Assignment w1 w2 D2H-N 121.794 8.407 I3H-N 123.607 8.523 Q4H-N 127.906 8.557 M5H-N 121.865 8.742 T6H-N 121.11 9.217 Q7H-N 133.166 9.648 S8H-N 121.805 9.117 S10H-N 116.222 9.112 S11H-N 115.913 7.708 L12H-N 123.76 8.937 S13H-N 118.725 8.539 A14H-N 127.837 9.033 S15H-N 118.543 8.78 V16H-N 123.162 8.417 G17H-N 118.264 9.794 D18H-N 122.368 7.945 V20H-N 121.871 8.47 T21H-N 117.733 7.954 I22H-N 127.948 9.082 T23H-N 118.522 8.851 C24H-N 122.636 9.642 K25H-N 125.118 8.861 A26H-N 131.077 9.584 S27H-N 114.051 8.337 Q28H-N 116.515 7.337 D29H-N 119.11 8.301 Y33H-N 125.342 7.805 M34H-N 123.137 7.3 A35H-N 130.111 9.16 Y37H-N 121.35 9.785 Q38H-N 122.076 9.391 D39H-N 131.984 9.539 K40H-N 126.517 8.067 G42H-N 111.147 8.685 K43H-N 119.121 7.338 A44H-N 123.423 8.129 T52H-N 108.614 9.26 S53H-N 114.607 8.65 T54H-N 123.131 8.591 L55H-N 130.514 8.505 Q56H-N 125.074 7.918 S57H-N 119.483 8.047 G58H-N 114.761 8.724 V59H-N 125.099 7.643 S61H-N 113.7 8.336 R62H-N 117.196 6.878 F63H-N 120.767 7.527 S64H-N 113.562 8.645 G65H-N 111.777 8.862 S66H-N 115.723 8.841 G67H-N 110.977 8.22 S68H-N 111.057 7.377 G69H-N 111.993 8.999 R70H-N 129.702 9.226 D71H-N 119.743 7.535 Y72H-N 122.47 8.839 T73H-N 115.561 8.885 L74H-N 128.28 8.557 T75H-N 123.342 8.873 I76H-N 126.767 8.551 S77H-N 121.349 8.564 N78H-N 116.471 6.996 L79H-N 119.927 8.174 E80H-N 126.465 9.007 E82H-N 113.759 8.683 D83H-N 119.851 8.393 F84H-N 122.06 7.166 A85H-N 128.497 7.698 T86H-N 115.456 7.856 Y87H-N 124.974 8.772 Y88H-N 120.889 9.573 C89H-N 118.059 7.654 L90H-N 124.207 8.406 Q91H-N 125.187 8.248 T97H-N 112.079 7.718 F98H-N 126.922 8.889 G99H-N 107.651 8.994 G100H-N 104.953 8.202 G101H-N 106.831 7.015 T102H-N 116.972 7.921 K103H-N 130.843 8.264 V104H-N 129.185 8.637 E105H-N 128.83 9.078 I106H-N 123.193 8.662 K107H-N 128.469 7.978 T109H-N 109.293 7.58 V110H-N 122.918 8.327 A111H-N 131.677 9.574 A112H-N 125.836 8.72 S114H-N 116.238 8.258 V115H-N 125.57 8.05 F116H-N 125.155 9.016 I117H-N 120.233 8.11 F118H-N 124.499 9.135 S121H-N 119.355 9.427 D122H-N 124.043 8.85 E123H-N 119.004 8.936 Q124H-N 121.426 7.655 L125H-N 121.764 7.8 K126H-N 118.189 7.611 S127H-N 114.43 7.916 G128H-N 108.368 7.904 T129H-N 116.875 7.449 A130H-N 122.037 8.596 S131H-N 117.256 7.469 V132H-N 127.212 9.104 V133H-N 125.695 7.953 C134H-N 128.093 9.725 L135H-N 128.661 9.416 L136H-N 128.225 9.543 N137H-N 122.937 9.423 N138H-N 123.051 8.295 F139H-N 117.06 9.24 Y140H-N 120.395 9.357 R142H-N 118.051 8.361 E143H-N 117.118 7.39 A144H-N 125.922 7.617 K145H-N 122.084 8.199 V146H-N 126.239 8.663 Q147H-N 126.331 8.906 W148H-N 124.354 9.063 K149H-N 122.121 9.33 V150H-N 123.251 8.14 D151H-N 131.551 9.848 N152H-N 109.476 9.024 