Assignment w1 w2 M3H-N 119.899 8.529 A4H-N 125.059 8.348 D5H-N 119.526 8.272 K6H-N 121.762 8.24 R7H-N 121.698 8.377 G8H-N 109.751 8.431 D9H-N 120.355 8.272 G10H-N 109.057 8.447 L11H-N 121.365 8.14 H12H-N 119.254 8.342 G13H-N 110.094 8.287 I14H-N 119.819 8.0 V15H-N 127.809 9.043 S16H-N 118.898 8.268 C17H-N 124.099 8.915 T18H-N 121.908 8.808 A19H-N 131.205 9.645 C20H-N 115.225 8.475 G21H-N 112.413 7.817 Q22H-N 122.06 8.738 Q23H-N 123.135 8.725 Q23HE21-NE2 111.884 6.946 Q23HE22-NE2 111.884 7.728 V24H-N 121.379 8.705 N25H-N 121.804 8.622 Q28H-N 119.485 7.51 K29H-N 124.39 8.798 D30H-N 116.515 8.541 S31H-N 111.763 7.917 I32H-N 113.581 7.09 Y33H-N 119.205 8.901 R34H-N 118.7 8.423 H35H-N 126.699 9.789 S37H-N 110.626 8.941 L38H-N 120.801 8.509 Q39H-N 108.902 8.533 V40H-N 105.399 6.283 L41H-N 123.315 9.138 I42H-N 124.667 9.794 C43H-N 121.901 9.861 K44H-N 118.169 8.116 N45H-N 119.5 8.357 C46H-N 126.197 9.162 F47H-N 121.6 8.83 K48H-N 117.506 8.418 Y49H-N 119.798 8.019 Y50H-N 122.8 8.705 M51H-N 112.013 7.804 S52H-N 115.7 7.513 D53H-N 119.016 7.273 D54H-N 120.622 8.522 I55H-N 125.0 8.264 S56H-N 126.208 8.652 R57H-N 118.722 8.223 D58H-N 122.288 9.033 S59H-N 114.0 8.529 D60H-N 121.405 8.317 G61H-N 108.866 8.338 M62H-N 121.115 8.416 D63H-N 124.942 9.166 E64H-N 114.548 8.469 Q65H-N 115.056 7.189 C66H-N 122.897 8.502 R67H-N 130.904 9.183 W68H-N 124.574 9.646 W68HE1-NE1 126.55 10.112 C69H-N 116.004 8.729 A70H-N 122.176 8.816 E71H-N 121.489 9.019 G72H-N 108.403 8.732 G73H-N 106.589 8.091 N74H-N 121.486 8.855 N74HD21-ND2 113.942 7.84 N74HD22-ND2 113.942 7.059 L75H-N 120.047 8.228 I76H-N 124.803 9.371 C77H-N 125.408 8.685 C78H-N 125.794 8.786 D79H-N 124.265 8.616 F80H-N 122.212 10.325 C81H-N 125.013 8.59 H82H-N 113.006 7.001 N83H-N 123.394 9.167 A84H-N 122.104 9.683 F85H-N 116.724 9.265 C86H-N 126.181 10.982 K87H-N 117.628 8.364 K88H-N 118.838 7.941 C89H-N 125.5 9.267 I90H-N 119.795 7.865 L91H-N 120.336 8.779 R92H-N 117.121 8.105 N93H-N 111.3 7.167 L94H-N 119.184 8.474 G95H-N 108.515 7.985 R96H-N 118.208 8.551 K97H-N 121.459 8.579 E98H-N 122.221 7.751 L99H-N 117.884 7.345 S100H-N 112.805 8.413 T101H-N 118.186 7.999 I102H-N 121.805 7.856 M103H-N 115.629 7.758 D104H-N 120.337 7.35 E105H-N 125.38 8.688 N106H-N 117.48 8.701 N107H-N 117.668 7.843 Q108H-N 121.404 8.459 W109H-N 128.208 10.537 W109HE1-NE1 133.168 10.338 Y110H-N 126.617 7.488 C111H-N 124.788 8.605 I113H-N 119.848 9.243 C114H-N 124.18 7.84 H115H-N 116.79 8.938 E117H-N 124.117 8.761 L119H-N 112.305 8.084 L120H-N 121.496 7.824 D121H-N 118.814 8.678 L122H-N 123.512 8.017 V123H-N 127.108 8.79 T124H-N 117.686 8.73 A125H-N 124.95 8.256 C126H-N 119.384 8.147 N127H-N 118.184 8.708 N127HD21-ND2 112.14 7.009 N127HD22-ND2 112.14 7.944 S128H-N 116.797 8.541 V129H-N 123.458 7.994 F130H-N 118.795 8.205 E131H-N 121.068 8.682 N132H-N 118.163 8.073 L133H-N 121.179 7.899 E134H-N 118.359 8.167 Q135H-N 117.61 7.864 L136H-N 121.267 7.963 L137H-N 119.215 8.175 Q138H-N 118.115 7.903 Q139H-N 119.168 8.061 N140H-N 118.478 8.225 K141H-N 121.884 8.049 K142H-N 128.257 8.004