Assignment w1 w2 I3H-N 121.842 8.492 D4H-N 115.464 8.237 E5H-N 117.27 7.471 L6H-N 119.14 7.271 V7H-N 116.82 7.952 A9H-N 124.998 7.624 D10H-N 119.483 8.39 R12H-N 119.09 8.964 A13H-N 123.562 7.667 V14H-N 117.007 7.863 S15H-N 115.434 8.452 L16H-N 120.153 7.491 Y17H-N 114.373 7.774 T18H-N 117.24 8.179 Y20H-N 112.977 7.947 Y21H-N 118.73 7.502 S22H-N 119.027 8.737 Q23H-N 121.59 8.324 Q23HE21-NE2 112.627 7.754 Q23HE22-NE2 112.627 7.098 R26H-N 117.394 7.286 R27H-N 117.911 8.197 R28H-N 117.849 7.79 Y29H-N 113.82 7.467 L30H-N 122.903 7.851 Y32H-N 114.656 6.97 A33H-N 123.602 8.615 L34H-N 117.398 8.52 S35H-N 118.093 7.101 L36H-N 125.349 8.229 Y37H-N 120.48 9.024 Q38H-N 116.794 8.464 Q38HE21-NE2 108.12 7.672 Q38HE22-NE2 108.12 6.678 G39H-N 106.184 7.947 S40H-N 113.278 7.434 S41H-N 112.932 6.978 I42H-N 120.303 9.003 E43H-N 124.129 7.645 G44H-N 108.901 7.03 S45H-N 115.846 8.361 R46H-N 126.948 9.705 A47H-N 130.821 8.59 V48H-N 122.568 8.271 E49H-N 127.026 8.754 G50H-N 114.079 8.947 G51H-N 107.471 7.823 A52H-N 124.998 8.242 I54H-N 122.179 8.752 S55H-N 124.942 9.108 F56H-N 117.055 8.498 V57H-N 118.928 8.413 A58H-N 132.88 9.587 T59H-N 115.94 5.173 W60H-N 121.142 8.22 W60HE1-NE1 132.116 11.234 T61H-N 109.989 7.603 V62H-N 122.529 8.351 T63H-N 123.067 9.688 L65H-N 119.676 8.993 A67H-N 112.37 7.447 D68H-N 119.587 7.616 M69H-N 113.989 8.307 T70H-N 120.378 9.198 R71H-N 128.207 8.082 C72H-N 128.605 9.338 H73H-N 129.81 10.055 L74H-N 127.5 9.343 Q75H-N 121.401 8.447 Q75HE21-NE2 110.556 7.276 Q75HE22-NE2 110.556 6.953 F76H-N 128.852 9.296 N77H-N 118.512 9.504 N77HD21-ND2 112.075 6.954 N77HD22-ND2 112.075 8.043 N78H-N 112.871 9.15 N78HD21-ND2 113.11 7.641 N78HD22-ND2 113.11 6.886 D79H-N 118.666 8.083 A80H-N 128.522 8.915 E81H-N 116.096 8.875 L82H-N 123.287 7.849 T83H-N 113.791 6.866 Y84H-N 123.939 8.97 E85H-N 120.096 8.793 I86H-N 120.445 8.785 L87H-N 129.257 8.22 L88H-N 126.374 9.038 N90H-N 126.907 9.71 N90HD21-ND2 113.073 7.789 N90HD22-ND2 113.073 7.122 H91H-N 112.829 8.353 E92H-N 120.956 6.541 F93H-N 120.357 8.152 L94H-N 117.68 8.846 E95H-N 116.925 6.952 Y96H-N 116.665 6.837 L97H-N 118.442 7.696 I98H-N 121.582 8.494 D99H-N 120.172 7.987 M100H-N 123.552 8.305 L101H-N 122.989 8.432 M102H-N 120.819 8.633 G103H-N 107.785 8.511 Y104H-N 124.603 8.25 Q105H-N 118.66 8.033 Q105HE21-NE2 112.704 7.034 Q105HE22-NE2 112.704 7.719 R106H-N 115.237 7.694 M107H-N 113.822 8.315 Q108H-N 115.734 8.467 Q108HE21-NE2 112.415 6.474 Q108HE22-NE2 112.415 7.128 K109H-N 115.981 6.933 T110H-N 122.037 9.108 D111H-N 123.148 8.968 F112H-N 122.525 8.491 G114H-N 109.942 9.152 A115H-N 121.175 8.932 F116H-N 116.29 7.294 Y117H-N 117.349 6.86 R118H-N 117.717 8.021 R119H-N 118.395 6.988 L120H-N 119.863 8.05 L121H-N 114.389 8.143 G122H-N 106.469 7.463 Y123H-N 118.142 7.725 D124H-N 120.728 8.47 S125H-N 120.943 7.807