Assignment w1 w2 M4H-N 121.713 8.382 S5H-N 116.966 8.354 H6H-N 120.966 8.468 D7H-N 120.948 8.284 A8H-N 124.02 8.143 V9H-N 120.034 8.157 R10H-N 125.536 8.348 A12H-N 127.952 8.455 G14H-N 116.178 9.682 E15H-N 123.511 8.336 T17H-N 122.262 9.159 W18H-N 121.304 7.928 V19H-N 118.896 8.409 L21H-N 130.414 8.182 L22H-N 124.941 7.217 T23H-N 117.663 8.394 D25H-N 119.544 8.117 R26H-N 127.795 9.074 G27H-N 106.757 8.928 A28H-N 123.627 7.673 A29H-N 123.192 7.885 L30H-N 117.307 8.729 Q31H-N 116.385 7.249 Q31HE21-NE2 111.986 6.842 Q31HE22-NE2 111.986 7.469 F32H-N 120.866 7.699 Y33H-N 115.423 8.764 S34H-N 113.142 8.429 A35H-N 124.159 7.296 L36H-N 116.441 7.423 F37H-N 111.581 7.45 G38H-N 107.358 7.97 W39H-N 116.638 6.177 W39HE1-NE1 129.181 10.46 E40H-N 119.397 9.109 F41H-N 120.741 8.491 S42H-N 117.062 8.879 T43H-N 122.348 8.892 T44H-N 123.272 8.796 S45H-N 116.269 8.481 D46H-N 123.551 8.579 G47H-N 109.288 8.697 T48H-N 114.17 8.375 T52H-N 118.084 9.447 M53H-N 126.406 9.006 C54H-N 125.134 8.743 R55H-N 123.912 9.473 R55HE-NE 84.14 7.338 L56H-N 120.396 8.771 R57H-N 126.897 9.74 G58H-N 103.009 8.823 R59H-N 119.717 7.794 R59HE-NE 85.286 7.341 E60H-N 120.572 8.874 V61H-N 122.747 8.99 C62H-N 109.691 6.905 S63H-N 108.236 7.254 I64H-N 117.918 8.836 G65H-N 115.062 9.563 L67H-N 124.619 7.635 G68H-N 109.627 8.571 N70H-N 118.803 8.291 N70HD21-ND2 114.317 6.879 N70HD22-ND2 114.317 7.593 G72H-N 111.249 7.911 A74H-N 121.048 7.979 L75H-N 118.512 7.676 G76H-N 107.479 8.453 G77H-N 108.942 8.497 W78H-N 122.612 9.481 W78HE1-NE1 127.867 9.884 S80H-N 120.114 8.461 Y81H-N 120.186 8.928 L82H-N 125.78 8.904 S83H-N 116.617 8.063 V84H-N 116.916 8.608 D85H-N 121.088 8.836 D86H-N 116.398 7.269 A87H-N 129.069 9.428 D88H-N 118.711 8.245 A89H-N 125.185 8.244 A90H-N 121.419 7.933 A91H-N 118.62 8.226 A92H-N 117.37 7.344 A93H-N 120.289 7.513 V94H-N 115.357 7.819 E96H-N 118.774 6.947 L97H-N 117.709 7.571 G98H-N 105.091 7.617 G99H-N 107.985 8.023 A100H-N 120.487 8.488 V101H-N 122.906 9.189 L102H-N 128.5 9.138 L103H-N 119.087 7.729 G104H-N 111.994 8.833 I106H-N 121.901 9.367 D107H-N 124.544 8.545 I108H-N 123.84 8.022 L109H-N 124.681 8.63 Q111H-N 118.676 8.964 Q111HE21-NE2 110.206 6.656 Q111HE22-NE2 110.206 7.22 G112H-N 104.669 7.087 R113H-N 120.975 7.705 R113HE-NE 83.458 7.577 M114H-N 124.764 9.06 L115H-N 121.783 9.114 L116H-N 121.676 8.904 A117H-N 127.385 9.738 G118H-N 107.004 9.436 D119H-N 122.539 8.051 S121H-N 111.97 7.469 G122H-N 109.116 8.295 H123H-N 120.766 8.155 R124H-N 124.265 8.577 R124HE-NE 84.359 7.18 V125H-N 128.718 10.054 G126H-N 115.491 8.436 L127H-N 124.02 9.463 W128H-N 123.117 8.951 W128HE1-NE1 126.843 9.141 Q129H-N 130.329 