Assignment w1 w2 G8H-N 110.338 8.427 H9H-N 119.09 8.232 I10H-N 123.072 8.198 E11H-N 125.41 8.556 G12H-N 110.458 8.533 R13H-N 119.602 7.97 H14H-N 121.615 9.827 M15H-N 120.901 8.656 Q16H-N 122.553 9.522 M17H-N 123.362 8.961 K18H-N 115.724 8.588 D19H-N 120.367 7.305 L20H-N 120.061 7.395 Q21H-N 116.432 8.15 Q21HE21-NE2 110.74 7.315 Q21HE22-NE2 110.74 6.855 A22H-N 122.472 7.666 I23H-N 119.811 8.081 K24H-N 119.774 8.34 Q25H-N 117.427 8.104 E26H-N 119.625 7.85 V27H-N 113.633 8.135 S28H-N 114.808 7.694 Q29H-N 118.184 8.494 A30H-N 124.414 7.989 A31H-N 124.917 8.686 G33H-N 108.14 5.589 S34H-N 117.438 8.078 Q36H-N 116.761 8.978 F37H-N 120.913 7.312 M38H-N 114.678 8.885 Q39H-N 119.606 8.421 T40H-N 115.58 7.422 I41H-N 119.381 8.155 R42H-N 122.073 8.886 L43H-N 120.081 7.534 A44H-N 121.912 7.947 V45H-N 118.315 8.426 Q46H-N 120.064 7.934 Q46HE21-NE2 111.035 7.481 Q46HE22-NE2 111.035 6.737 Q47H-N 116.758 8.392 Q47HE21-NE2 110.35 6.939 Q47HE22-NE2 110.35 6.672 F48H-N 112.681 8.226 D49H-N 117.158 7.892 T51H-N 110.031 8.945 A52H-N 120.455 6.69 K53H-N 122.216 8.699 D54H-N 119.52 7.426 L55H-N 117.796 7.987 Q56H-N 121.406 7.862 Q56HE21-NE2 112.046 7.642 Q56HE22-NE2 112.046 7.018 D57H-N 121.117 8.021 L58H-N 120.898 8.539 L59H-N 119.868 8.706 Q60H-N 113.661 8.166 Y61H-N 118.572 8.07 L62H-N 114.17 8.172 C63H-N 114.869 8.078 S64H-N 117.914 8.95 S65H-N 116.836 9.034 L66H-N 122.807 8.15 V67H-N 120.45 7.552 A68H-N 121.226 8.877 S69H-N 114.039 8.061 L70H-N 123.621 8.033 H71H-N 121.332 8.791 H72H-N 116.953 8.456 Q73H-N 117.105 7.862 Q74H-N 119.574 7.835 Q74HE21-NE2 110.879 7.185 Q74HE22-NE2 110.879 6.877 L75H-N 122.453 9.131 D76H-N 119.118 8.361 S77H-N 115.54 7.388 L78H-N 122.963 8.326 I79H-N 121.458 9.131 S80H-N 114.888 7.925 E81H-N 120.901 7.905 A82H-N 123.904 8.323 E83H-N 116.994 8.929 T84H-N 114.305 7.766 R85H-N 120.902 7.741 G86H-N 109.592 8.032 I87H-N 126.364 8.773 T88H-N 126.601 8.841 G89H-N 113.808 8.961 Y90H-N 120.758 7.988 N91H-N 128.58 9.001 N91HD21-ND2 111.466 7.74 N91HD22-ND2 111.466 6.914 L93H-N 117.824 7.656 A94H-N 119.69 7.498 G95H-N 106.997 7.298 L97H-N 127.089 8.87 R98H-N 113.951 9.037 V99H-N 115.445 6.827 Q100H-N 121.225 8.159 A101H-N 116.949 8.297 N102H-N 115.701 7.47 N102HD21-ND2 112.485 7.579 N102HD22-ND2 112.485 6.708 N103H-N 122.164 7.828 N103HD21-ND2 113.317 7.993 N103HD22-ND2 113.317 7.268 Q105H-N 114.044 8.275 Q106H-N 120.06 7.727 Q106HE21-NE2 110.933 7.364 Q106HE22-NE2 110.933 7.007 Q107H-N 120.903 7.894 G108H-N 106.692 8.617 L109H-N 121.201 7.947 R110H-N 120.579 8.333 R111H-N 119.08 8.207 E112H-N 120.148 8.097 Y113H-N 119.784 8.678 Q114H-N 116.965 8.51 Q115H-N 114.784 7.747 L116H-N 122.297 7.891 W117H-N 121.227 8.917 W117HE1-NE1 129.287 9.5 L118H-N 118.722 8.642 A119H-N 122.966 8.166 A120H-N 120.708 7.934 F121H-N 111.839 7.234 A122H-N 120.276 7.683 A123H-N 117.71 7.283 L124H-N 119.477 7.394 G126H-N 108.475 8.59 S127H-N 114.878 7.956 A128H-N 124.733 8.187 K129H-N 119.194 8.08 D130H-N 121.78 7.917 S132H-N 117.973 8.661 W133H-N 117.929 7.036 W133HE1-NE1 130.745 10.44 A134H-N 