A153H-N 123.772 7.867 L154H-N 128.588 8.759 Q155H-N 124.832 8.46 S156H-N 117.794 8.476 G157H-N 112.675 8.628 N158H-N 115.765 8.112 S159H-N 111.07 7.695 Q160H-N 117.533 8.044 E161H-N 124.752 8.927 S162H-N 115.311 8.622 V163H-N 125.847 8.368 T164H-N 115.987 8.581 E165H-N 116.712 8.122 D167H-N 127.232 8.961 S168H-N 122.373 8.683 K169H-N 121.654 8.604 D170H-N 117.129 8.465 S171H-N 108.988 7.666 T172H-N 107.863 7.668 Y173H-N 116.938 8.832 S174H-N 111.909 7.589 L175H-N 126.126 9.865 S176H-N 120.51 9.186 S177H-N 120.382 9.222 T178H-N 124.886 8.878 L179H-N 135.174 9.228 T180H-N 123.086 8.081 L181H-N 127.671 8.789 S182H-N 116.551 9.001 K183H-N 123.514 7.909 A184H-N 118.465 8.264 D185H-N 117.848 7.683 Y186H-N 122.098 8.657 E187H-N 114.663 7.991 K188H-N 117.456 7.192 H189H-N 115.229 6.958 K190H-N 122.79 9.343 V191H-N 120.082 8.476 Y192H-N 127.733 8.139 A193H-N 122.846 8.698 C194H-N 119.821 8.616 E195H-N 126.361 8.828 V196H-N 129.789 9.345 T197H-N 120.714 8.57 H198H-N 123.563 8.032 Q199H-N 126.336 8.151 L201H-N 122.08 8.022 S202H-N 119.353 8.831 S203H-N 115.126 7.525 V205H-N 124.1 8.475 T206H-N 122.599 8.408 K207H-N 127.345 8.58 S208H-N 116.84 8.541 F209H-N 116.375 8.69 N210H-N 118.862 8.71 R211H-N 127.415 9.659 G212H-N 114.188 9.012 E213H-N 120.681 7.879 C214H-N 125.023 8.147 Q4H-N 125.002 8.126 L5H-N 124.023 8.207 V6H-N 123.577 8.993 Q7H-N 129.898 9.513 S8H-N 114.818 7.963 G9H-N 107.912 8.549 A10H-N 120.234 8.017 E11H-N 119.374 8.346 V12H-N 124.988 8.664 K13H-N 126.155 8.766 K14H-N 119.552 8.293 G16H-N 113.867 10.062 S17H-N 117.0 7.571 S18H-N 111.617 7.898 V19H-N 118.83 8.338 K20H-N 129.021 8.278 V21H-N 128.117 8.752 S22H-N 118.673 9.113 C23H-N 121.559 8.687 K24H-N 132.656 9.215 A25H-N 132.827 8.766 S26H-N 113.071 8.626 G27H-N 107.422 8.53 Y28H-N 114.287 7.226 I29H-N 122.468 8.767 F30H-N 132.635 8.341 T31H-N 101.414 7.358 N32H-N 117.946 7.884 Y33H-N 115.147 7.039 H36H-N 126.367 9.343 W37H-N 118.775 8.227 V38H-N 122.929 9.119 K39H-N 129.658 9.415 K40H-N 128.983 9.265 S41H-N 124.623 8.581 G43H-N 107.457 8.505 Q44H-N 119.812 7.637 G45H-N 110.44 7.985 L46H-N 125.43 7.054 E47H-N 118.985 8.911 W48H-N 127.106 9.236 I49H-N 130.196 8.432 A51H-N 119.7 7.834 I52H-N 112.875 8.391 Y53H-N 128.558 8.551 N56H-N 114.829 7.028 G57H-N 109.881 8.529 D58H-N 122.918 8.342 A59H-N 125.623 7.89 Y61H-N 114.223 7.74 S62H-N 116.874 8.345 Q63H-N 126.784 9.775 K64H-N 116.976 8.323 F65H-N 113.701 7.623 Q66H-N 124.491 7.514 G67H-N 117.234 9.036 K68H-N 122.136 7.583 A69H-N 119.77 7.604 T70H-N 115.008 8.628 L71H-N 131.415 8.789 T72H-N 111.654 8.464 A73H-N 121.825 8.977 D74H-N 121.327 9.14 T75H-N 117.368 9.069 S76H-N 119.538 8.636 T77H-N 108.59 