Assignment w1 w2 S2H-N 115.515 8.649 H3H-N 120.851 8.743 M4H-N 122.358 8.605 K9H-N 123.219 8.468 I10H-N 123.458 7.958 K11H-N 127.992 8.67 Y12H-N 118.118 7.882 D13H-N 120.6 8.808 W14H-N 116.979 8.827 W14HE1-NE1 130.407 10.244 Y15H-N 116.802 9.172 Q16H-N 115.693 8.96 T17H-N 113.182 9.194 E18H-N 119.039 9.074 S19H-N 107.068 7.926 Q20H-N 119.716 7.686 Q20HE21-NE2 111.658 6.772 Q20HE22-NE2 111.658 7.332 V21H-N 122.318 8.766 V22H-N 128.27 8.971 I23H-N 128.542 9.54 T24H-N 122.634 9.278 L25H-N 125.104 9.378 M26H-N 125.828 8.74 I27H-N 124.36 7.482 K28H-N 124.176 8.092 N29H-N 114.236 8.487 N29HD21-ND2 112.242 6.903 N29HD22-ND2 112.242 7.623 V30H-N 118.885 8.408 Q31H-N 123.343 8.679 Q31HE21-NE2 113.054 6.851 Q31HE22-NE2 113.054 7.529 K32H-N 122.409 8.753 N33H-N 113.237 8.489 D34H-N 118.981 7.977 V35H-N 118.166 7.32 N36H-N 124.648 8.674 N36HD21-ND2 112.066 6.91 N36HD22-ND2 112.066 7.456 V37H-N 124.616 7.681 E38H-N 125.739 8.678 F39H-N 122.814 8.875 S40H-N 118.247 8.704 E41H-N 117.939 8.708 K42H-N 110.216 8.135 E43H-N 119.601 7.423 L44H-N 121.953 8.393 S45H-N 118.402 8.262 A46H-N 127.314 9.304 L47H-N 126.06 8.794 V48H-N 125.632 9.098 K49H-N 127.945 8.501 L50H-N 123.828 8.537 S52H-N 108.57 7.404 G53H-N 110.507 8.326 E54H-N 120.886 7.775 D55H-N 119.454 8.296 Y56H-N 122.247 9.17 N57H-N 123.478 8.182 N57HD21-ND2 111.314 6.733 N57HD22-ND2 111.314 7.162 L58H-N 125.255 8.577 K59H-N 128.341 8.438 L60H-N 124.913 8.812 E61H-N 124.12 9.03 L62H-N 123.974 7.855 L63H-N 120.29 7.713 H64H-N 110.42 5.94 I66H-N 111.274 8.758 I67H-N 118.541 8.274 E69H-N 115.293 9.635 Q70H-N 115.18 6.845 Q70HE21-NE2 112.138 6.872 Q70HE22-NE2 112.138 7.704 S71H-N 119.238 7.311 T72H-N 113.752 8.815 F73H-N 115.731 8.569 K74H-N 120.841 9.192 V75H-N 125.868 9.128 L76H-N 129.347 8.649 S77H-N 114.831 8.76 T78H-N 105.365 7.518 K79H-N 114.053 7.145 I80H-N 117.628 8.592 E81H-N 127.187 9.047 I82H-N 130.005 9.919 K83H-N 126.676 9.308 L84H-N 123.402 9.64 K85H-N 123.994 7.712 K86H-N 127.167 8.414 E88H-N 113.037 6.938 A89H-N 127.973 8.759 V90H-N 122.894 7.741 R91H-N 128.956 8.964 R91HE-NE 84.738 7.323 W92H-N 131.904 10.399 W92HE1-NE1 128.44 10.932 E93H-N 124.575 9.641 K94H-N 114.102 7.827 L95H-N 118.335 7.799 E96H-N 113.421 7.634 G97H-N 106.423 8.057 Q98H-N 119.064 8.204 Q98HE21-NE2 112.003 6.819 Q98HE22-NE2 112.003 7.582 G99H-N 110.176 8.383 D100H-N 120.124 8.284 V101H-N 121.502 8.158 T103H-N 117.343 8.255 K105H-N 121.49 8.342 Q106H-N 120.951 8.279 Q106HE21-NE2 112.181 6.88 Q106HE22-NE2 112.181 7.464 F107H-N 121.903 8.314 V108H-N 123.115 7.977 A109H-N 127.777 8.258 D110H-N 119.998 8.28 V111H-N 120.467 8.032 K112H-N 124.295 8.362 N113H-N 120.032 8.352 N113HD21-ND2 112.497 6.868 N113HD22-ND2 112.497 7.623 L114H-N 127.711 7.798