120.321 7.104 S135H-N 109.91 7.5 I136H-N 123.03 7.085 L137H-N 128.54 8.081 Q138H-N 125.434 7.483 Q138HE21-NE2 107.704 8.169 Q138HE22-NE2 107.704 6.523 G139H-N 115.462 9.778 L140H-N 123.263 8.862 E141H-N 113.517 8.642 E142H-N 125.113 7.034 Y144H-N 126.377 9.003 H145H-N 114.195 9.176 A146H-N 123.152 6.442 F147H-N 123.092 7.461 V148H-N 120.517 7.97 E149H-N 119.758 7.802 R150H-N 118.947 7.741 L151H-N 121.443 8.082 N152H-N 117.48 8.49 N152HD21-ND2 114.473 7.536 N152HD22-ND2 114.473 6.86 A154H-N 122.007 7.703 L155H-N 119.483 8.421 D156H-N 120.563 8.404 N157H-N 114.124 7.783 N157HD21-ND2 113.161 7.629 N157HD22-ND2 113.161 7.011 G158H-N 106.01 7.945 L159H-N 123.091 8.283 E161H-N 124.067 8.747 G162H-N 112.43 8.885 T163H-N 119.22 7.702 K165H-N 124.239 8.292 D166H-N 118.149 8.542 I168H-N 117.794 6.831 L169H-N 121.551 8.405 R170H-N 114.407 8.182 S171H-N 111.847 7.314 L172H-N 122.329 8.619 A173H-N 120.579 8.634 Y174H-N 115.905 7.428 S175H-N 114.88 9.083 N176H-N 120.138 8.88 A177H-N 124.084 7.02 N178H-N 117.982 8.995 K179H-N 117.758 8.322 E180H-N 117.806 7.938 C181H-N 117.797 8.253 Q182H-N 119.777 8.863 K183H-N 117.736 7.848 L184H-N 121.476 7.477 L185H-N 119.412 8.267 Q186H-N 112.737 8.397 Q186HE21-NE2 110.216 7.386 Q186HE22-NE2 110.216 6.837 A187H-N 122.589 8.444 R188H-N 113.258 7.906 G189H-N 107.254 7.644 H190H-N 116.966 8.358 N192H-N 118.189 8.229 N192HD21-ND2 111.971 7.515 N192HD22-ND2 111.971 6.811 S193H-N 118.983 7.329 L195H-N 124.367 8.905 G196H-N 119.956 8.89 D197H-N 120.425 7.278 M198H-N 121.762 7.596 L199H-N 116.796 8.621 R200H-N 118.594 7.77 A201H-N 120.883 7.916 C202H-N 110.197 7.091 Q203H-N 121.962 7.746 T204H-N 107.11 7.912 W205H-N 124.376 7.688 W205HE1-NE1 131.431 10.339 T206H-N 122.135 7.402 K208H-N 121.637 8.468 D209H-N 121.17 8.278 K210H-N 122.512 8.372 T211H-N 114.594 8.292 K212H-N 123.781 8.106 V213H-N 122.231 8.107 L214H-N 131.376 7.839 G8H-N 110.159 8.421 H9H-N 118.967 8.241 I10H-N 123.008 8.204 E11H-N 125.189 8.55 G12H-N 110.24 8.52 R13H-N 119.541 7.987 H14H-N 121.251 9.725 M15H-N 120.846 8.668 Q16H-N 122.48 9.533 M17H-N 123.084 8.95 K18H-N 115.482 8.584 D19H-N 120.113 7.3 L20H-N 119.803 7.401 Q21H-N 116.199 8.149 A22H-N 122.25 7.659 I23H-N 119.737 8.077 K24H-N 119.532 8.333 Q25H-N 117.265 8.099 E26H-N 119.403 7.842 V27H-N 113.415 8.134 S28H-N 114.69 7.687 Q29H-N 118.099 8.489 A30H-N 124.258 7.996 A31H-N 124.622 8.679 G33H-N 107.894 5.577 S34H-N 117.304 8.084 Q36H-N 116.553 8.98 F37H-N 120.732 7.306 M38H-N 114.425 8.885 Q39H-N 119.357 8.408 T40H-N 115.461 7.403 I41H-N 119.162 8.152 R42H-N 121.786 8.881 L43H-N 119.847 7.522 A44H-N 121.86 7.939 V45H-N 118.104 8.414 Q46H-N 119.862 7.931 Q47H-N 116.547 8.394 F48H-N 112.515 8.223 D49H-N 117.15 7.886 T51H-N 109.893 8.923 A52H-N 120.233 6.676 K53H-N 122.118 8.714 D54H-N 119.409 7.431 L55H-N 117.622 7.994 Q56H-N 121.181 7.857 D57H-N 120.845 8.024 L58H-N 120.728 8.517 L59H-N 119.69 8.708 Q60H-N 113.468 8.147 Y61H-N 118.358 8.061 L62H-N 113.779 8.159 C63H-N 114.714 8.083 S64H-N 117.731 8.947 S65H-N 116.597 9.02 L66H-N 