6.897 S78H-N 117.64 7.23 T79H-N 112.343 7.213 T80H-N 118.363 8.524 Y81H-N 120.068 8.876 E83H-N 128.606 8.623 L84H-N 127.61 8.619 S85H-N 116.452 7.965 S86H-N 115.369 8.483 L87H-N 118.52 8.282 R88H-N 121.75 9.669 S89H-N 118.38 8.949 E90H-N 119.362 9.375 D91H-N 119.406 8.592 T92H-N 122.396 7.945 A93H-N 129.749 8.832 V94H-N 117.789 7.713 Y95H-N 124.521 8.751 A107H-N 122.082 7.166 Y108H-N 122.657 7.995 G112H-N 109.475 7.338 T113H-N 120.133 8.154 L114H-N 131.73 8.768 V115H-N 128.684 8.818 T116H-N 122.408 8.491 V117H-N 128.172 8.206 S118H-N 120.663 8.594 S119H-N 122.725 8.597 A120H-N 126.384 8.179 S121H-N 113.244 7.284 T122H-N 117.469 8.113 K123H-N 129.804 9.52 G124H-N 113.799 8.986 S126H-N 116.188 8.449 V127H-N 123.625 7.94 F128H-N 125.573 9.16 L130H-N 125.029 8.372 A131H-N 124.598 7.969 K135H-N 121.037 8.259 S136H-N 116.031 8.061 T137H-N 115.257 7.618 S138H-N 119.13 8.568 G139H-N 111.392 8.41 G140H-N 109.414 8.217 T141H-N 118.608 8.06 A142H-N 127.691 9.286 A143H-N 120.747 7.342 L144H-N 117.543 8.34 G145H-N 105.389 8.817 C146H-N 118.022 9.495 L147H-N 127.722 9.423 V148H-N 129.901 9.342 K149H-N 126.844 8.78 D150H-N 120.652 8.063 Y151H-N 114.214 7.765 F152H-N 120.571 9.248 V156H-N 115.22 7.798 T157H-N 117.138 8.329 V158H-N 124.401 8.669 S159H-N 123.193 8.816 W160H-N 120.103 9.188 N161H-N 126.021 10.415 S162H-N 112.381 9.64 G163H-N 106.019 7.751 A164H-N 121.374 7.671 L165H-N 119.849 7.145 T166H-N 114.784 8.565 S167H-N 120.751 8.028 G168H-N 113.393 8.586 V169H-N 119.834 6.911 H170H-N 125.101 9.255 T171H-N 124.125 8.826 F172H-N 128.64 8.622 A174H-N 127.32 9.073 V175H-N 118.641 8.735 L176H-N 127.674 8.574 Q177H-N 125.839 8.171 S179H-N 113.501 7.268 G180H-N 110.195 8.014 L181H-N 115.265 6.804 Y182H-N 122.89 9.063 S183H-N 111.754 8.229 L184H-N 125.836 9.465 S185H-N 114.388 7.296 S186H-N 116.481 8.611 V187H-N 123.335 9.138 V188H-N 121.476 8.887 T189H-N 115.052 7.174 V190H-N 117.731 8.617 S192H-N 125.286 9.02 S193H-N 116.268 8.493 S194H-N 116.889 7.824 L195H-N 122.675 7.366 G196H-N 107.588 8.687 T197H-N 110.325 7.459 Q198H-N 122.233 7.821 T199H-N 118.678 7.942 Y200H-N 127.124 9.228 I201H-N 124.049 8.875 C202H-N 123.532 8.606 N203H-N 123.055 8.901 V204H-N 126.632 9.247 N205H-N 126.13 8.591 H206H-N 126.511 8.842 K207H-N 128.138 8.986 S209H-N 116.77 8.663 N210H-N 121.08 8.154 T211H-N 113.884 7.777 K212H-N 129.825 8.488 V213H-N 124.784 8.634 D214H-N 126.962 8.264 K215H-N 125.041 8.618 K216H-N 128.233 8.496 V217H-N 129.591 8.973 E218H-N 127.208 8.499 K220H-N 123.566 8.503 S221H-N 120.27 8.58 C222H-N 122.808 8.636 D223H-N 122.726 8.396 K224H-N 122.149 8.257 T225H-N 114.84 8.125 H226H-N 121.198 8.235 T227H-N 121.038 7.889