Assignment w1 w2 A3H-N 124.747 8.478 M4H-N 118.391 8.218 L5H-N 122.148 7.985 R6H-N 120.823 8.103 R7H-N 120.972 8.098 L8H-N 122.321 8.043 F9H-N 120.58 8.021 K10H-N 122.704 8.022 K11H-N 122.747 8.076 K12H-N 122.45 7.97 Y13H-N 121.038 7.699 V14H-N 121.417 6.667 V16H-N 131.645 8.422 R17H-N 124.825 8.257 Q18H-N 117.495 7.774 Q18HE21-NE2 105.063 6.403 Q18HE22-NE2 105.063 7.038 D20H-N 118.247 7.945 L21H-N 122.102 8.429 T22H-N 107.688 8.227 D23H-N 121.219 7.905 A24H-N 122.398 7.463 G25H-N 105.702 9.423 A26H-N 124.887 9.249 A27H-N 121.606 9.328 C28H-N 119.543 8.38 L29H-N 119.296 8.031 S30H-N 113.817 8.847 S31H-N 115.943 8.201 I32H-N 120.369 7.426 A33H-N 121.941 8.983 Q34H-N 116.954 8.631 Q34HE21-NE2 111.076 6.765 Q34HE22-NE2 111.076 7.093 Y35H-N 125.963 8.82 Y36H-N 114.816 7.787 G37H-N 106.802 7.981 L38H-N 124.007 8.695 K39H-N 125.681 8.587 M40H-N 124.09 8.113 S41H-N 119.629 8.52 L42H-N 124.92 8.76 A43H-N 119.537 8.411 K44H-N 119.122 7.689 I45H-N 119.776 7.915 R46H-N 124.698 9.339 E47H-N 118.203 7.32 M48H-N 119.154 8.442 T49H-N 104.289 7.827 G50H-N 110.661 7.782 T51H-N 115.662 7.882 D52H-N 130.749 8.854 T53H-N 109.009 7.715 Q54H-N 119.225 8.665 Q54HE21-NE2 112.568 6.759 Q54HE22-NE2 112.568 7.505 G55H-N 108.768 8.279 T56H-N 115.271 8.362 N57H-N 116.427 8.997 N57HD21-ND2 117.03 7.033 N57HD22-ND2 117.03 7.809 A58H-N 119.989 8.822 Y59H-N 118.451 7.539 G60H-N 109.317 8.433 L61H-N 119.435 8.08 I62H-N 119.48 8.207 H63H-N 119.795 8.15 A64H-N 120.137 7.835 A65H-N 119.516 8.499 K66H-N 118.325 8.472 Q67H-N 120.27 7.481 Q67HE21-NE2 111.523 6.839 Q67HE22-NE2 111.523 6.913 L68H-N 117.572 7.611 G69H-N 103.331 7.579 F70H-N 118.163 8.169 S71H-N 116.562 8.854 A72H-N 127.375 8.216 K73H-N 118.275 8.76 G74H-N 110.121 8.999 V75H-N 116.116 9.083 K76H-N 119.547 8.374 A77H-N 133.812 9.435 S78H-N 115.476 9.484 K79H-N 121.135 8.931 E80H-N 115.984 8.476 D81H-N 119.98 7.889 L82H-N 114.003 7.375 L83H-N 113.893 6.927 K84H-N 120.508 7.554 D85H-N 120.249 8.438 F86H-N 119.776 7.342 R87H-N 121.224 8.56 R87HE-NE 81.862 7.307 L88H-N 126.955 8.047 A90H-N 122.653 7.976 I91H-N 119.733 8.655 A92H-N 128.06 9.768 N93H-N 121.408 7.965 N93HD21-ND2 109.679 5.698 N93HD22-ND2 109.679 6.831 V94H-N 119.226 8.562 I95H-N 120.712 8.742 V96H-N 127.13 9.296 D97H-N 126.584 9.137 N98H-N 111.234 8.906 N98HD21-ND2 113.035 6.833 N98HD22-ND2 113.035 7.516 R99H-N 114.613 7.964 A101H-N 128.576 8.431 H102H-N 125.675 9.398 F103H-N 122.998 6.349 V104H-N 106.692 8.344 V105H-N 120.401 8.69 I106H-N 124.202 8.898 Y107H-N 124.748 8.566 S108H-N 109.901 7.15 I109H-N 126.037 8.474 K110H-N 125.946 8.343 R112H-N 106.735 8.939 I113H-N 120.542 7.902 I114H-N 131.173 9.706 T115H-N 124.86 8.938 V116H-N 126.587 9.402 A117H-N 124.676 9.518 D118H-N 125.62 8.861 G120H-N 105.495 9.111 K121H-N 118.108 7.963 G122H-N 109.063 9.129 I123H-N 122.323 8.484 V124H-N 128.867 9.428 R125H-N 122.976 8.319 Y126H-N 122.032 9.203 S127H-N 117.615 9.482 M128H-N 122.415 8.377 D129H-N 118.047 8.786 D130H-N 121.195 7.934 F131H-N 121.362 8.852 C132H-N 115.45 8.62 S133H-N 113.304 7.534 I134H-N 111.505 6.934 W135H-N 125.014 7.594 W135HE1-NE1 126.701 9.44 T136H-N 118.126 8.288 G137H-N 107.122 5.174 G138H-N 106.013 7.74 L139H-N 128.249 9.172 V140H-N 121.637 9.411 L141H-N 127.429 8.806 L142H-N 120.993 9.17 E143H-N 118.92 8.741 G145H-N 111.198 7.565 E146H-N 120.445 8.66 A147H-N 120.544 8.51 F148H-N 119.615 7.474 Q149H-N 123.01 7.968 Q149HE21-NE2 112.543 6.757 Q149HE22-NE2 112.543 7.39 K150H-N 122.076 8.081 G151H-N 115.871 8.008