122.602 8.146 V67H-N 120.303 7.554 A68H-N 120.945 8.874 S69H-N 113.911 8.058 L70H-N 123.437 8.026 H71H-N 121.076 8.788 H72H-N 116.721 8.456 Q73H-N 116.885 7.852 Q74H-N 119.284 7.822 L75H-N 122.252 9.125 D76H-N 118.819 8.348 S77H-N 115.373 7.382 L78H-N 122.715 8.327 I79H-N 121.267 9.125 S80H-N 114.593 7.936 E81H-N 120.686 7.894 A82H-N 123.673 8.316 E83H-N 116.795 8.92 T84H-N 114.177 7.769 R85H-N 120.705 7.739 G86H-N 109.402 8.018 I87H-N 126.368 8.788 T88H-N 126.285 8.834 G89H-N 113.514 8.947 Y90H-N 120.588 7.992 N91H-N 128.408 8.995 L93H-N 117.623 7.659 A94H-N 119.534 7.501 G95H-N 106.816 7.294 L97H-N 126.761 8.862 R98H-N 113.745 9.031 V99H-N 115.251 6.822 Q100H-N 120.992 8.155 A101H-N 116.703 8.29 N102H-N 115.511 7.47 N103H-N 122.009 7.831 Q105H-N 113.853 8.274 Q106H-N 119.973 7.74 Q107H-N 120.711 7.871 G108H-N 106.469 8.605 L109H-N 121.036 7.954 R110H-N 120.352 8.327 R111H-N 118.873 8.208 E112H-N 119.952 8.102 Y113H-N 119.54 8.678 Q114H-N 116.675 8.496 Q115H-N 114.51 7.743 L116H-N 122.098 7.886 W117H-N 121.031 8.907 W117HE1-NE1 129.236 9.5 L118H-N 118.516 8.64 A119H-N 122.715 8.172 A120H-N 120.478 7.93 F121H-N 111.649 7.229 A122H-N 120.008 7.681 A123H-N 117.51 7.285 L124H-N 119.286 7.402 G126H-N 108.205 8.569 S127H-N 114.763 7.955 A128H-N 124.62 8.187 K129H-N 119.116 8.085 D130H-N 121.574 7.916 S132H-N 117.728 8.644 W133H-N 117.863 7.034 W133HE1-NE1 130.673 10.439 A134H-N 120.134 7.116 S135H-N 109.705 7.498 I136H-N 122.958 7.097 L137H-N 128.189 8.075 Q138H-N 125.209 7.481 G139H-N 115.253 9.771 L140H-N 123.136 8.862 E141H-N 113.349 8.64 E142H-N 124.979 7.036 Y144H-N 126.163 8.994 H145H-N 113.945 9.187 A146H-N 122.845 6.448 F147H-N 122.88 7.453 V148H-N 120.256 7.959 E149H-N 119.383 7.807 R150H-N 118.745 7.73 L151H-N 121.235 8.076 N152H-N 117.147 8.474 I153H-N 117.598 7.973 A154H-N 121.778 7.696 L155H-N 119.146 8.405 D156H-N 120.248 8.402 N157H-N 113.905 7.784 G158H-N 105.766 7.945 L159H-N 122.966 8.292 E161H-N 123.743 8.729 G162H-N 112.218 8.874 T163H-N 119.151 7.71 K165H-N 124.012 8.297 D166H-N 117.859 8.525 I168H-N 117.647 6.822 L169H-N 121.391 8.393 R170H-N 114.18 8.173 S171H-N 111.803 7.319 L172H-N 122.14 8.62 A173H-N 120.346 8.623 Y174H-N 115.73 7.423 S175H-N 114.725 9.078 N176H-N 119.972 8.891 A177H-N 123.914 7.013 N178H-N 117.71 8.969 K179H-N 117.504 8.314 E180H-N 117.595 7.944 C181H-N 117.63 8.251 Q182H-N 119.52 8.861 K183H-N 117.505 7.828 L184H-N 121.191 7.461 L185H-N 119.222 8.26 Q186H-N 117.604 8.393 A187H-N 122.361 8.415 R188H-N 113.125 7.893 G189H-N 107.07 7.644 H190H-N 116.8 8.362 N192H-N 118.095 8.238 S193H-N 118.751 7.349 L195H-N 124.098 8.902 G196H-N 103.382 8.885 D197H-N 120.087 7.28 M198H-N 121.54 7.599 L199H-N 116.548 8.614 R200H-N 118.34 7.776 A201H-N 120.651 7.912 C202H-N 110.121 7.094 Q203H-N 121.781 7.742 T204H-N 107.068 7.924 W205H-N 124.25 7.689 W205HE1-NE1 131.383 10.336 T206H-N 122.016 7.406 K208H-N 121.428 8.464 D209H-N 120.946 8.276 K210H-N 122.321 8.371 T211H-N 114.507 8.292 K212H-N 123.629 8.106 V213H-N 122.098 8.106 L214H-N 131.12 7.838