Assignment w1 w2 D3H-N 124.476 8.527 Y5H-N 121.226 8.133 F9H-N 126.736 8.719 V11H-N 119.417 7.898 D12H-N 121.652 9.192 I13H-N 118.531 7.766 S14H-N 122.262 8.83 L15H-N 123.913 9.979 T16H-N 113.799 8.769 D17H-N 123.495 8.226 F18H-N 125.082 8.822 I19H-N 118.609 8.325 Q20H-N 119.36 7.673 Q20HE21-NE2 112.839 7.484 Q20HE22-NE2 112.839 6.864 K21H-N 119.476 8.47 Y22H-N 111.826 7.642 S23H-N 116.302 7.621 L25H-N 121.245 6.915 Q26H-N 122.261 9.169 Q26HE21-NE2 114.346 7.595 Q26HE22-NE2 114.346 6.885 G28H-N 115.091 7.357 D29H-N 122.442 8.116 H30H-N 120.662 8.756 L31H-N 128.37 8.72 T32H-N 114.489 7.489 D33H-N 118.243 8.829 I34H-N 121.877 7.309 T35H-N 125.071 8.537 L36H-N 128.793 9.331 K37H-N 121.108 9.548 V38H-N 114.55 8.766 A39H-N 121.358 8.671 G40H-N 103.128 8.238 R41H-N 120.222 8.754 I42H-N 125.819 9.322 H43H-N 133.203 10.148 A44H-N 117.891 7.636 K45H-N 123.765 8.727 R46H-N 127.735 9.004 A47H-N 129.039 8.932 S48H-N 119.836 8.706 L52H-N 121.402 6.969 I53H-N 127.485 8.877 F54H-N 123.185 8.608 Y55H-N 119.49 9.126 D56H-N 125.07 8.379 L57H-N 130.583 8.715 R58H-N 121.875 9.181 G59H-N 111.264 7.748 E60H-N 116.181 9.023 G61H-N 106.939 8.536 V62H-N 116.375 8.299 K63H-N 118.34 7.818 L64H-N 122.566 9.133 Q65H-N 124.75 7.553 Q65HE21-NE2 109.408 7.063 Q65HE22-NE2 109.408 6.389 V66H-N 127.136 9.692 M67H-N 130.695 8.502 A68H-N 127.579 8.713 N69H-N 124.325 8.165 N69HD21-ND2 113.426 7.446 N69HD22-ND2 113.426 6.978 S70H-N 126.316 8.423 R71H-N 118.907 7.885 N72H-N 114.315 7.511 N72HD21-ND2 109.959 7.788 N72HD22-ND2 109.959 7.033 Y73H-N 120.669 7.21 K74H-N 125.025 7.442 S75H-N 108.66 6.937 E76H-N 125.495 9.216 E77H-N 120.077 9.07 E78H-N 118.139 7.958 F79H-N 121.958 8.003 I80H-N 121.813 7.986 H81H-N 117.607 7.426 I82H-N 118.077 8.28 N83H-N 119.679 7.222 N83HD21-ND2 111.026 6.241 N83HD22-ND2 111.026 3.739 N84H-N 116.831 7.57 N84HD21-ND2 113.176 7.687 N84HD22-ND2 113.176 6.86 K85H-N 118.668 7.269 L86H-N 119.059 7.072 R87H-N 122.571 9.231 R88H-N 119.644 8.508 G89H-N 115.866 9.249 D90H-N 122.677 7.904 I91H-N 123.035 8.721 I92H-N 117.592 8.647 G93H-N 107.991 8.894 V94H-N 124.927 9.457 Q95H-N 127.593 8.725 Q95HE21-NE2 113.487 7.498 Q95HE22-NE2 113.487 6.995 G96H-N 115.993 9.726 N97H-N 116.524 8.388 N97HD21-ND2 112.257 8.175 N97HD22-ND2 112.257 6.838 G99H-N 109.168 8.445 K100H-N 118.876 8.673 T101H-N 114.992 8.339 G104H-N 107.378 8.097 E105H-N 119.648 7.422 L106H-N 132.942 9.424 S107H-N 121.54 9.363 I108H-N 118.334 8.553 I109H-N 132.404 9.223 Y111H-N 124.734 9.861 E112H-N 113.341 7.624 I113H-N 130.104 8.924 T114H-N 123.679 9.153 L115H-N 130.119 8.954 L123H-N 125.521 8.249 H125H-N 119.851 8.277 L126H-N 129.484 7.747