H-N 120.839 8.58 D79H-N 115.012 8.281 Q80H-N 118.944 7.594 Q80HE21-NE2 111.664 7.299 Q80HE22-NE2 111.664 6.924 K81H-N 124.016 9.77 Q82H-N 110.551 7.25 Q82HE21-NE2 112.121 7.742 Q82HE22-NE2 112.121 6.74 V83H-N 111.141 8.402 D84H-N 117.663 8.538 I85H-N 121.25 9.318 R86H-N 128.049 9.249 T87H-N 117.313 8.799 G88H-N 112.853 8.747 Y89H-N 122.157 8.461 A90H-N 130.406 9.743 N92H-N 111.168 7.342 N92HD21-ND2 111.222 7.361 N92HD22-ND2 111.222 7.149 L93H-N 123.343 8.039 K94H-N 128.995 8.923 I95H-N 125.647 8.565 K96H-N 124.88 9.136 I97H-N 119.896 8.479 N98H-N 127.112 9.137 N98HD21-ND2 109.42 7.353 N98HD22-ND2 109.42 7.724 G99H-N 102.638 8.743 K100H-N 123.873 8.176 V101H-N 124.398 8.377 L102H-N 130.886 8.652 S103H-N 121.539 8.635 Y104H-N 127.663 8.405 E105H-N 125.834 8.214 L106H-N 121.703 8.631 D107H-N 124.56 8.263 K109H-N 112.391 7.794 K110H-N 117.322 7.321 V111H-N 122.626 8.282 M112H-N 123.07 7.88 A113H-N 121.224 7.605 Q114H-N 118.591 7.878 Q114HE21-NE2 109.64 7.868 Q114HE22-NE2 109.64 6.247 T115H-N 116.683 8.548 I116H-N 129.334 9.828 K117H-N 130.311 9.404 I118H-N 127.555 9.06 V119H-N 126.593 9.21 N120H-N 126.546 8.13 N120HD21-ND2 108.056 7.424 N120HD22-ND2 108.056 5.864 K121H-N 126.858 8.654