Assignment w1 w2 I3H-N 123.186 8.341 L4H-N 127.223 8.273 R5H-N 121.554 8.082 Y6H-N 122.003 8.221 L7H-N 122.178 8.001 M8H-N 120.699 8.743 D9H-N 124.231 8.518 D11H-N 118.037 8.422 T12H-N 119.303 7.976 F13H-N 123.093 8.089 T14H-N 117.234 9.179 N16H-N 115.822 7.351 F17H-N 117.424 8.369 N18H-N 114.93 5.81 N19H-N 124.766 7.064 L22H-N 118.686 7.882 R27H-N 120.018 8.873 Q28H-N 120.931 7.945 Q28HE21-NE2 112.549 7.45 Q28HE22-NE2 112.549 6.8 T29H-N 118.34 8.478 Y30H-N 122.737 8.239 L31H-N 126.552 9.149 C32H-N 126.038 9.616 Y33H-N 121.248 9.008 E34H-N 112.301 8.663 V35H-N 119.53 8.003 E36H-N 124.066 9.218 R37H-N 123.148 9.498 L38H-N 128.146 8.494 D39H-N 130.257 9.028 N40H-N 124.549 9.225 N40HD21-ND2 113.323 7.602 N40HD22-ND2 113.323 6.811 G41H-N 102.231 7.92 T42H-N 117.201 7.533 W43H-N 126.145 8.345 W43HE1-NE1 127.933 9.868 V44H-N 126.841 9.665 L45H-N 129.538 8.813 M46H-N 127.108 9.058 D47H-N 123.525 8.453 Q48H-N 117.094 9.256 Q48HE21-NE2 112.315 6.8 Q48HE22-NE2 112.315 7.551 H49H-N 122.876 8.044 M50H-N 115.255 7.214 G51H-N 107.631 7.375 F52H-N 114.263 8.273 L53H-N 121.234 9.466 E56H-N 123.214 7.55 A57H-N 129.135 8.582 K58H-N 120.448 8.313 L61H-N 120.209 8.167 C62H-N 114.525 7.511 G63H-N 109.056 7.855 F64H-N 118.891 7.692 Y65H-N 124.21 8.525 G66H-N 117.422 6.756 R67H-N 122.09 8.254 H68H-N 127.069 8.855 A69H-N 125.257 8.858 E70H-N 119.308 12.412 L71H-N 115.282 6.872 R72H-N 118.009 7.627 F73H-N 117.57 7.629 L74H-N 119.277 7.611 D75H-N 118.435 8.193 L76H-N 118.078 7.263 V77H-N 120.358 7.153 S79H-N 112.771 7.82 L80H-N 120.938 7.927 Q81H-N 111.204 7.421 Q81HE21-NE2 112.025 7.478 Q81HE22-NE2 112.025 6.808 L82H-N 118.584 8.734 D83H-N 126.567 8.512 A85H-N 121.12 8.519 Q86H-N 119.861 8.167 Q86HE21-NE2 113.598 6.879 Q86HE22-NE2 113.598 7.735 I87H-N 119.418 8.254 Y88H-N 122.149 8.887 R89H-N 121.534 9.281 V90H-N 132.569 9.62 T91H-N 124.236 8.94 W92H-N 124.146 8.819 W92HE1-NE1 118.977 5.505 F93H-N 123.133 9.588 I94H-N 124.985 9.827 S95H-N 124.281 9.048 W96H-N 115.681 6.459 W96HE1-NE1 128.067 9.874 S97H-N 115.112 8.48 C99H-N 122.664 8.766 F100H-N 114.96 9.259 S101H-N 119.607 10.846 W102H-N 117.829 7.873 W102HE1-NE1 130.234 10.192 G103H-N 106.297 7.4 C104H-N 120.571 7.358 A105H-N 119.471 8.734 G106H-N 103.828 8.54 E107H-N 122.953 7.932 V108H-N 121.958 8.852 R109H-N 120.481 8.598 A110H-N 120.656 7.805 F111H-N 119.016 8.096 L112H-N 120.19 8.584 Q113H-N 117.637 8.145 Q113HE21-NE2 110.962 6.724 Q113HE22-NE2 110.962 7.504 E114H-N 115.33 7.407 N115H-N 119.761 7.571 T116H-N 111.09 8.084 H117H-N 120.714 9.387 V118H-N 120.178 7.411 R119H-N 124.843 8.815 L120H-N 124.727 9.287 R121H-N 127.814 8.99 I122H-N 123.423 8.927 F123H-N 126.45 9.301 A124H-N 124.63 9.081 A125H-N 126.617 9.023 R126H-N 108.127 6.799 Y128H-N 130.482 8.888 D129H-N 123.641 8.031 Y130H-N 116.707 6.419 D131H-N 117.15 6.933 L133H-N 120.366 8.428 Y134H-N 117.496 7.965 K135H-N 122.215 7.465 E136H-N 121.948 8.792 A137H-N 119.888 7.709 L138H-N 116.305 7.185 Q139H-N 117.427 8.38 Q139HE21-NE2 109.162 6.72 Q139HE22-NE2 109.162 7.364 M140H-N 