Assignment w1 w2 V4H-N 110.21 8.229 W5H-N 122.976 7.929 W5HE1-NE1 125.655 9.288 R6H-N 115.526 7.458 Y9H-N 119.899 6.867 I10H-N 128.394 8.194 T11H-N 117.229 9.097 Y12H-N 117.274 8.546 R13H-N 118.851 8.291 I14H-N 127.164 9.11 N15H-N 128.561 9.604 N15HD21-ND2 112.162 7.946 N15HD22-ND2 112.162 7.021 N16H-N 113.007 7.718 N16HD21-ND2 114.847 7.821 N16HD22-ND2 114.847 6.887 Y17H-N 114.955 8.537 T18H-N 115.752 8.09 D20H-N 121.788 8.739 M21H-N 113.047 6.811 N22H-N 118.643 8.82 N22HD21-ND2 113.938 7.551 N22HD22-ND2 113.938 6.879 R23H-N 125.97 8.902 E24H-N 116.093 9.022 D25H-N 119.843 7.409 V26H-N 123.993 7.683 D27H-N 118.287 8.3 Y28H-N 119.607 8.09 A29H-N 121.412 7.984 I30H-N 113.835 7.983 R31H-N 119.589 8.2 K32H-N 118.961 8.462 A33H-N 123.489 7.948 F34H-N 113.9 7.649 Q35H-N 118.904 8.04 Q35HE21-NE2 112.879 7.533 Q35HE22-NE2 112.879 6.887 V36H-N 116.949 7.579 W37H-N 116.762 6.641 W37HE1-NE1 128.128 10.027 S38H-N 117.922 8.963 N39H-N 114.792 8.012 N39HD21-ND2 111.562 7.524 N39HD22-ND2 111.562 6.917 V40H-N 105.538 7.025 T41H-N 109.982 7.459 L43H-N 111.126 7.204 K44H-N 122.655 8.119 F45H-N 119.696 8.109 S46H-N 116.544 7.975 K47H-N 127.558 8.057 I48H-N 123.812 8.683 N49H-N 119.411 8.727 N49HD21-ND2 109.786 6.672 N49HD22-ND2 109.786 7.584 T50H-N 111.621 7.384 G51H-N 109.896 8.207 M52H-N 119.106 8.181 A53H-N 126.941 7.904 D54H-N 121.373 7.962 I55H-N 124.32 8.785 L56H-N 129.919 7.552 V57H-N 125.516 8.712 V58H-N 126.808 8.713 F59H-N 125.471 8.296 A60H-N 125.759 9.049 R61H-N 118.113 8.738 G62H-N 108.004 9.407 A63H-N 134.082 9.118 H64H-N 124.847 7.794 G65H-N 108.634 7.675 D66H-N 126.858 7.949 D67H-N 120.204 7.98 H68H-N 119.701 7.446 A69H-N 123.252 7.94 F70H-N 120.039 7.92 D71H-N 116.247 8.218 G72H-N 110.15 8.792 K73H-N 124.041 8.668 G74H-N 121.103 10.689 G75H-N 110.629 8.417 I76H-N 129.153 10.567 L77H-N 127.756 8.452 A78H-N 114.363 7.398 H79H-N 113.788 9.104 A80H-N 122.807 8.589 F81H-N 131.38 11.91 G82H-N 105.239 8.163 G84H-N 106.878 5.621 S85H-N 114.47 8.293 G86H-N 112.395 8.902 I87H-N 134.118 8.938 G88H-N 106.059 7.576 G89H-N 119.477 7.783 D90H-N 122.517 8.265 A91H-N 119.865 8.581 H92H-N 121.186 9.018 F93H-N 122.387 8.971 D94H-N 120.718 7.912 E95H-N 120.958 8.007 D96H-N 122.597 8.161 E97H-N 130.48 9.391 F98H-N 119.21 8.983 W99H-N 116.741 7.319 W99HE1-NE1 126.897 10.109 T100H-N 126.21 8.338 T101H-N 122.666 7.908 H102H-N 120.547 7.498 S103H-N 115.418 6.877 G104H-N 115.132 9.473 G105H-N 108.27 7.801 T106H-N 124.763 9.101 N107H-N 125.523 8.498 N107HD21-ND2 111.286 7.93 N107HD22-ND2 111.286 6.255 L108H-N 131.606 8.41 F109H-N 119.852 9.128 L110H-N 117.948 8.738 T111H-N 112.535 7.283 A112H-N 123.596 9.132 V113H-N 118.495 8.248 H114H-N 117.899 6.874 A115H-N 120.337 8.639 I116H-N 115.625 8.806 G117H-N 108.98 7.604 H118H-N 119.129 7.123 S119H-N 122.583 8.593 L120H-N 113.75 7.639 G121H-N 106.953 8.146 L122H-N 120.575 8.289 G123H-N 109.69 8.271 