Assignment w1 w2 H3H-N 118.935 8.636 M4H-N 121.568 8.392 Q5H-N 122.157 8.558 Q5HE21-NE2 112.423 6.934 Q5HE22-NE2 112.423 7.662 A6H-N 124.272 8.422 I7H-N 119.448 7.903 S8H-N 119.895 8.7 E9H-N 121.475 8.655 K10H-N 120.006 8.568 D11H-N 119.6 8.303 R12H-N 123.26 8.636 R12HE-NE 84.388 7.296 G13H-N 109.02 9.122 N14H-N 121.862 9.229 N14HD21-ND2 109.679 7.74 N14HD22-ND2 109.679 7.232 G15H-N 108.728 8.095 F16H-N 120.675 7.657 F17H-N 122.751 9.429 K18H-N 120.701 8.597 E19H-N 115.469 7.287 G20H-N 108.064 7.711 K21H-N 121.906 7.81 Y22H-N 119.097 6.8 E23H-N 118.526 9.102 R24H-N 119.51 7.612 R24HE-NE 84.084 7.111 A25H-N 121.815 8.039 I26H-N 117.475 8.426 E27H-N 122.793 7.775 C28H-N 118.128 7.534 Y29H-N 118.168 8.901 T30H-N 115.746 8.611 R31H-N 122.914 7.768 R31HE-NE 84.442 8.042 G32H-N 107.898 8.826 I33H-N 124.96 8.624 A34H-N 119.923 7.352 A35H-N 118.233 7.235 D36H-N 117.982 7.981 G37H-N 113.48 8.857 A38H-N 121.254 8.29 N39H-N 116.902 6.666 N39HD21-ND2 110.4 7.943 N39HD22-ND2 110.4 6.572 A40H-N 130.264 9.286 L41H-N 114.244 7.71 L42H-N 115.635 7.016 A44H-N 119.105 7.197 N45H-N 121.612 8.481 N45HD21-ND2 109.72 8.229 N45HD22-ND2 109.72 6.164 R46H-N 124.139 8.205 R46HE-NE 84.884 10.9 A47H-N 118.368 8.441 M48H-N 116.051 7.164 A49H-N 121.526 7.922 Y50H-N 116.325 8.837 L51H-N 120.92 8.699 K52H-N 117.766 7.538 I53H-N 110.156 7.107 Q54H-N 112.251 7.351 Q54HE21-NE2 112.055 7.44 Q54HE22-NE2 112.055 6.678 K55H-N 121.199 7.985 Y56H-N 120.219 6.819 E57H-N 121.1 9.166 E58H-N 121.976 9.355 A59H-N 119.928 7.996 E60H-N 119.933 8.583 K61H-N 118.708 7.799 D62H-N 122.231 8.011 C63H-N 117.531 8.38 T64H-N 117.987 8.307 Q65H-N 121.942 7.709 Q65HE21-NE2 110.781 7.344 Q65HE22-NE2 110.781 6.86 A66H-N 121.087 8.201 I67H-N 119.188 8.291 L68H-N 120.432 7.695 L69H-N 118.512 7.362 D70H-N 119.897 8.489 G71H-N 112.153 8.669 S72H-N 113.492 8.386 Y73H-N 123.206 7.375 S74H-N 126.369 8.828 K75H-N 117.531 7.49 A76H-N 118.116 7.157 F77H-N 116.517 7.049 A78H-N 122.114 8.039 R79H-N 118.813 8.318 R79HE-NE 85.367 6.57 R80H-N 124.245 8.226 R80HE-NE 83.028 8.929 G81H-N 108.632 8.867 T82H-N 120.907 7.987 A83H-N 124.137 8.554 R84H-N 114.078 8.968 R84HE-NE 84.782 9.021 T85H-N 116.729 8.161 F86H-N 121.791 7.312 L87H-N 117.175 7.548 G88H-N 107.704 7.722 K89H-N 124.242 8.197 L90H-N 119.414 7.522 N91H-N 119.278 8.777 N91HD21-ND2 113.987 7.065 N91HD22-ND2 113.987 7.788 E92H-N 121.775 8.925 A93H-N 122.294 8.521 K94H-N 116.75 8.112 Q95H-N 116.327 7.326 Q95HE21-NE2 111.861 6.87 Q95HE22-NE2 111.861 7.391 D96H-N 122.508 7.68 F97H-N 118.701 8.397 E98H-N 119.34 8.84 T99H-N 119.443 8.166 V100H-N 121.646 7.894 L101H-N 115.514 7.215 L102H-N 119.785 7.483 L103H-N 119.156 7.749 E104H-N 120.858 9.011 G106H-N 109.177 8.594 N107H-N 119.812 7.862 N107HD21-ND2 115.162 7.996 N107HD22-ND2 115.162 7.139 K108H-N 127.995 8.455 Q109H-N 120.795 8.169 Q109HE21-NE2 113.995 7.635 Q109HE22-NE2 113.995 7.811 A110H-N 122.037 8.645 V111H-N 116.864 7.805 T112H-N 117.578 8.049 E113H-N 121.609 8.306 L114H-N 119.866 8.224 S115H-N 114.59 7.85 K116H-N 120.317 7.443 I117H-N 118.172 7.554 K118H-N 122.697 7.945 K119H-N 121.729 7.971 K120H-N 127.886 7.882 T2H-N 115.766 8.394 S3H-N 118.557 8.529 M5H-N 121.851 8.405 E6H-N 121.73 8.468 E7H-N 122.285 8.45 V8H-N 122.666 8.216 D9H-N 129.219 8.061