Assignment w1 w2 H5H-N 119.952 8.056 L14H-N 121.68 8.055 Y15H-N 119.367 8.014 F16H-N 120.537 7.967 Q17H-N 119.994 7.498 Q17HE21-NE2 109.387 7.175 Q17HE22-NE2 109.387 6.584 M20H-N 118.951 8.282 A21H-N 125.126 8.205 A22H-N 123.755 8.276 D24H-N 118.021 8.315 R25H-N 116.053 7.544 H26H-N 125.572 8.588 T27H-N 120.101 8.75 V28H-N 129.045 9.174 F29H-N 126.864 8.524 W30H-N 131.642 8.733 W30HE1-NE1 126.774 8.972 N31H-N 116.135 7.281 N31HD21-ND2 116.477 8.185 N31HD22-ND2 116.477 7.114 S32H-N 115.966 10.298 S33H-N 118.225 8.741 N34H-N 122.669 7.488 N34HD21-ND2 115.278 9.396 N34HD22-ND2 115.278 7.747 K36H-N 117.95 7.936 F37H-N 112.27 7.127 R38H-N 119.072 7.578 N39H-N 115.793 7.959 N39HD21-ND2 112.53 7.731 N39HD22-ND2 112.53 6.925 D41H-N 117.626 8.157 Y42H-N 124.117 8.12 T43H-N 129.829 9.083 I44H-N 122.755 8.725 H45H-N 124.299 8.243 V46H-N 115.661 8.482 Q47H-N 119.423 8.491 Q47HE21-NE2 113.107 7.856 Q47HE22-NE2 113.107 6.823 L48H-N 121.08 8.614 N49H-N 115.974 8.928 N49HD21-ND2 113.369 7.654 N49HD22-ND2 113.369 6.904 D50H-N 119.311 8.117 Y51H-N 115.055 8.8 V52H-N 121.176 9.102 D53H-N 127.616 8.96 I54H-N 124.922 9.287 I55H-N 126.202 9.161 C56H-N 127.503 8.688 H58H-N 121.512 8.574 Y59H-N 124.647 7.928 V64H-N 121.164 7.657 A65H-N 127.343 8.368 D66H-N 121.276 8.359 A67H-N 118.541 8.275 A68H-N 118.935 7.733 M69H-N 118.809 7.243 E70H-N 122.742 8.279 Y72H-N 127.902 8.097 I73H-N 121.885 9.244 L74H-N 126.232 8.682 Y75H-N 120.204 9.415 L76H-N 126.77 8.396 V77H-N 119.086 9.147 E78H-N 117.72 8.488 H79H-N 119.839 8.79 E80H-N 117.413 9.015 E81H-N 118.223 7.169 Y82H-N 121.122 7.747 Q83H-N 119.786 8.303 Q83HE21-NE2 111.253 7.12 Q83HE22-NE2 111.253 6.92 L84H-N 116.814 7.442 C85H-N 121.039 7.993 Q86H-N 116.084 7.741 Q86HE21-NE2 111.269 7.435 Q86HE22-NE2 111.269 6.853 K90H-N 117.481 9.082 N98H-N 118.303 7.869 R99H-N 119.701 9.25 S101H-N 112.303 8.313 G105H-N 107.292 7.158 E111H-N 128.889 9.206 K112H-N 127.3 8.598 F113H-N 124.033 8.166 E124H-N 121.851 9.8 K126H-N 118.317 8.289 E127H-N 119.378 9.024 G128H-N 111.762 8.376 H129H-N 119.938 7.784 S130H-N 113.603 7.839 Y131H-N 121.468 9.041 Y132H-N 117.595 7.385 Y133H-N 120.377 9.643 I134H-N 111.882 8.954 S135H-N 112.055 8.324 I138H-N 120.381 7.703 H139H-N 117.681 8.689 Q140H-N 117.156 7.941 Q140HE21-NE2 110.675 6.664 Q140HE22-NE2 110.675 7.546 D143H-N 124.127 8.613 R144H-N 118.838 7.948 C145H-N 122.022 8.71 R147H-N 116.934 7.41 L148H-N 122.224 9.803 K149H-N 127.923 8.181 V150H-N 126.647 9.14 T151H-N 124.204 8.708 V152H-N 128.353 8.622 S153H-N 124.941 9.131 G154H-N 109.609 8.56 K155H-N 120.551 8.339 I156H-N 123.532 8.385 T157H-N 119.296 8.269 H158H-N 127.502 7.971