H124H-N 115.595 8.353 S125H-N 113.754 6.729 S126H-N 120.056 8.764 D127H-N 126.571 8.848 K129H-N 116.552 8.151 A130H-N 123.681 8.124 V131H-N 130.727 11.387 M132H-N 115.3 7.541 F133H-N 128.151 7.992 T135H-N 116.478 7.884 Y136H-N 127.452 8.973 K137H-N 129.709 7.841 Y138H-N 123.949 8.5 V139H-N 124.19 5.727 D140H-N 119.172 7.794 I141H-N 124.692 7.777 N142H-N 118.248 8.452 N142HD21-ND2 115.129 6.956 N142HD22-ND2 115.129 7.904 T143H-N 109.5 7.545 F144H-N 123.197 7.162 R145H-N 126.185 7.112 L146H-N 121.116 8.071 S147H-N 117.994 8.822 A148H-N 123.484 8.77 D149H-N 117.544 8.18 D150H-N 118.753 7.384 I151H-N 118.9 7.888 R152H-N 119.13 8.484 G153H-N 106.9 8.269 I154H-N 123.062 8.587 Q155H-N 123.4 8.652 Q155HE21-NE2 117.198 8.256 Q155HE22-NE2 117.198 7.649 S156H-N 117.418 8.084 L157H-N 118.102 6.749 Y158H-N 112.416 7.608 G159H-N 109.424 8.299 D160H-N 116.396 7.879 N169H-N 119.792 8.381 A176H-N 124.286 8.294 L177H-N 122.165 7.717 C178H-N 108.551 7.661 D179H-N 123.557 7.224 N181H-N 116.001 8.584 N181HD21-ND2 108.751 6.729 N181HD22-ND2 108.751 6.301 L182H-N 122.798 6.967 S183H-N 117.931 7.265 F184H-N 117.046 9.248 D185H-N 121.592 9.234 A186H-N 118.184 7.767 V187H-N 121.068 8.627 T188H-N 115.702 8.532 T189H-N 116.068 6.586 V190H-N 122.863 8.382 G191H-N 120.094 9.994 N192H-N 126.467 8.711 N192HD21-ND2 112.082 7.629 N192HD22-ND2 112.082 6.907 K193H-N 119.903 7.908 I194H-N 120.417 8.865 F195H-N 126.007 8.607 F196H-N 120.407 8.979 F197H-N 120.533 9.121 K198H-N 123.624 9.265 D199H-N 129.271 10.086 R200H-N 121.356 7.673 F201H-N 121.979 8.788 F202H-N 112.668 8.796 W203H-N 124.263 9.699 W203HE1-NE1 128.514 9.901 L204H-N 124.003 8.551 K205H-N 128.877 8.987 V206H-N 125.67 9.087 S207H-N 121.413 8.559 E208H-N 117.0 8.663 R209H-N 119.239 7.693 K211H-N 118.653 7.605 T212H-N 123.085 8.383 S213H-N 119.452 8.123 V214H-N 122.646 8.203 N215H-N 123.64 7.977 N215HD21-ND2 113.98 5.87 N215HD22-ND2 113.98 6.652 L216H-N 120.622 8.746 I217H-N 127.86 8.961 S218H-N 112.595 8.611 S219H-N 116.711 7.439 L220H-N 122.841 6.957 W221H-N 116.95 7.893 W221HE1-NE1 126.2 9.374 T223H-N 107.64 8.308 L224H-N 125.874 7.165 S226H-N 107.852 7.325 G227H-N 109.364 7.627 I228H-N 122.19 8.107 E229H-N 123.049 8.475 A230H-N 117.055 7.607 A231H-N 123.657 8.78 Y232H-N 119.42 9.259 E233H-N 118.285 8.99 I234H-N 118.181 7.857 E235H-N 132.211 9.329 A236H-N 119.851 8.761 R237H-N 112.349 7.016 N238H-N 118.35 8.243 N238HD21-ND2 112.066 7.463 N238HD22-ND2 112.066 6.67 Q239H-N 113.976 7.057 Q239HE21-NE2 107.332 7.173 Q239HE22-NE2 107.332 6.367 V240H-N 122.931 8.464 F241H-N 125.473 9.084 L242H-N 119.233 8.148 F243H-N 119.583 8.193 K244H-N 120.302 8.853 D245H-N 129.223 10.129 D246H-N 118.702 8.343 K247H-N 122.516 8.135 Y248H-N 114.058 8.351 W249H-N 120.228 8.982 W249HE1-NE1 127.895 10.02 L250H-N 124.719 8.19 I251H-N 129.185 8.919 S252H-N 122.409 8.311 N253H-N 127.151 8.949 N253HD21-ND2 113.219 7.479 