Assignment w1 w2 K2H-N 122.127 8.331 I3H-N 128.747 8.247 T4H-N 119.777 7.773 F5H-N 125.71 8.76 Y6H-N 117.374 8.531 E7H-N 119.418 8.591 D8H-N 114.953 7.876 R9H-N 117.792 8.49 A10H-N 118.234 8.917 F11H-N 112.173 7.978 Q12H-N 117.236 6.24 Q12HE21-NE2 112.963 6.805 Q12HE22-NE2 112.963 7.091 G13H-N 105.046 8.214 R14H-N 119.731 8.527 S15H-N 115.598 8.137 Y16H-N 120.649 8.464 E17H-N 128.116 7.423 T18H-N 114.523 8.388 T19H-N 113.484 7.931 T20H-N 114.873 8.31 D21H-N 120.008 7.883 C22H-N 121.506 9.225 N24H-N 116.003 7.527 N24HD21-ND2 109.724 6.844 N24HD22-ND2 109.724 7.359 L25H-N 125.97 8.357 Q26H-N 118.464 7.436 Q26HE21-NE2 110.915 7.397 Q26HE22-NE2 110.915 6.798 Y28H-N 115.268 7.012 F29H-N 111.514 6.92 S30H-N 114.281 9.549 R31H-N 119.813 8.016 C32H-N 120.485 9.567 N33H-N 121.555 8.251 S34H-N 108.417 8.209 I35H-N 118.035 8.849 R36H-N 124.761 8.896 V37H-N 128.207 9.391 E38H-N 130.137 8.118 S39H-N 106.875 7.853 G40H-N 111.403 8.528 C41H-N 115.306 8.019 W42H-N 123.814 8.98 W42HE1-NE1 125.104 9.048 M43H-N 123.54 9.433 L44H-N 126.955 9.548 Y45H-N 115.206 8.265 E46H-N 122.953 9.028 R47H-N 112.069 7.951 N49H-N 113.491 9.837 Y50H-N 112.579 7.675 Q51H-N 115.858 6.044 Q51HE21-NE2 113.159 7.126 Q51HE22-NE2 113.159 6.884 G52H-N 105.421 8.497 Q53H-N 119.818 8.507 Q53HE21-NE2 110.383 7.657 Q53HE22-NE2 110.383 6.466 Q54H-N 118.815 7.181 Q54HE21-NE2 110.374 7.902 Q54HE22-NE2 110.374 7.822 Y55H-N 115.501 8.502 L56H-N 126.069 8.823 L57H-N 132.586 9.859 R58H-N 119.031 7.43 R59H-N 121.032 8.599 G60H-N 111.985 8.547 E61H-N 117.454 8.234 Y62H-N 119.189 9.069 D64H-N 115.292 7.023 Q66H-N 122.747 8.027 Q66HE21-NE2 110.851 7.147 Q66HE22-NE2 110.851 6.449 Q67H-N 117.755 7.809 Q67HE21-NE2 114.046 7.931 Q67HE22-NE2 114.046 6.802 W68H-N 115.898 7.038 W68HE1-NE1 130.479 9.783 M69H-N 118.972 7.87 G70H-N 105.512 7.484 L71H-N 118.449 7.166 S72H-N 111.436 7.107 D73H-N 115.295 7.771 S74H-N 112.168 7.381 I75H-N 129.114 8.263 R76H-N 121.111 8.653 S77H-N 111.489 8.165 C78H-N 111.749 9.223 C79H-N 118.095 9.909 L80H-N 127.626 8.743 I81H-N 133.071 8.776 Q83H-N 121.24 8.247 Q83HE21-NE2 112.921 6.635 Q83HE22-NE2 112.921 7.572 T84H-N 114.798 8.18 V85H-N 116.445 8.162 S86H-N 113.982 7.34 H87H-N 118.805 8.008 R88H-N 121.806 9.384 L89H-N 126.004 9.265 R90H-N 120.608 8.687 L91H-N 122.641 8.911 Y92H-N 116.192 7.674 E93H-N 119.863 8.449 R94H-N 111.978 7.744 E95H-N 118.961 8.781 D96H-N 114.957 9.327 H97H-N 109.266 8.018 K98H-N 117.436 6.251 G99H-N 104.699 8.269 L100H-N 121.705 8.565 M101H-N 122.255 7.727 M102H-N 125.885 8.397 E103H-N 122.885 8.439 L104H-N 123.977 8.719 S105H-N 117.894 9.052 E106H-N 118.663 7.375 D107H-N 116.059 8.203 C108H-N 120.861 9.441 S110H-N 110.988 7.316 I111H-N 133.782 8.376 Q112H-N 123.034 8.62 Q112HE21-NE2 111.11 7.442 Q112HE22-NE2 111.11 6.707 D113H-N 118.017 7.963 R114H-N 114.953 7.127 F115H-N 113.516 8.147 H116H-N 114.057 7.675 L117H-N 115.813 6.607 S118H-N 113.51 8.717 E119H-N 119.024 7.356 I120H-N 120.774 8.131 R121H-N 119.481 7.174 S122H-N 106.541 7.835 L123H-N 115.004 9.137 H124H-N 125.29 9.862 V125H-N 128.949 8.499 L126H-N 129.274 7.811 E127H-N 116.797 8.376 G128H-N 113.194 8.798 C129H-N 110.582 7.448 W130H-N 122.065 8.977 W130HE1-NE1 124.242 8.631 V131H-N 119.431 9.431 L132H-N 130.317 8.777 Y133H-N 123.184 8.956 E134H-N 124.153 9.405 L135H-N 112.173 7.949 N137H-N 112.737 9.586 Y138H-N 112.587 7.721 R139H-N 116.614 6.11 G140H-N 105.661 8.369 R141H-N 120.019 8.542 Q142H-N 118.817 7.389 Y143H-N 115.945 8.497 L144H-N 127.057 9.222 L145H-N 127.895 9.72 R146H-N 122.462 8.457 Q148H-N 124.459 8.448 Q148HE21-NE2 110.608 6.687 Q148HE22-NE2 110.608 6.209 E149H-N 118.447 8.554 Y150H-N 119.881 8.756 R151H-N 125.85 9.324 R152H-N 112.365 7.761 C153H-N 121.184 9.047 Q154H-N 121.825 7.919 Q154HE21-NE2 109.598 7.197 Q154HE22-NE2 109.598 6.329 D155H-N 119.527 8.133 W156H-N 115.628 7.275 W156HE1-NE1 131.815 9.674 G157H-N 106.916 7.392 A158H-N 123.509 6.704 M159H-N 116.215 8.498 D160H-N 117.113 7.56 A161H-N 120.619 8.182 K162H-N 120.02 7.801 A163H-N 125.304 7.522 G164H-N 108.6 8.966 S165H-N 113.496 8.304 L166H-N 121.374 8.89 R167H-N 122.667 9.391 R168H-N 125.991 8.623 V169H-N 123.115 8.326 V170H-N 125.933 7.162 D171H-N 124.831 8.291 L172H-N 122.902 7.861 Y173H-N 126.022 7.566