Assignment w1 w2 D8H-N 120.774 8.19 A9H-N 123.928 8.177 A10H-N 123.12 8.2 V11H-N 119.612 8.015 T12H-N 117.689 8.467 E14H-N 118.957 8.559 E15H-N 119.699 7.793 R16H-N 120.756 8.376 H17H-N 120.134 8.21 L18H-N 118.713 8.427 S19H-N 112.28 8.107 K20H-N 121.959 7.719 M21H-N 118.389 8.132 Q22H-N 116.09 8.128 Q22HE21-NE2 114.396 8.24 Q22HE22-NE2 114.396 6.176 Q23H-N 117.158 8.198 Q23HE21-NE2 111.687 7.425 Q23HE22-NE2 111.687 6.82 N24H-N 113.541 8.277 N24HD21-ND2 112.747 7.04 N24HD22-ND2 112.747 7.621 G25H-N 109.989 7.851 Y26H-N 120.798 8.039 E27H-N 128.342 8.274 N28H-N 122.253 7.081 N28HD21-ND2 115.349 6.236 N28HD22-ND2 115.349 9.307 T30H-N 114.217 8.004 Y31H-N 122.455 6.808 K32H-N 121.964 7.741 F34H-N 119.615 7.781 E35H-N 121.508 8.185 Q36H-N 118.737 7.926 Q36HE21-NE2 112.161 6.828 Q36HE22-NE2 112.161 7.515 M37H-N 119.794 8.008 Q38H-N 119.911 8.177 Q38HE21-NE2 112.537 7.427 Q38HE22-NE2 112.537 6.831 N39H-N 118.748 8.297 N39HD21-ND2 113.244 6.906 N39HD22-ND2 113.244 7.609 S40H-N 115.8 8.253 G41H-N 110.527 8.242 S43H-N 116.113 8.5 G45H-N 110.617 8.403 I46H-N 119.589 7.98 E47H-N 124.524 8.603 G48H-N 109.903 8.405 R49H-N 120.437 8.192 G50H-N 109.932 8.497 G62H-N 110.667 8.2 T64H-N 117.62 8.33 K66H-N 122.205 8.478 T67H-N 115.603 8.201 E68H-N 123.291 8.499 L69H-N 123.364 8.099 V70H-N 123.503 8.168 Q71H-N 125.445 8.277 Q71HE21-NE2 111.696 6.934 Q71HE22-NE2 111.696 7.494 K72H-N 122.699 7.757 F73H-N 122.265 8.921 R74H-N 126.691 8.869 R74HE-NE 85.51 7.818 V75H-N 120.485 8.885 Q76H-N 116.428 9.098 Q76HE21-NE2 112.889 8.053 Q76HE22-NE2 112.889 6.635 Y77H-N 123.671 8.854 L78H-N 129.87 8.352 G79H-N 103.249 5.496 M80H-N 116.973 7.564 L81H-N 125.862 8.56 V83H-N 112.877 8.018 D84H-N 116.941 8.487 R85H-N 116.748 7.067 R85HE-NE 85.598 7.269 V87H-N 106.773 6.272 G88H-N 105.702 3.391 M89H-N 125.175 8.946 D90H-N 120.197 8.951 T91H-N 119.888 7.487 L92H-N 122.185 7.94 N93H-N 114.782 9.104 N93HD21-ND2 112.385 7.684 N93HD22-ND2 112.385 7.247 S94H-N 114.867 7.741 A95H-N 124.163 7.202 I96H-N 116.77 8.204 E97H-N 116.168 8.467 N98H-N 118.656 7.831 N98HD21-ND2 111.687 6.769 N98HD22-ND2 111.687 7.277 L99H-N 119.754 7.936 M100H-N 118.398 8.593 T101H-N 108.37 7.765 S102H-N 115.335 7.743 S103H-N 114.45 7.731 S104H-N 115.047 8.587 K105H-N 123.315 7.63 E106H-N 115.347 7.925 D107H-N 117.37 7.756 W108H-N 123.771 7.011 W108HE1-NE1 129.58 9.865 S110H-N 117.47 8.731 V111H-N 118.746 9.423 N112H-N 117.627 9.09 N112HD21-ND2 112.853 7.36 N112HD22-ND2 112.853 6.993 M113H-N 124.819 9.593 N114H-N 127.024 9.439 N114HD21-ND2 109.472 6.864 N114HD22-ND2 109.472 6.598 V115H-N 124.928 9.134 A116H-N 128.714 8.458 D117H-N 120.573 9.196 A118H-N 118.659 9.118 T119H-N 114.812 7.838 V120H-N 126.816 8.818 T121H-N 122.555 9.009 V122H-N 126.709 9.128 I123H-N 128.074 9.097 S124H-N 120.235 8.45 E125H-N 124.502 8.336 K126H-N 117.187 8.105 N127H-N 116.252 7.47 N127HD21-ND2 112.51 7.012 N127HD22-ND2 112.51 7.715 E128H-N 121.351 8.668 E129H-N 115.563 8.034 E130H-N 122.53 7.964 V131H-N 127.113 8.304 L132H-N 129.773 9.055 V133H-N 115.079 7.352 E134H-N 127.901 8.702 C135H-N 126.909 9.306 R136H-N 130.498 9.229 V137H-N 122.547 8.59 R138H-N 118.322 8.064 F139H-N 115.578 8.199 L140H-N 125.637 7.809 S141H-N 120.685 8.949 F142H-N 124.497 7.691 M143H-N 121.83 7.613 G144H-N 103.082 8.126 V145H-N 119.165 6.868 G146H-N 110.902 7.519 K147H-N 117.749 8.092 D148H-N 116.59 8.418 V149H-N 121.365 8.427 H150H-N 117.203 9.003 T151H-N 109.487 8.476 F152H-N 121.395 8.735 A153H-N 127.533 7.992 F154H-N 111.376 8.028 I155H-N 121.178 9.279 M156H-N 123.763 9.505 D157H-N 124.498 9.439 T158H-N 116.317 8.501 G159H-N 113.053 8.96 N160H-N 118.182 8.771 N160HD21-ND2 112.973 6.851 N160HD22-ND2 112.973 7.482 Q161H-N 112.273 9.028 Q161HE21-NE2 112.959 7.707 Q161HE22-NE2 112.959 6.8 R162H-N 118.08 6.828 F163H-N 123.389 8.28 E164H-N 121.13 9.253 C165H-N 124.124 8.921 H166H-N 128.814 8.415 V167H-N 119.758 7.565 F168H-N 124.072 9.489 W169H-N 122.43 9.3 W169HE1-NE1 131.722 10.653 C170H-N 129.668 9.32 E171H-N 120.023 8.826 N173H-N 110.803 7.398 N173HD21-ND2 117.651 7.802 N173HD22-ND2 117.651 7.327 A174H-N 116.022 8.568 A175H-N 125.387 9.089 N176H-N 116.54 8.473 N176HD21-ND2 111.275 7.001 N176HD22-ND2 111.275 7.67 V177H-N 121.923 8.159 S178H-N 111.891 7.268 E179H-N 122.385 7.886 A180H-N 121.177 7.448 V181H-N 117.848 7.946 Q182H-N 119.547 8.007 Q182HE21-NE2 108.454 5.664 Q182HE22-NE2 108.454 6.419 A183H-N 119.253 7.928 A184H-N 119.892 7.314 C185H-N 120.991 7.092