Assignment w1 w2 A2H-N 108.894 8.622 S3H-N 115.493 8.455 S4H-N 118.533 8.456 S6H-N 115.448 8.484 S7H-N 117.668 8.394 L8H-N 123.29 8.043 T9H-N 112.776 8.628 Y10H-N 121.008 8.932 K11H-N 117.721 8.463 E12H-N 116.425 7.618 M13H-N 116.926 8.216 I14H-N 120.085 8.24 L15H-N 118.413 8.681 K16H-N 116.756 8.537 S17H-N 113.691 7.441 M18H-N 117.65 7.465 Q20H-N 110.945 7.367 Q20HE21-NE2 112.09 7.005 Q20HE22-NE2 112.09 7.553 L21H-N 119.484 7.126 N22H-N 123.729 9.617 N22HD21-ND2 111.969 6.884 N22HD22-ND2 111.969 7.94 D23H-N 113.715 8.917 G24H-N 104.658 7.954 K25H-N 118.474 7.909 G26H-N 109.052 8.129 S27H-N 113.573 8.731 S28H-N 118.906 8.883 R29H-N 123.043 9.453 I30H-N 116.229 8.083 V31H-N 122.993 7.29 L32H-N 121.691 7.871 K33H-N 118.653 8.676 K34H-N 117.005 7.61 Y35H-N 118.513 8.118 V36H-N 121.702 8.879 K37H-N 118.589 8.299 D38H-N 115.428 8.259 T39H-N 116.328 7.862 Y40H-N 119.612 7.942 I42H-N 119.294 8.332 V43H-N 118.581 7.479 G44H-N 105.524 8.465 S45H-N 111.506 7.564 A46H-N 108.875 7.912 S47H-N 119.216 9.264 N48H-N 117.173 8.206 N48HD21-ND2 109.697 6.873 N48HD22-ND2 109.697 7.698 F49H-N 119.063 7.631 D50H-N 116.674 8.748 Y51H-N 118.727 7.984 L52H-N 121.654 8.191 F53H-N 122.195 9.071 N54H-N 117.155 8.429 N54HD21-ND2 112.867 7.114 N54HD22-ND2 112.867 7.615 S55H-N 115.309 8.066 A56H-N 123.538 7.634 I57H-N 118.44 7.897 K58H-N 118.325 7.527 K59H-N 118.586 7.904 C60H-N 117.035 8.245 V61H-N 121.818 8.465 E62H-N 122.637 8.55 N63H-N 113.723 8.201 N63HD21-ND2 111.678 7.773 N63HD22-ND2 111.678 6.961 G64H-N 107.208 7.832 E65H-N 118.429 8.427 L66H-N 114.005 7.122 V67H-N 115.617 9.142 Q68H-N 122.325 8.86 Q68HE21-NE2 110.2 6.708 Q68HE22-NE2 110.2 7.017 K70H-N 119.043 9.174 G71H-N 107.086 7.58 S73H-N 112.963 8.554 G74H-N 109.467 7.659 I75H-N 118.523 8.083 I76H-N 123.124 8.544 K77H-N 121.389 8.683 L78H-N 121.29 8.75 N79H-N 120.917 7.842 N79HD21-ND2 111.774 6.996 N79HD22-ND2 111.774 7.921 K80H-N 124.522 8.379 K81H-N 120.737 8.167 K82H-N 121.507 8.084 V83H-N 121.678 8.097 K84H-N 108.377 8.47 L85H-N 124.561 8.471 S86H-N 116.989 8.414 T87H-N 120.367 7.88