Assignment w1 w2 L2H-N 124.589 8.858 E3H-N 118.833 9.299 D4H-N 118.286 8.188 Y5H-N 119.641 8.336 A6H-N 122.727 6.748 I7H-N 124.318 8.665 S8H-N 122.739 8.884 L9H-N 126.321 8.077 E10H-N 112.911 8.361 E11H-N 114.276 7.284 V12H-N 121.932 7.077 N13H-N 121.232 7.996 N13HD21-ND2 111.6 7.586 N13HD22-ND2 111.6 7.095 F14H-N 120.637 6.268 N15H-N 113.599 8.184 N15HD21-ND2 115.0 7.943 N15HD22-ND2 115.0 7.292 D16H-N 117.808 7.68 F17H-N 116.207 7.648 I18H-N 121.498 8.674 V19H-N 129.378 9.009 V20H-N 131.965 9.606 D21H-N 129.516 8.367 V22H-N 114.833 8.095 R23H-N 120.418 7.467 R23HH11-NH1 76.066 8.199 R23HE-NE 82.053 9.749 E24H-N 111.001 7.372 L25H-N 122.468 8.842 D26H-N 114.189 8.671 E27H-N 120.618 7.235 Y28H-N 121.871 7.703 E29H-N 116.326 8.727 E30H-N 119.394 7.225 L31H-N 118.039 7.512 H32H-N 114.425 8.196 L33H-N 124.819 10.099 N35H-N 113.231 8.736 N35HD21-ND2 113.8 7.786 N35HD22-ND2 113.8 6.849 A36H-N 122.419 7.434 T37H-N 121.183 8.334 L38H-N 130.981 8.306 I39H-N 131.1 8.612 S40H-N 118.068 8.123 V41H-N 124.29 7.739 N42H-N 116.715 8.344 N42HD21-ND2 115.7 7.61 N42HD22-ND2 115.7 6.932 D43H-N 125.038 8.417 Q44H-N 119.49 7.762 Q44HE21-NE2 110.931 7.722 Q44HE22-NE2 110.931 6.696 E45H-N 119.373 8.705 K46H-N 120.645 7.545 L47H-N 122.201 8.005 A48H-N 121.483 8.239 D49H-N 117.231 8.001 F50H-N 122.379 8.265 L51H-N 120.277 8.653 S52H-N 115.63 8.332 Q53H-N 119.056 7.405 Q53HE21-NE2 112.5 7.163 Q53HE22-NE2 112.5 6.751 H54H-N 117.8 7.311 K55H-N 119.903 7.646 D56H-N 116.429 8.853 K57H-N 119.51 7.655 K58H-N 120.091 8.265 V59H-N 127.047 9.233 L60H-N 129.197 9.228 L61H-N 125.903 9.055 H62H-N 119.183 9.148 H62HD1-ND1 199.783 11.844 C63H-N 120.896 9.389 R64H-N 130.651 8.658 A65H-N 118.548 8.166 G66H-N 114.644 9.3 R67H-N 121.922 8.118 R67HH11-NH1 87.074 8.538 R67HE-NE 80.004 7.567 R68H-N 123.821 9.366 A69H-N 125.465 10.112 L70H-N 118.427 7.746 D71H-N 120.18 7.662 A72H-N 122.299 8.796 A73H-N 121.294 8.672 K74H-N 119.404 8.914 S75H-N 114.306 7.874 M76H-N 119.51 8.401 H77H-N 123.245 9.45 E78H-N 121.124 7.832 L79H-N 116.655 7.161 G80H-N 105.216 7.545 Y81H-N 119.66 7.519 T82H-N 105.368 8.786 Y84H-N 119.88 9.497 Y85H-N 116.764 8.57 L86H-N 121.589 8.196 E87H-N 128.779 9.146 G88H-N 112.564 7.349 N89H-N 121.363 8.756 N89HD21-ND2 111.7 7.681 N89HD22-ND2 111.7 6.901 V90H-N 128.99 8.928 Y91H-N 119.51 8.33 D92H-N 117.541 8.654 F93H-N 123.205 7.673 E94H-N 118.657 9.164 K95H-N 121.494 8.005 Y96H-N 117.421 7.71 G97H-N 105.806 7.796 F98H-N 120.718 7.323 R99H-N 122.817 7.903 M100H-N 121.483 8.133 V101H-N 119.94 8.471 Y102H-N 126.39 8.612 D103H-N 120.738 8.071 D104H-N 121.582 8.642 T105H-N 113.632 8.119 C106H-N 129.098 8.013 K108H-N 121.982 8.216 K109H-N 122.966 8.411 N110H-N 124.927 8.075 N110HD21-ND2 113.4 7.696 N110HD22-ND2 113.4 6.975