118.633 8.199 L141H-N 118.447 7.929 R142H-N 121.087 7.966 D143H-N 122.652 8.912 A144H-N 120.08 7.702 G145H-N 105.035 7.957 A146H-N 124.383 8.029 Q147H-N 122.313 7.985 Q147HE21-NE2 111.501 7.354 Q147HE22-NE2 111.501 6.697 V148H-N 127.638 8.612 S149H-N 120.787 8.695 I150H-N 122.695 8.579 M151H-N 123.789 8.28 T152H-N 117.767 9.508 Y153H-N 121.582 9.675 D154H-N 114.837 8.229 E155H-N 116.923 7.399 F156H-N 119.451 7.957 E157H-N 118.637 8.208 Y158H-N 115.934 7.383 C159H-N 118.067 7.881 W160H-N 122.705 7.921 W160HE1-NE1 131.413 10.105 D161H-N 113.558 8.024 T162H-N 114.94 7.409 F163H-N 114.617 8.225 V164H-N 118.164 6.517 Y165H-N 128.633 8.813 R166H-N 114.926 7.79 Q167H-N 120.688 8.673 G168H-N 105.285 8.234 C169H-N 121.189 7.706 F171H-N 121.862 9.252 Q172H-N 128.925 7.237 Q172HE21-NE2 112.509 6.789 Q172HE22-NE2 112.509 7.31 W174H-N 117.71 5.52 W174HE1-NE1 129.307 10.169 D175H-N 121.753 8.776 G176H-N 111.636 8.89 L177H-N 120.23 6.994 E178H-N 119.663 9.31 E179H-N 122.734 8.396 S181H-N 115.853 8.579 Q182H-N 122.66 8.651 Q182HE21-NE2 111.721 7.621 Q182HE22-NE2 111.721 6.87 A183H-N 124.294 8.287 L184H-N 120.46 8.683 S185H-N 117.035 8.96 G186H-N 110.044 8.21 R187H-N 123.155 7.825 L188H-N 119.791 8.787 R189H-N 118.555 8.261 A190H-N 119.354 7.399 I191H-N 118.967 7.84 L192H-N 116.267 8.299 Q193H-N 118.372 7.928 N194H-N 118.58 8.119 N194HD21-ND2 112.843 6.912 N194HD22-ND2 112.843 7.58 Q195H-N 120.784 8.497 Q195HE21-NE2 112.108 6.851 Q195HE22-NE2 112.108 7.497 G196H-N 109.559 8.434 N197H-N 118.659 8.357 N197HD21-ND2 112.636 6.885 N197HD22-ND2 112.636 7.592 L198H-N 122.433 8.259 E199H-N 121.077 8.306 H200H-N 119.501 8.331 H204H-N 120.159 8.233 H205H-N 125.601 8.044 I3H-N 123.218 8.347 L4H-N 127.215 8.269 R5H-N 121.584 8.105 Y6H-N 121.96 8.231 L7H-N 122.011 7.958 M8H-N 120.766 8.73 D11H-N 118.27 8.443 T12H-N 118.949 7.896 F13H-N 123.178 8.0 T14H-N 116.295 9.066 F17H-N 117.493 8.424 N18H-N 114.115 5.915 N19H-N 123.717 7.109 R27H-N 120.085 8.997 Y30H-N 122.451 8.261 L31H-N 125.688 9.214 C32H-N 125.975 9.661 Y33H-N 121.163 9.005 E34H-N 112.564 8.698 V35H-N 119.658 8.067 E36H-N 124.205 9.241 R37H-N 123.253 9.504 L38H-N 128.193 8.508 D39H-N 130.406 9.028 N40H-N 124.532 9.241 N40HD21-ND2 113.376 7.614 N40HD22-ND2 113.376 6.823 G41H-N 102.248 7.949 T42H-N 117.2 7.535 W43H-N 126.26 8.348 W43HE1-NE1 128.022 9.876 V44H-N 126.785 9.666 L45H-N 129.641 8.829 M46H-N 126.813 9.023 Q48H-N 117.072 9.265 Q48HE22-NE2 112.424 7.565 H49H-N 122.721 8.026 M50H-N 115.277 7.211 G51H-N 107.795 7.448 F52H-N 114.277 8.309 L53H-N 120.381 9.501 E56H-N 123.128 7.541 K58H-N 120.204 8.312 L61H-N 120.287 8.161 C62H-N 114.751 7.514 G63H-N 109.375 7.876 F64H-N 119.131 7.755 Y65H-N 124.339 8.51 G66H-N 117.471 6.796 R67H-N 121.978 8.246 H68H-N 126.825 8.999 A69H-N 125.783 8.801 E70H-N 119.645 12.559 L71H-N 115.243 6.632 R72H-N 118.084 7.585 F73H-N 117.64 7.669 L74H-N 119.582 7.674 D75H-N 118.502 8.195 L76H-N 117.894 7.274 V77H-N 120.464 7.166 S79H-N 112.744 7.812 L80H-N 121.001 7.918 Q81H-N 111.133 7.419 Q81HE21-NE2 112.102 6.818 