Assignment w1 w2 V4H-N 123.774 8.477 V5H-N 126.474 8.393 F6H-N 126.797 8.883 L7H-N 130.099 8.725 S8H-N 115.631 8.116 D9H-N 118.29 8.318 D10H-N 121.66 8.287 Q11H-N 126.131 9.026 Q11HE21-NE2 111.752 7.796 Q11HE22-NE2 111.752 6.843 E12H-N 119.136 8.306 I13H-N 119.899 7.727 I14H-N 120.959 8.086 E15H-N 119.194 8.121 E16H-N 119.136 7.792 V17H-N 120.411 8.392 S18H-N 115.233 8.534 K19H-N 121.809 7.987 K20H-N 120.493 7.794 A21H-N 119.77 8.511 E22H-N 117.677 7.934 E23H-N 119.558 8.185 E24H-N 113.767 7.868 G25H-N 108.123 7.692 Y26H-N 118.211 8.076 D27H-N 123.599 8.819 I28H-N 120.849 7.765 Q29H-N 126.901 8.577 Q29HE21-NE2 111.687 7.637 Q29HE22-NE2 111.687 6.93 T30H-N 115.255 8.75 S31H-N 114.044 8.822 N32H-N 122.434 8.132 N32HD21-ND2 110.225 7.685 N32HD22-ND2 110.225 6.787 D33H-N 122.762 8.672 K34H-N 123.428 8.406 K35H-N 118.569 8.009 E36H-N 120.475 7.554 I37H-N 118.349 7.501 I38H-N 121.911 8.591 D39H-N 119.599 7.849 R40H-N 118.381 8.068 L41H-N 121.053 8.575 K42H-N 121.487 8.34 R43H-N 115.916 7.482 R44H-N 115.504 8.069 N45H-N 113.91 8.024 N45HD21-ND2 110.017 7.588 N45HD22-ND2 110.017 6.926 I46H-N 116.556 7.204 D47H-N 125.47 8.972 M48H-N 119.295 7.817 I49H-N 122.213 9.092 I50H-N 126.911 8.894 V51H-N 125.411 8.574 K52H-N 126.411 8.252 T53H-N 120.527 8.434 E54H-N 124.06 8.445 D55H-N 121.687 8.268 K56H-N 127.275 8.639 E57H-N 119.516 8.378 S58H-N 115.83 7.777 I59H-N 120.077 7.654 S60H-N 114.178 7.933 E61H-N 120.392 7.772 I62H-N 118.61 8.117 I63H-N 119.241 8.575 K64H-N 117.22 7.673 Q65H-N 114.597 7.404 Q65HE21-NE2 114.091 7.675 Q65HE22-NE2 114.091 7.07 V66H-N 120.063 8.655 L67H-N 121.13 8.316 D68H-N 118.349 7.809 S69H-N 112.915 7.932 G70H-N 110.368 8.171 A71H-N 122.165 7.564 K72H-N 119.55 7.831 V73H-N 121.224 8.403 L74H-N 127.786 7.934 I75H-N 125.496 8.688 L76H-N 126.349 9.303 S77H-N 110.744 7.383 S78H-N 123.489 10.445 D79H-N 121.905 7.88 E80H-N 127.224 9.348 N81H-N 117.62 8.684 N81HD21-ND2 115.148 7.072 N81HD22-ND2 115.148 8.035 I82H-N 122.564 7.643 I83H-N 118.23 7.306 E84H-N 117.379 8.16 S85H-N 114.134 7.786 I86H-N 122.99 8.247 R87H-N 118.724 8.153 R87HE-NE 83.361 7.167 K88H-N 114.597 7.436 Q89H-N 116.894 7.701 Q89HE21-NE2 110.363 7.095 Q89HE22-NE2 110.363 6.701 Y90H-N 116.864 8.787 K92H-N 114.684 8.352 V93H-N 121.254 7.758 E94H-N 127.911 8.243 T95H-N 115.873 8.238 R96H-N 121.684 8.37 R96HE-NE 84.07 7.416 R97H-N 125.251 8.757 A98H-N 129.536 7.921 Q99H-N 120.61 9.535 Q99HE21-NE2 112.292 6.869 Q99HE22-NE2 112.292 7.875 D100H-N 115.767 7.594 K101H-N 116.693 8.857 E102H-N 121.254 8.11 E103H-N 118.801 8.274 V104H-N 117.96 7.933 K105H-N 118.79 7.963 D106H-N 118.293 8.2 A107H-N 122.064 7.751 V108H-N 117.788 8.31 E109H-N 117.849 8.039 E110H-N 117.728 7.939 F111H-N 119.474 8.077 L112H-N 116.972 8.143 K113H-N 120.009 8.047 E114H-N 118.059 7.949 G115H-N 107.774 7.926 G116H-N 107.849 8.146 S117H-N 114.221 7.706 L118H-N 122.599 8.453 E119H-N 120.724 8.487 H120H-N 119.27 8.342 H121H-N 125.5 8.13