Assignment w1 w2 S4H-N 116.817 8.641 N5H-N 122.817 8.589 N5HD21-ND2 112.682 7.553 N5HD22-ND2 112.682 8.042 R6H-N 120.088 8.23 E7H-N 117.907 7.975 L8H-N 119.766 7.749 V9H-N 117.742 7.716 V10H-N 117.76 8.426 D11H-N 121.135 8.192 F12H-N 120.222 8.246 L13H-N 116.847 8.918 S14H-N 114.271 8.559 Y15H-N 125.292 8.305 K16H-N 120.173 8.264 L17H-N 118.8 8.693 S18H-N 117.762 8.437 Q19H-N 122.817 7.652 Q19HE21-NE2 114.589 7.448 Q19HE22-NE2 114.589 6.762 K20H-N 116.692 7.266 G21H-N 105.457 7.589 Y22H-N 119.668 7.842 S23H-N 115.031 8.634 W24H-N 127.808 9.091 W24HE1-NE1 128.946 10.103 S25H-N 111.115 8.301 Q26H-N 119.253 7.478 Q26HE21-NE2 111.069 6.838 Q26HE22-NE2 111.069 7.346 F27H-N 115.735 7.221 S28H-N 113.528 7.161 D29H-N 122.859 8.356 V30H-N 119.305 7.967 E31H-N 124.78 8.548 E32H-N 122.42 8.457 N33H-N 119.783 8.529 N33HD21-ND2 112.812 7.601 N33HD22-ND2 112.812 6.928 R34H-N 122.217 8.365 T35H-N 115.986 8.3 E36H-N 123.177 8.423 A37H-N 126.24 8.321 E39H-N 121.25 8.648 G40H-N 110.347 8.533 T41H-N 113.025 8.229 E42H-N 123.335 8.887 S43H-N 115.443 8.468 E44H-N 123.106 8.282 A45H-N 120.85 8.233 V46H-N 118.913 7.548 K47H-N 117.935 7.456 Q48H-N 116.287 8.179 Q48HE21-NE2 112.304 7.881 Q48HE22-NE2 112.304 6.676 A49H-N 120.449 7.814 L50H-N 120.427 8.484 R51H-N 118.902 8.254 E52H-N 116.705 8.004 A53H-N 123.844 8.902 G54H-N 107.44 9.226 D55H-N 124.089 8.673 E56H-N 121.669 8.282 F57H-N 122.187 8.7 E58H-N 118.258 8.695 L59H-N 118.684 7.941 R60H-N 117.228 7.587 A64H-N 121.699 8.076 F65H-N 115.362 8.191 S66H-N 115.192 7.835 D67H-N 124.04 8.483 L68H-N 122.447 9.025 T69H-N 110.572 9.007 S70H-N 117.644 7.771 Q71H-N 119.347 7.937 Q71HE21-NE2 111.394 7.39 Q71HE22-NE2 111.394 6.776 L72H-N 115.012 7.715 H73H-N 118.079 7.586 I74H-N 118.488 8.404 T75H-N 115.051 7.299 T78H-N 108.623 7.625 A79H-N 125.564 7.846 Y80H-N 117.955 8.873 Q81H-N 117.8 8.079 Q81HE21-NE2 111.806 6.904 Q81HE22-NE2 111.806 7.646 S82H-N 115.757 7.853 F83H-N 122.569 8.462 E84H-N 117.917 8.582 Q85H-N 116.9 7.818 Q85HE21-NE2 110.844 6.781 Q85HE22-NE2 110.844 7.458 V86H-N 118.352 7.657 V87H-N 116.931 7.916 N88H-N 116.208 8.23 N88HD21-ND2 111.247 6.928 N88HD22-ND2 111.247 7.501 E89H-N 118.588 7.16 L90H-N 123.828 8.101 F91H-N 108.652 6.874 R92H-N 123.523 7.316 D93H-N 113.434 8.421 G94H-N 107.775 7.223 V95H-N 116.918 7.787 N96H-N 115.062 6.26 N96HD21-ND2 114.852 7.454 N96HD22-ND2 114.852 7.305 W97H-N 118.322 8.209 W97HE1-NE1 128.936 10.375 G98H-N 107.029 8.659 R99H-N 120.209 8.456 I100H-N 120.631 7.877 V101H-N 122.801 8.473 A102H-N 123.57 8.161 F103H-N 119.592 8.214 F104H-N 119.761 8.273 S105H-N 114.438 8.561 F106H-N 123.952 9.08 G107H-N 106.596 8.066 G108H-N 107.141 8.92 A109H-N 124.542 8.203 L110H-N 118.736 8.374 C111H-N 119.289 8.229 V112H-N 118.073 7.997 E113H-N 119.385 8.224 S114H-N 113.849 7.843 V115H-N 121.112 7.258 D116H-N 122.079 8.13 K117H-N 115.679 7.784 E118H-N 113.466 7.853 M119H-N 119.276 8.73 Q120H-N 119.394 8.922 Q120HE21-NE2 111.269 7.587 Q120HE22-NE2 111.269 7.061 V121H-N 118.291 7.959 L122H-N 116.05 8.003 V123H-N 119.994 7.433 S124H-N 110.534 8.579 R125H-N 121.901 6.537 I126H-N 118.185 8.138 A127H-N 118.582 7.372 A128H-N 120.589 7.119 W129H-N 121.711 8.934 W129HE1-NE1 127.946 9.905 M130H-N 117.93 9.051 A131H-N 121.765 8.563 T132H-N 115.132 8.756 Y133H-N 122.937 8.286 L134H-N 119.448 8.719 N135H-N 116.57 8.496 N135HD21-ND2 112.35 7.704 N135HD22-ND2 112.35 7.03 D136H-N 115.542 8.573 H137H-N 113.432 7.957 L138H-N 117.772 7.235 E139H-N 121.781 8.691 W141H-N 117.988 7.126 W141HE1-NE1 129.636 9.555 I142H-N 122.78 8.451 Q143H-N 116.654 8.579 Q143HE21-NE2 112.755 6.855 Q143HE22-NE2 112.755 8.006 E144H-N 119.086 7.515 N145H-N 117.324 7.157 N145HD21-ND2 115.771 6.137 N145HD22-ND2 115.771 5.961 G146H-N 105.257 7.477 G147H-N 108.817 8.591 W148H-N 118.448 8.76 W148HE1-NE1 129.19 10.601 D149H-N 118.019 8.884 T150H-N 117.895 7.629 F151H-N 122.344 6.603 V152H-N 118.294 8.111 E153H-N 121.03 7.62 L154H-N 116.604 7.638 Y155H-N 114.594 8.41 G156H-N 109.181 8.291 N157H-N 118.723 8.696 N157HD21-ND2 113.198 7.721 N157HD22-ND2 113.198 6.888 N158H-N 119.472 8.624 N158HD21-ND2 113.206 6.923 N158HD22-ND2 113.206 7.672 A159H-N 123.431 8.122 A160H-N 121.756 8.267 A161H-N 122.47 8.016 E162H-N 118.796 8.317 S163H-N 115.527 8.153 R164H-N 122.191 8.052 K165H-N 121.375 8.153 G166H-N 109.574 8.467 Q167H-N 119.816 8.156 Q167HE21-NE2 112.097 6.866 Q167HE22-NE2 112.097 7.574 E168H-N 121.814 8.551 R169H-N 121.365 8.3 L170H-N 123.133 8.194