Q81HE22-NE2 112.102 6.818 L82H-N 118.577 8.723 D83H-N 126.723 8.524 A85H-N 121.148 8.522 Q86H-N 119.837 8.158 Q86HE21-NE2 113.654 6.887 Q86HE22-NE2 113.654 7.741 I87H-N 119.458 8.25 Y88H-N 122.072 8.9 R89H-N 121.445 9.28 V90H-N 132.433 9.612 T91H-N 124.183 8.943 W92H-N 124.322 8.808 W92HE1-NE1 119.176 5.52 F93H-N 122.85 9.568 I94H-N 124.898 9.807 S95H-N 124.505 9.078 W96H-N 115.107 6.625 W96HE1-NE1 128.824 9.982 S97H-N 115.312 8.549 C99H-N 122.383 8.686 F100H-N 114.927 9.276 S101H-N 119.64 10.856 W102H-N 118.214 7.895 W102HE1-NE1 130.424 10.18 G103H-N 106.212 7.421 C104H-N 120.44 7.314 A105H-N 119.658 8.681 G106H-N 103.909 8.543 E107H-N 122.593 7.905 V108H-N 121.936 8.888 R109H-N 120.641 8.634 A110H-N 120.719 7.844 F111H-N 118.999 8.094 L112H-N 120.64 8.585 Q113H-N 117.765 8.173 Q113HE21-NE2 110.924 6.732 Q113HE22-NE2 110.924 7.519 E114H-N 115.492 7.441 N115H-N 119.804 7.582 T116H-N 111.069 8.083 H117H-N 120.816 9.396 V118H-N 120.275 7.427 R119H-N 124.982 8.821 L120H-N 124.725 9.285 R121H-N 127.44 8.982 I122H-N 123.363 8.929 F123H-N 126.454 9.286 A125H-N 126.23 9.08 R126H-N 108.09 6.625 Y128H-N 130.037 8.8 D129H-N 123.609 8.021 Y130H-N 117.051 6.372 D131H-N 116.912 6.927 L133H-N 120.317 8.425 Y134H-N 117.543 7.976 K135H-N 122.041 7.472 E136H-N 121.984 8.815 A137H-N 119.856 7.708 L138H-N 116.354 7.165 Q139H-N 117.493 8.425 Q139HE21-NE2 109.137 6.722 Q139HE22-NE2 109.137 7.377 M140H-N 118.633 8.196 R142H-N 121.304 7.968 D143H-N 122.709 8.899 A144H-N 120.138 7.71 G145H-N 105.125 7.96 A146H-N 124.304 8.035 Q147H-N 122.425 7.97 Q147HE21-NE2 111.554 7.353 Q147HE22-NE2 111.554 6.702 V148H-N 127.711 8.631 S149H-N 120.698 8.683 I150H-N 123.101 8.635 M151H-N 123.844 8.308 T152H-N 117.835 9.551 Y153H-N 121.684 9.719 D154H-N 114.944 8.188 E155H-N 117.212 7.426 F156H-N 119.718 7.954 E157H-N 118.553 8.222 Y158H-N 115.871 7.385 C159H-N 118.588 7.893 W160H-N 122.762 7.855 W160HE1-NE1 131.481 10.142 D161H-N 113.412 8.005 T162H-N 115.014 7.429 F163H-N 114.655 8.251 V164H-N 118.167 6.518 Y165H-N 128.485 8.724 R166H-N 114.844 7.539 G168H-N 105.509 8.253 C169H-N 121.255 7.711 F171H-N 121.875 9.18 Q172H-N 128.613 7.112 Q172HE21-NE2 112.604 6.798 Q172HE22-NE2 112.604 7.316 W174H-N 117.46 5.504 W174HE1-NE1 129.326 10.096 D175H-N 121.786 8.803 G176H-N 112.201 8.989 L177H-N 121.086 7.117 E178H-N 120.338 9.355 E179H-N 122.412 8.331 S181H-N 115.925 8.593 Q182H-N 122.417 8.65 Q182HE21-NE2 111.784 7.646 Q182HE22-NE2 111.784 6.866 A183H-N 124.627 8.26 L184H-N 120.589 8.675 S185H-N 116.937 8.852 G186H-N 110.271 8.201 R187H-N 123.035 7.847 L188H-N 119.836 8.765 R189H-N 118.754 8.221 A190H-N 119.354 7.384 L192H-N 116.326 8.303 Q193H-N 118.443 7.959 N194H-N 118.694 8.108 N194HD21-ND2 112.899 6.921 N194HD22-ND2 112.899 7.585 Q195H-N 120.841 8.505 Q195HE21-NE2 112.214 6.851 Q195HE22-NE2 112.214 7.498 G196H-N 109.61 8.445 N197H-N 118.625 8.358 N197HD21-ND2 112.71 6.892 N197HD22-ND2 112.71 7.604 L198H-N 122.451 8.261 E199H-N 121.075 8.314 H200H-N 119.293 8.458 H204H-N 119.965 8.219 H205H-N 125.611 8.035