Assignment w1 w2 D3H-N 120.14 8.226 H4H-N 118.011 8.42 L5H-N 122.928 8.283 I6H-N 121.702 8.12 H7H-N 123.028 8.619 N8H-N 121.119 8.539 N8HD21-ND2 111.845 7.517 N8HD22-ND2 111.845 6.775 V9H-N 120.566 8.178 H10H-N 122.406 8.611 K11H-N 123.939 8.363 E12H-N 122.576 8.546 E13H-N 122.803 8.434 H14H-N 119.362 8.572 A15H-N 124.613 8.363 H16H-N 117.755 8.543 A17H-N 124.844 8.312 H18H-N 117.939 8.613 N19H-N 120.402 8.478 N19HD21-ND2 112.864 7.611 N19HD22-ND2 112.864 6.95 K20H-N 121.607 8.398 D21H-N 120.567 8.27 Y22H-N 119.234 7.923 D23H-N 121.651 8.196 I24H-N 122.306 7.965 T26H-N 114.396 8.314 T27H-N 115.175 8.076 E28H-N 122.94 8.499 N29H-N 119.205 8.253 N29HD21-ND2 113.225 7.444 N29HD22-ND2 113.225 6.972 L30H-N 121.051 9.175 Y31H-N 121.876 8.793 F32H-N 121.897 8.952 Q33H-N 119.418 9.168 Q33HE21-NE2 111.761 7.441 Q33HE22-NE2 111.761 6.729 G34H-N 110.974 8.84 S35H-N 114.541 8.359 G37H-N 110.379 8.397 S38H-N 116.151 8.652 S39H-N 119.631 8.934 G40H-N 109.891 8.472 D41H-N 123.016 7.98 M42H-N 121.335 8.183 M43H-N 116.933 8.247 R44H-N 119.557 7.699 R44HE-NE 109.31 7.341 E45H-N 120.046 7.953 I46H-N 119.752 8.782 R47H-N 117.548 8.059 R47HE-NE 109.337 7.402 K48H-N 120.211 7.587 V49H-N 121.388 8.233 L50H-N 122.673 9.09 G51H-N 106.536 8.203 A52H-N 124.217 8.151 N53H-N 114.796 7.526 N53HD21-ND2 116.419 7.878 N53HD22-ND2 116.419 7.809 N54H-N 114.319 8.228 N54HD21-ND2 112.564 7.697 N54HD22-ND2 112.564 6.928 C55H-N 114.944 8.276 D56H-N 124.045 8.507 Y57H-N 115.66 8.008 E58H-N 118.581 9.162 Q59H-N 127.563 9.43 Q59HE21-NE2 111.38 7.33 Q59HE22-NE2 111.38 6.39 R60H-N 127.939 8.349 R60HE-NE 108.295 7.2 E61H-N 115.992 8.315 R62H-N 120.821 8.813 R62HE-NE 110.009 7.025 F63H-N 111.826 8.032 L64H-N 119.471 7.154 L65H-N 125.111 9.132 F66H-N 124.048 9.029 C67H-N 124.755 8.521 V68H-N 118.885 8.408 H69H-N 122.673 9.06 G70H-N 112.725 8.119 D71H-N 118.359 8.635 G72H-N 109.062 8.454 H73H-N 119.069 8.554 A74H-N 129.191 9.127 E75H-N 115.651 9.316 N76H-N 118.974 8.206 N76HD21-ND2 113.367 8.481 N76HD22-ND2 113.367 6.869 L77H-N 123.028 7.501 V78H-N 128.992 9.344 Q79H-N 122.485 8.557 Q79HE21-NE2 110.776 7.261 Q79HE22-NE2 110.776 6.978 W80H-N 124.566 9.289 W80HE1-NE1 125.943 8.751 E81H-N 118.19 9.345 M82H-N 119.282 9.073 E83H-N 123.365 8.879 V84H-N 127.566 8.31 C85H-N 123.59 8.828 K86H-N 122.052 8.431 L87H-N 127.227 8.621 R89H-N 116.116 8.384 R89HE-NE 109.337 7.263 L90H-N 119.377 7.985 S91H-N 112.956 8.217 L92H-N 118.631 6.975 N93H-N 118.743 8.592 N93HD21-ND2 112.065 7.096 N93HD22-ND2 112.065 6.743 G94H-N 109.471 8.96 V95H-N 120.729 8.9 R96H-N 128.146 9.221 R96HE-NE 107.108 7.284 F97H-N 124.495 9.718 K98H-N 122.841 9.345 R99H-N 129.903 8.442 R99HE-NE 106.897 7.594 I100H-N 127.649 8.968 S101H-N 113.503 8.564 G102H-N 109.988 8.582 T103H-N 111.355 9.02 S104H-N 117.009 8.89 I105H-N 119.166 8.04 A106H-N 124.619 7.935 F107H-N 118.944 8.33 K108H-N 119.752 8.682 N109H-N 117.305 8.179 N109HD21-ND2 111.251 7.521 N109HD22-ND2 111.251 6.786 I110H-N 120.533 7.53 A111H-N 125.108 7.848 S112H-N 109.402 7.545 K113H-N 123.072 7.212 I114H-N 118.19 7.825 A115H-N 119.903 8.355 N116H-N 115.396 8.017 N116HD21-ND2 112.864 7.585 N116HD22-ND2 112.864 6.912 E117H-N 121.51 7.926 L118H-N 118.617 7.61 K119H-N 115.116 7.8 L120H-N 116.356 7.962 S121H-N 116.237 9.152 G122H-N 112.483 8.745 S124H-N 116.237 8.545 S125H-N 117.631 8.403 G126H-N 116.468 8.044