Assignment w1 w2 D3H-N 122.582 8.477 I4H-N 119.182 8.182 Y5H-N 120.749 7.603 K6H-N 120.766 7.891 A7H-N 120.343 7.917 A8H-N 119.752 7.479 V9H-N 118.874 8.012 E10H-N 118.561 7.797 Q11H-N 114.84 7.367 Q11HE21-NE2 111.673 6.754 L12H-N 120.626 7.351 T13H-N 113.659 8.851 E14H-N 121.626 8.95 E15H-N 117.65 8.533 Q16H-N 119.178 7.793 K17H-N 118.595 8.51 N18H-N 117.733 8.506 N18HD21-ND2 111.683 7.56 N18HD22-ND2 111.683 6.955 E19H-N 123.233 8.009 F20H-N 117.576 8.403 K21H-N 122.559 8.876 A22H-N 121.306 7.81 A23H-N 118.979 7.912 F24H-N 120.924 8.864 D25H-N 116.577 8.561 I26H-N 119.169 7.277 F27H-N 122.203 8.126 V28H-N 106.994 7.51 L29H-N 125.426 7.274 G30H-N 111.857 8.747 A31H-N 124.07 7.95 E32H-N 124.292 9.044 D33H-N 115.87 8.139 G34H-N 105.709 7.628 S35H-N 113.153 7.584 I36H-N 119.142 8.73 T38H-N 112.122 8.768 K39H-N 122.795 8.015 E40H-N 119.224 7.685 L41H-N 119.174 8.227 G42H-N 105.915 8.491 K43H-N 120.881 7.307 V44H-N 119.401 7.539 M45H-N 116.712 8.377 R46H-N 118.752 8.061 M47H-N 122.111 7.858 L48H-N 117.552 7.515 G49H-N 107.258 7.849 Q50H-N 118.223 8.003 Q50HE21-NE2 111.695 7.246 Q50HE22-NE2 111.695 6.766 N51H-N 116.68 8.64 N51HD21-ND2 111.912 7.453 N51HD22-ND2 111.912 6.697 T53H-N 113.857 8.87 E55H-N 117.123 8.714 E56H-N 121.37 7.753 L57H-N 118.929 8.155 Q58H-N 117.761 7.976 Q58HE21-NE2 114.427 6.569 Q58HE22-NE2 114.427 7.919 E59H-N 118.924 7.866 M60H-N 117.407 7.671 I61H-N 118.186 7.365 D62H-N 119.28 8.64 E63H-N 115.698 7.535 E66H-N 127.984 8.583 D67H-N 114.528 8.002 G68H-N 108.822 7.74 S69H-N 116.288 8.452 G70H-N 116.293 10.78 T71H-N 107.66 7.657 V72H-N 127.147 9.723 D73H-N 128.722 8.824 F74H-N 118.362 8.572 D75H-N 117.426 7.657 E76H-N 120.233 8.182 F77H-N 122.996 8.96 L78H-N 118.643 7.944 V79H-N 118.026 6.945 M80H-N 119.968 7.922 M81H-N 117.292 8.089 V82H-N 118.235 8.229 R83H-N 120.282 8.234 S84H-N 113.31 7.54 M85H-N 120.514 7.782 K86H-N 119.978 7.882 D87H-N 121.592 8.201 D88H-N 121.813 8.265 S89H-N 115.909 8.227 K90H-N 122.664 8.132 G91H-N 109.27 8.338 K92H-N 120.853 8.297 S93H-N 117.097 8.601 E94H-N 122.298 8.708 E95H-N 119.788 8.468 E96H-N 120.461 8.141 L97H-N 119.834 8.421 S98H-N 115.481 8.502 D99H-N 121.684 7.659 L100H-N 118.203 8.121 F101H-N 120.182 8.652 R102H-N 115.497 7.518 M103H-N 114.285 7.595 F104H-N 115.115 7.358 D105H-N 116.701 7.297 K106H-N 124.209 7.516 N107H-N 113.548 8.04 A108H-N 121.192 7.797 D109H-N 118.259 8.531 G110H-N 111.944 10.364 Y111H-N 115.595 8.003 I112H-N 125.66 9.832 D113H-N 128.29 9.02 L114H-N 118.688 8.499 D115H-N 118.146 7.908 E116H-N 121.323 8.605 L117H-N 121.083 8.562 K118H-N 118.726 8.581 I119H-N 119.149 8.162 M120H-N 119.334 7.505 L121H-N 117.699 8.457 Q122H-N 120.671 8.804 A123H-N 121.218 7.584 T124H-N 106.617 7.488 G125H-N 108.144 7.676 E126H-N 120.123 7.519 T127H-N 119.711 8.605 I128H-N 128.171 8.274 T129H-N 119.247 9.622 E130H-N 119.821 8.895 D131H-N 117.421 7.831 D132H-N 119.591 7.543 I133H-N 116.44 7.176 E134H-N 117.764 8.167 E135H-N 116.485 8.428 L136H-N 120.7 8.074 M137H-N 117.994 8.173 K138H-N 117.365 8.065 D139H-N 117.259 7.653 G140H-N 101.711 7.9 D141H-N 120.437 8.501 K142H-N 125.787 7.79 N143H-N 113.617 8.127 N143HD21-ND2 112.536 7.856 N143HD22-ND2 112.536 6.579 N144H-N 115.678 7.743 N144HD21-ND2 111.744 7.399 N144HD22-ND2 111.744 6.662 D145H-N 118.296 8.678 G146H-N 112.697 10.287 R147H-N 115.518 7.693 I148H-N 126.007 9.415 D149H-N 129.221 9.395 Y150H-N 118.645 8.408 D151H-N 117.95 7.731 E152H-N 120.297 8.857 F153H-N 124.959 9.276 L154H-N 117.557 7.841 E155H-N 116.176 6.926 F156H-N 122.168 8.578 M157H-N 111.893 7.457 K158H-N 123.442 7.15 G159H-N 112.71 8.729 V160H-N 120.788 7.427 E161H-N 129.478 7.819