Assignment w1 w2 E4H-N 120.9 8.619 A5H-N 124.933 8.177 A6H-N 122.832 8.022 A7H-N 126.532 8.447 F8H-N 117.718 7.892 V9H-N 118.379 9.181 K10H-N 122.749 8.579 V11H-N 121.189 9.029 S12H-N 120.227 8.278 M13H-N 122.634 9.327 D14H-N 128.529 8.371 A16H-N 123.553 8.1 L19H-N 123.24 8.654 R20H-N 120.697 8.628 K21H-N 120.083 8.444 I22H-N 119.701 9.072 D23H-N 124.216 8.536 L24H-N 123.495 8.824 R25H-N 113.196 8.187 M26H-N 115.476 7.441 Y27H-N 118.377 7.458 K28H-N 115.547 8.515 S29H-N 109.45 6.309 Y30H-N 118.207 8.096 E32H-N 119.614 7.486 L33H-N 120.713 7.701 S34H-N 114.723 8.792 N35H-N 119.177 7.67 N35HD21-ND2 113.158 7.663 N35HD22-ND2 113.158 6.968 A36H-N 122.872 7.728 L37H-N 118.281 8.666 S38H-N 113.847 8.056 N39H-N 118.644 7.667 N39HD21-ND2 113.118 7.518 N39HD22-ND2 113.118 6.917 M40H-N 118.846 7.99 F41H-N 117.3 7.94 F44H-N 120.87 7.904 T45H-N 112.117 7.948 M46H-N 120.76 8.117 K48H-N 120.29 8.022 H49H-N 120.62 8.339 G50H-N 109.04 8.131 E52H-N 120.753 8.435 E53H-N 121.287 8.612 G54H-N 109.34 8.358 M55H-N 119.686 8.075 I56H-N 121.601 8.103 D57H-N 123.441 8.308 F58H-N 120.739 8.12 M59H-N 119.679 8.238 N60H-N 118.52 8.106 N60HD21-ND2 113.285 7.772 N60HD22-ND2 113.285 6.911 E61H-N 120.721 8.363 R62H-N 120.81 8.204 K63H-N 121.032 8.165 L64H-N 121.735 8.134 M65H-N 118.827 8.166 D66H-N 120.092 8.103 L67H-N 121.43 7.978 V68H-N 119.177 7.961 N69H-N 120.385 8.314 N69HD21-ND2 113.269 7.656 N69HD22-ND2 113.269 6.838 S70H-N 115.71 8.095 W71H-N 122.048 7.99 W71HE1-NE1 129.73 10.127 D72H-N 122.594 8.115 Y73H-N 117.3 7.045 V74H-N 120.189 9.283 S76H-N 121.727 9.473 Y77H-N 120.791 10.038 E78H-N 123.435 7.688 N79H-N 125.467 8.344 N79HD21-ND2 111.979 7.608 N79HD22-ND2 111.979 7.545 K80H-N 117.274 8.111 D81H-N 117.703 7.415 G82H-N 107.505 8.061 N83H-N 118.1 7.548 N83HD21-ND2 114.177 7.785 N83HD22-ND2 114.177 6.956 W84H-N 121.73 8.536 W84HE1-NE1 129.15 9.926 M85H-N 122.532 9.013 L86H-N 121.676 8.566 V87H-N 121.066 7.817 G88H-N 114.92 8.748 D89H-N 121.601 8.367 V90H-N 112.065 7.377 W92H-N 124.195 9.414 W92HE1-NE1 128.79 9.548 M94H-N 114.813 6.956 F95H-N 124.744 7.852 V96H-N 117.581 7.538 D97H-N 114.814 6.829 T98H-N 107.956 7.317 C99H-N 122.14 7.741 K100H-N 127.007 9.397 R101H-N 116.293 7.618 L102H-N 121.938 8.97 R103H-N 123.937 9.493 L104H-N 128.458 9.097 M105H-N 123.141 8.396 K106H-N 123.892 9.029 G107H-N 112.179 8.277 S108H-N 114.048 8.16 D109H-N 121.457 7.979 A110H-N 123.338 7.904 I111H-N 118.593 7.709 G112H-N 112.445 8.297 L113H-N 127.135 7.547