Assignment w1 w2 A9H-N 125.477 8.495 D10H-N 116.624 8.16 Q11H-N 119.908 7.906 Q11HE21-NE2 112.349 7.478 Q11HE22-NE2 112.349 6.828 I12H-N 122.205 8.05 R13H-N 118.973 8.267 R13HE-NE 86.861 9.573 Q14H-N 116.59 7.853 Q14HE21-NE2 112.373 7.372 Q14HE22-NE2 112.373 6.848 S15H-N 116.099 8.0 V16H-N 125.342 8.257 R17H-N 118.194 7.933 H18H-N 117.955 8.484 S19H-N 115.58 8.498 L20H-N 120.993 8.477 K21H-N 120.105 7.843 D22H-N 118.189 8.31 I23H-N 118.965 8.098 L24H-N 121.718 7.989 M25H-N 116.33 8.581 K26H-N 122.455 8.156 R27H-N 115.329 8.029 R27HE-NE 81.762 7.257 L28H-N 120.342 8.375 T29H-N 116.592 8.182 D30H-N 122.196 8.098 S31H-N 112.519 7.631 L33H-N 119.577 8.191 K34H-N 124.075 8.67 V35H-N 122.791 7.36 E37H-N 124.543 8.908 E38H-N 116.549 9.037 K39H-N 119.35 7.643 A40H-N 120.528 7.557 A41H-N 118.09 8.172 K42H-N 119.451 7.913 V43H-N 120.432 8.516 A44H-N 122.472 8.129 T45H-N 113.424 8.032 K46H-N 123.824 8.17 I47H-N 118.971 8.901 E48H-N 118.807 7.993 K49H-N 117.96 8.225 E50H-N 119.954 8.239 L51H-N 122.725 8.605 F52H-N 119.507 9.178 S53H-N 113.937 8.764 F54H-N 119.54 8.012 F55H-N 114.633 7.891 R56H-N 114.079 8.556 D57H-N 114.836 7.367 T58H-N 112.365 8.459 D59H-N 120.689 7.511 A60H-N 119.288 8.299 K61H-N 117.188 7.444 Y62H-N 124.295 7.796 K63H-N 118.068 8.502 N64H-N 118.404 8.573 N64HD21-ND2 112.751 6.965 N64HD22-ND2 112.751 7.669 K65H-N 121.8 7.992 Y66H-N 120.36 8.435 R67H-N 119.195 8.318 S68H-N 115.424 7.738 L69H-N 122.233 8.442 M70H-N 117.036 8.599 F71H-N 117.806 8.254 N72H-N 114.743 7.55 N72HD21-ND2 116.764 7.572 N72HD22-ND2 116.764 7.572 L73H-N 118.515 8.402 K74H-N 117.14 8.042 D75H-N 118.908 6.866 K77H-N 115.215 8.188 N78H-N 118.73 8.042 N78HD21-ND2 113.136 7.131 N78HD22-ND2 113.136 8.266 N79H-N 124.744 9.12 N79HD21-ND2 112.638 6.806 N79HD22-ND2 112.638 7.534 I80H-N 117.33 8.293 L81H-N 123.464 8.394 F82H-N 113.081 8.534 K83H-N 120.424 5.534 K84H-N 117.548 7.764 V85H-N 118.174 8.173 L86H-N 120.499 8.044 K87H-N 113.855 8.02 G88H-N 106.713 7.529 E89H-N 119.075 7.989 V90H-N 116.194 6.811 T91H-N 118.624 8.704 D93H-N 111.23 8.639 H94H-N 120.399 7.343 L95H-N 118.795 8.279 I96H-N 109.097 7.172 R97H-N 117.364 7.07 M98H-N 121.413 7.232 S99H-N 119.907 9.067 E101H-N 116.702 8.587 E102H-N 120.937 7.702 L103H-N 119.073 8.145 A104H-N 116.582 7.07 S105H-N 113.046 7.346 K106H-N 124.047 8.679 E107H-N 119.832 8.138 L108H-N 123.847 8.258 A109H-N 122.635 8.339 A110H-N 121.256 7.942 W111H-N 118.857 7.786 W111HE1-NE1 129.564 10.113 R112H-N 121.85 7.752 R113H-N 121.161 7.956 R114H-N 122.216 8.232