Assignment w1 w2 N9H-N 120.071 8.442 N10H-N 119.859 8.27 A12H-N 122.487 8.014 A13H-N 122.122 7.88 N14H-N 117.09 8.064 W15H-N 120.432 7.752 L16H-N 122.578 7.734 H17H-N 118.429 7.958 A18H-N 125.454 8.11 R19H-N 125.486 7.856 R22H-N 124.25 8.385 K23H-N 123.561 8.311 K24H-N 120.732 7.853 Y28H-N 117.132 7.497 T29H-N 114.833 9.144 K30H-N 123.076 8.928 H31H-N 116.906 8.462 Q32H-N 115.802 7.734 T33H-N 113.252 8.415 L34H-N 121.189 8.057 E35H-N 118.025 7.618 L36H-N 124.109 8.228 E37H-N 118.947 7.854 K38H-N 118.698 7.475 E39H-N 120.122 7.776 F40H-N 121.88 8.799 L41H-N 115.508 7.802 F42H-N 119.19 7.494 N43H-N 116.49 8.335 N43HD21-ND2 116.059 7.312 N43HD22-ND2 116.059 7.312 M44H-N 120.988 8.092 Y45H-N 115.035 7.644 L46H-N 122.15 8.202 T47H-N 113.114 7.689 R48H-N 122.089 8.868 D49H-N 116.418 8.351 R50H-N 121.066 7.741 R51H-N 119.936 8.591 Y52H-N 117.23 7.798 E53H-N 120.028 7.66 V54H-N 120.315 8.693 A55H-N 120.689 8.016 R56H-N 116.474 7.653 L57H-N 120.036 8.19 L58H-N 114.112 7.731 N59H-N 118.219 7.901 L60H-N 118.812 8.367 T61H-N 109.191 8.633 E62H-N 121.094 9.109 R63H-N 119.178 8.103 Q64H-N 117.52 7.933 V65H-N 121.174 7.898 K66H-N 121.222 8.441 I67H-N 119.501 8.638 W68H-N 122.168 8.015 F69H-N 119.457 8.792 Q70H-N 118.611 8.138 N71H-N 118.108 8.229 R72H-N 122.955 8.028 R73H-N 117.77 7.827 M74H-N 117.695 7.438 K75H-N 122.11 8.069 K77H-N 118.29 7.324 K78H-N 118.03 7.447 I79H-N 121.602 8.042 N80H-N 123.257 8.376 K81H-N 126.691 7.802