N253HD22-ND2 113.219 6.777 L254H-N 108.343 9.196 R255H-N 123.592 7.933 E257H-N 126.471 7.985 N259H-N 112.463 8.744 N259HD21-ND2 113.451 7.281 N259HD22-ND2 113.451 6.8 Y260H-N 116.089 7.157 K262H-N 119.355 7.696 S263H-N 111.671 8.171 I264H-N 121.503 8.537 H265H-N 121.082 8.241 S266H-N 118.037 7.928 F267H-N 117.625 7.495 G268H-N 100.114 7.47 F269H-N 115.334 5.839 F272H-N 111.214 6.783 V273H-N 124.925 7.164 K274H-N 125.344 8.411 K275H-N 114.392 7.132 I276H-N 120.678 9.756 D277H-N 121.434 8.398 A278H-N 118.301 7.878 A279H-N 124.277 8.858 V280H-N 113.074 7.99 F281H-N 129.217 8.972 N282H-N 126.167 8.728 R284H-N 117.712 7.559 F285H-N 113.789 6.649 Y286H-N 123.626 8.301 R287H-N 113.573 6.666 T288H-N 121.676 9.045 Y289H-N 125.949 8.801 F290H-N 118.958 8.345 F291H-N 122.434 8.871 V292H-N 124.488 9.532 D293H-N 131.264 9.504 N294H-N 117.67 8.169 N294HD21-ND2 110.481 7.351 N294HD22-ND2 110.481 6.858 Q295H-N 121.123 8.615 Q295HE21-NE2 109.479 8.246 Q295HE22-NE2 109.479 6.734 Y296H-N 114.095 8.937 W297H-N 121.497 9.249 W297HE1-NE1 128.083 10.312 Y299H-N 129.296 9.516 D300H-N 126.932 8.161 E301H-N 123.517 7.369 R302H-N 119.531 8.829 R303H-N 116.581 7.286 Q304H-N 115.372 7.804 Q304HE21-NE2 113.965 7.763 Q304HE22-NE2 113.965 6.714 M305H-N 113.435 6.723 M306H-N 122.215 8.849 D307H-N 125.927 8.482 G309H-N 107.31 8.509 Y310H-N 117.792 7.605 K312H-N 117.621 7.616 L313H-N 118.996 8.505 I314H-N 126.162 8.637 T315H-N 109.09 9.098 K316H-N 115.616 6.326 N317H-N 115.985 7.277 F318H-N 121.411 8.206 Q319H-N 120.885 7.913 Q319HE21-NE2 111.53 7.467 Q319HE22-NE2 111.53 6.681 G320H-N 113.946 8.735 I321H-N 123.017 7.593 G322H-N 110.945 8.784 K324H-N 118.129 7.445 I325H-N 127.116 10.16 D326H-N 123.182 8.764 A327H-N 119.318 7.829 V328H-N 119.001 8.485 F329H-N 119.249 7.925 Y330H-N 124.509 9.393 S331H-N 118.837 8.498 K332H-N 119.821 8.594 N333H-N 111.597 7.932 N333HD21-ND2 113.405 7.561 N333HD22-ND2 113.405 6.982 K334H-N 115.169 7.528 Y335H-N 114.382 7.242 Y336H-N 116.309 9.071 Y337H-N 120.714 8.413 F338H-N 119.516 8.702 F339H-N 119.79 9.171 Q340H-N 123.937 9.173 Q340HE21-NE2 107.303 7.074 Q340HE22-NE2 107.303 6.859 G341H-N 117.86 9.314 S342H-N 121.254 8.754 N343H-N 120.821 8.009 N343HD21-ND2 114.952 7.701 N343HD22-ND2 114.952 6.964 Q344H-N 121.387 7.946 Q344HE21-NE2 109.224 7.608 Q344HE22-NE2 109.224 6.679 F345H-N 124.993 9.205 E346H-N 125.801 8.671 Y347H-N 130.514 9.546 D348H-N 128.779 8.131 F349H-N 122.126 7.466 L350H-N 125.362 8.378 L351H-N 119.91 8.172 Q352H-N 113.987 7.993 Q352HE21-NE2 111.856 7.523 Q352HE22-NE2 111.856 6.738 R353H-N 112.407 6.769 I354H-N 122.255 8.712 T355H-N 120.554 9.267 K356H-N 121.653 7.53 T357H-N 118.697 8.272 L358H-N 127.259 8.967 K359H-N 119.47 8.191 S360H-N 118.912 8.45 N361H-N 114.092 6.979 S362H-N 114.386 7.185 W363H-N 122.026 7.435 W363HE1-NE1 127.644 9.826 F364H-N 116.316 7.102 G365H-N 107.975 7.736 C366H-N 122.974 6.869