8.935 Q129HE21-NE2 112.115 7.091 Q129HE22-NE2 112.115 7.61 A130H-N 130.025 8.684 K131H-N 124.63 7.917 E132H-N 117.681 8.038 H133H-N 122.206 9.053 T134H-N 113.61 8.123 G135H-N 108.736 7.569 S136H-N 116.53 8.93 G137H-N 113.363 8.939 D139H-N 121.766 8.537 D140H-N 125.584 8.18 G141H-N 107.164 7.732 I142H-N 117.904 8.319 G143H-N 116.622 9.652 A144H-N 118.824 7.543 Y145H-N 119.136 8.694 T146H-N 127.833 8.534 R147H-N 109.282 6.832 S148H-N 110.089 6.303 E149H-N 119.046 8.525 L150H-N 124.825 7.983 L151H-N 130.321 8.352 T152H-N 116.934 8.619 G153H-N 115.314 8.683 A154H-N 130.202 9.164 S155H-N 116.014 8.411 A156H-N 126.079 8.642 T157H-N 115.016 7.876 D158H-N 124.309 8.94 G159H-N 106.804 8.468 A160H-N 121.554 7.494 F161H-N 120.341 7.421 Y162H-N 116.19 7.79 R163H-N 118.486 8.839 R163HE-NE 86.283 7.216 G164H-N 109.979 7.814 L165H-N 120.227 6.868 F166H-N 113.675 8.031 G167H-N 110.641 8.043 A168H-N 119.824 8.332 D169H-N 113.029 8.38 F170H-N 123.84 7.93 A171H-N 125.962 8.704 T172H-N 109.619 7.613 E173H-N 122.606 8.726 S174H-N 116.348 8.304 G175H-N 110.804 8.442 T176H-N 112.852 8.091 D177H-N 122.678 8.41 G178H-N 109.529 8.404 G179H-N 108.87 8.373 G180H-N 108.905 8.204 R181H-N 121.089 8.48 R182H-N 120.077 7.991 R182HE-NE 85.239 7.192 A183H-N 123.062 8.603 A184H-N 117.031 6.827 I185H-N 119.999 8.611 R186H-N 126.472 9.519 R186HE-NE 88.73 8.366 Q187H-N 124.191 8.363 Q187HE21-NE2 113.62 6.925 Q187HE22-NE2 113.62 7.435 V188H-N 121.317 8.129 G189H-N 106.792 8.272 A191H-N 120.342 8.396 A192H-N 122.349 7.193 S194H-N 111.133 8.091 G195H-N 112.333 9.246 W196H-N 118.721 9.063 W196HE1-NE1 129.214 10.386 Y197H-N 123.184 9.478 C199H-N 117.655 8.481 F200H-N 123.996 8.949 R201H-N 124.83 8.333 A202H-N 128.106 8.991 Q203H-N 116.193 8.33 Q203HE21-NE2 112.968 6.885 Q203HE22-NE2 112.968 7.793 E204H-N 121.86 9.291 S205H-N 112.055 8.135 A206H-N 125.841 8.448 V207H-N 114.394 7.596 A209H-N 119.739 7.052 A210H-N 120.649 8.42 V211H-N 120.05 8.207 M212H-N 122.465 8.324 L213H-N 118.186 7.454 G214H-N 105.306 7.934 A215H-N 123.929 8.52 S216H-N 111.856 8.519 V217H-N 123.846 8.796 L218H-N 127.468 9.414 L219H-N 118.114 7.436 R220H-N 125.403 8.408 R220HE-NE 85.449 7.287 Y221H-N 122.089 9.067 D222H-N 118.737 8.557 C223H-N 120.237 8.089 D225H-N 109.187 8.798 G226H-N 108.932 7.304 A228H-N 124.14 8.807 V229H-N 121.141 8.944 V230H-N 129.402 9.32 V231H-N 125.583 9.477 S232H-N 115.241 8.911 A233H-N 128.38 9.272 G235H-N 103.872 8.357 G236H-N 108.712 7.952 E237H-N 124.033 9.852 V238H-N 121.051 8.552 F239H-N 121.141 8.893 T240H-N 117.174 9.187 L241H-N 126.937 9.396 L242H-N 125.653 8.65 L243H-N 126.147 8.772 T244H-N 114.683 8.35 D245H-N 128.315 8.125