Assignment w1 w2 V12H-N 117.637 7.819 Y13H-N 122.976 8.318 Q14H-N 124.676 9.128 M15H-N 128.835 8.465 K16H-N 120.235 9.119 S17H-N 121.5 9.101 K18H-N 120.561 8.12 R20H-N 118.785 8.782 G21H-N 128.529 6.49 Y22H-N 119.429 9.327 C23H-N 120.485 8.665 L24H-N 129.465 8.619 I25H-N 122.597 8.304 I26H-N 129.303 9.025 N27H-N 125.494 8.957 N28H-N 125.089 9.118 H29H-N 125.634 9.512 N30H-N 119.059 8.623 N30HD21-ND2 111.52 7.635 N30HD22-ND2 111.52 6.494 F31H-N 124.091 8.676 A32H-N 122.713 8.244 K33H-N 116.888 8.964 A34H-N 122.047 7.088 R35H-N 112.008 7.706 R35HH11-NH1 111.52 7.635 R35HH12-NH1 111.52 6.494 E36H-N 116.945 7.707 K37H-N 114.798 7.954 V38H-N 120.907 8.298 K40H-N 113.861 8.588 L41H-N 118.998 7.948 H42H-N 116.251 7.167 S43H-N 110.725 7.735 I44H-N 124.717 7.403 R45H-N 124.319 8.043 D46H-N 120.371 8.584 R47H-N 123.12 8.632 R47HH11-NH1 111.52 7.635 R47HH12-NH1 111.52 6.494 L52H-N 122.692 7.474 D53H-N 122.192 6.993 A54H-N 121.612 8.217 G55H-N 107.453 8.481 A56H-N 125.518 7.759 L57H-N 121.61 8.224 T58H-N 115.528 7.976 T59H-N 114.864 8.085 T60H-N 116.718 7.875 F61H-N 114.721 8.219 E62H-N 123.787 8.81 E63H-N 120.707 7.698 L64H-N 115.451 6.708 H65H-N 107.287 7.388 F66H-N 117.992 8.554 E67H-N 120.98 8.403 I68H-N 127.994 8.988 K69H-N 126.35 8.559 H71H-N 121.708 8.967 D72H-N 122.941 8.625 D73H-N 119.175 9.212 C74H-N 119.631 8.75 T75H-N 115.998 8.535 V76H-N 120.599 8.083 E77H-N 119.191 9.095 Q78H-N 117.101 7.523 I79H-N 120.006 8.368 Y80H-N 116.291 8.302 E81H-N 120.325 8.17 I82H-N 120.434 8.501 L83H-N 116.807 8.508 K84H-N 118.687 8.048 I85H-N 118.157 7.694 Y86H-N 115.499 7.613 Q87H-N 125.039 9.112 L88H-N 115.623 7.536 M89H-N 120.789 7.025 D90H-N 117.873 8.056 H91H-N 126.666 9.371 S92H-N 118.61 8.952 N93H-N 116.257 8.745 M94H-N 117.799 7.942 D95H-N 119.567 8.276 C96H-N 118.264 8.215 F97H-N 125.767 8.108 I98H-N 125.102 7.647 C99H-N 124.548 8.309 C100H-N 127.015 9.116 I101H-N 121.994 8.896 L102H-N 127.404 8.951 S103H-N 113.273 9.096 H104H-N 114.74 7.515 G105H-N 107.33 8.368 D106H-N 116.893 7.943 K107H-N 122.539 9.376 G108H-N 111.919 9.025 I109H-N 116.465 8.157 I110H-N 116.661 8.443 Y111H-N 119.472 8.584 G112H-N 107.078 8.522 T113H-N 113.146 8.245 D114H-N 112.026 8.801 G115H-N 107.749 8.462 Q116H-N 115.146 6.657 Q116HE21-NE2 113.45 6.984 Q116HE22-NE2 113.45 7.538 E117H-N 119.031 8.624 A118H-N 123.55 8.995 I120H-N 126.74 8.574 Y121H-N 117.479 9.192 E122H-N 115.885 7.178 L123H-N 115.934 7.44 T124H-N 107.827 8.009 S125H-N 112.67 7.435 Q126H-N 117.347 7.071 F127H-N 110.412 7.355 T128H-N 107.455 6.785 G129H-N 111.023 10.506 L130H-N 116.983 8.003 K131H-N 116.907 6.961 C132H-N 117.718 8.564 S134H-N 112.882 8.896 L135H-N 118.501 7.549 A136H-N 125.801 7.776 G137H-N 111.181 9.371 K138H-N 119.821 8.038 K140H-N 123.304 8.188 V141H-N 122.55 8.344 F142H-N 123.85 8.985 F143H-N 119.801 8.584 I144H-N 121.194 9.02 Q145H-N 128.88 8.856 A146H-N 128.349 8.418 A147H-N 123.005 8.161 Q148H-N 120.296 8.461 G149H-N 109.782 8.631 D150H-N 118.182 7.566 I156H-N 120.958 7.871 V158H-N 119.64 8.137 E159H-N 123.765 8.523 T160H-N 114.143 8.096 D161H-N 122.07 8.387 S162H-N 115.346 8.175 E163H-N 122.034 8.424 E164H-N 120.98 8.298 Q165H-N 121.693 8.34 Y167H-N 119.531 8.116 L168H-N 124.133 7.953 E169H-N 121.131 8.19 M170H-N 120.601 8.214 D171H-N 121.104 8.358 L172H-N 123.115 8.285 S173H-N 115.101 8.29 T177H-N 115.463 6.958 R178H-N 122.116 7.873 Y179H-N 118.296 8.812 I180H-N 108.609 7.254 D182H-N 120.042 8.296 E183H-N 117.84 7.651 A184H-N 121.613 8.365 D185H-N 105.829 7.245 F186H-N 116.177 8.467 L187H-N 121.383 8.964 L188H-N 128.151 9.312 G189H-N 115.881 9.415 M190H-N 122.165 8.118 A191H-N 126.194 8.024 A203H-N 119.053 8.076 E204H-N 116.458 7.784 G205H-N 108.024 7.91 T206H-N 115.417 8.364 I209H-N 113.211 6.744 Q210H-N 116.455 8.252 S211H-N 115.041 8.162 L212H-N 124.082 8.061 C213H-N 114.351 7.94 Q214H-N 117.399 7.51 S215H-N 113.799 7.906 L216H-N 121.357 8.505 R217H-N 116.018 7.972 E218H-N 113.645 7.583 R219H-N 114.272 8.621 C220H-N 120.012 8.828 R222H-N 112.486 6.904 G223H-N 105.931 8.16 D224H-N 119.342 6.891 D225H-N 117.877 8.054 I226H-N 118.352 9.101 L227H-N 119.906 7.814 T228H-N 120.011 7.665 I229H-N 119.411 7.807 L230H-N 116.186 8.53 T231H-N 112.075 8.008 E232H-N 120.074 7.717 V233H-N 121.342 7.839 Q252H-N 121.782 8.586 T254H-N 115.754 8.556 F255H-N 120.481 8.56 T256H-N 108.601 9.702 L257H-N 120.802 7.235 R258H-N 118.883 8.228 K259H-N 116.031 7.217 K260H-N 119.377 8.357 L261H-N 126.482 9.288 V262H-N 124.316 8.876 F263H-N 122.867 8.826 S265H-N 116.725 8.763 D266H-N 126.669 7.954