Assignment w1 w2 N3H-N 127.645 8.617 T5H-N 116.033 8.71 V6H-N 121.033 8.698 F7H-N 119.945 8.886 F8H-N 117.751 9.476 D9H-N 125.127 9.22 I10H-N 125.19 8.966 A11H-N 133.328 9.544 V12H-N 119.262 8.882 D13H-N 131.829 9.781 G14H-N 102.505 8.475 E15H-N 124.109 7.974 L17H-N 126.893 9.122 G18H-N 103.33 7.178 R19H-N 122.024 8.28 V20H-N 127.813 9.301 S21H-N 121.151 8.675 F22H-N 120.125 9.471 E23H-N 123.827 8.607 L24H-N 123.581 8.155 F25H-N 125.144 8.734 A26H-N 130.087 8.317 D27H-N 115.089 8.96 K28H-N 118.973 7.477 V29H-N 115.996 8.343 K31H-N 124.617 10.599 T32H-N 124.83 10.212 A33H-N 126.385 9.19 E34H-N 118.096 7.96 N35H-N 116.408 7.047 F36H-N 118.647 6.918 R37H-N 121.927 8.852 A38H-N 119.902 8.609 L39H-N 121.581 8.082 S40H-N 120.041 7.83 T41H-N 109.287 7.898 G42H-N 109.2 7.509 E43H-N 119.537 7.946 K44H-N 119.308 9.034 G45H-N 106.406 7.866 F46H-N 114.529 6.348 G47H-N 105.559 7.702 Y48H-N 114.684 6.843 K49H-N 125.91 8.429 G50H-N 118.707 9.375 S51H-N 117.235 8.279 C52H-N 116.002 9.935 F53H-N 124.23 8.634 H54H-N 120.971 7.466 R55H-N 123.306 6.949 I56H-N 126.615 9.029 I57H-N 128.658 8.564 G59H-N 114.812 9.597 F60H-N 119.918 8.104 M61H-N 112.586 7.992 C62H-N 115.344 8.317 Q63H-N 126.898 9.413 G64H-N 111.342 7.153 G65H-N 106.33 9.416 D66H-N 124.959 9.88 F67H-N 116.722 6.594 T68H-N 109.692 7.215 R69H-N 122.847 8.591 H70H-N 112.025 6.524 N71H-N 113.261 7.417 G72H-N 111.5 9.614 T73H-N 112.951 7.867 G74H-N 114.845 8.644 G75H-N 109.831 8.037 K76H-N 116.314 6.927 S77H-N 115.106 7.676 I78H-N 112.159 8.491 Y79H-N 121.61 7.963 G80H-N 107.314 7.027 K82H-N 113.167 7.768 F83H-N 117.387 9.076 E84H-N 120.386 9.186 D85H-N 119.608 8.525 E86H-N 132.466 9.381 N87H-N 107.851 6.969 F88H-N 113.832 8.258 I89H-N 120.539 8.189 L90H-N 118.564 7.622 K91H-N 119.664 8.215 H92H-N 122.829 10.304 T93H-N 111.114 7.038 G94H-N 108.011 7.274 G96H-N 111.81 8.797 V97H-N 121.285 7.836 L98H-N 128.402 7.476 T99H-N 120.829 8.413 M100H-N 126.692 8.51 A101H-N 125.539 7.961 N102H-N 114.017 7.607 A103H-N 124.6 8.748 G104H-N 109.97 8.025 N106H-N 119.877 8.772 T107H-N 111.028 10.054 N108H-N 121.408 7.276 G109H-N 111.723 9.019 S110H-N 117.886 8.706 Q111H-N 125.203 8.282 F112H-N 118.059 7.974 F113H-N 117.087 9.636 I114H-N 119.522 9.0 S115H-N 124.055 9.618 T116H-N 113.577 8.599 A117H-N 123.44 7.679 K118H-N 121.092 8.702 T119H-N 119.154 7.173 E120H-N 125.798 9.249 W121H-N 118.906 7.167 W121HE1-NE1 131.061 9.567 L122H-N 120.33 6.884 D123H-N 122.78 7.615 G124H-N 111.936 9.497 K125H-N 116.193 7.678 H126H-N 121.223 7.644 V127H-N 125.253 8.158 V128H-N 133.887 9.309 F129H-N 118.64 8.13 G130H-N 111.212 7.263 K131H-N 117.107 8.371 V132H-N 123.817 9.109 K133H-N 132.807 9.412 E134H-N 119.189 7.493 G135H-N 108.922 8.622 M136H-N 123.482 8.78 N137H-N 115.214 8.828 I138H-N 125.055 7.588 V139H-N 122.923 7.176 E140H-N 118.127 8.233 A141H-N 122.029 7.446 M142H-N 118.545 8.205 E143H-N 117.553 7.775 R144H-N 115.242 6.947 F145H-N 116.296 7.6 G146H-N 105.574 7.465 S147H-N 110.831 8.066 R148H-N 121.112 8.794 N149H-N 112.671 7.841 G150H-N 111.176 7.999 K151H-N 120.753 7.468 T152H-N 117.51 8.777 S153H-N 117.985 9.347 K154H-N 120.033 7.45 K155H-N 122.696 8.723 I156H-N 135.201 9.531 T157H-N 117.907 9.182 I158H-N 122.394 8.519 A159H-N 133.304 8.803 D160H-N 112.348 7.989 C161H-N 116.988 8.52 G162H-N 105.002 6.749 Q163H-N 121.792 9.001 L164H-N 126.912 8.545 E165H-N 126.926 8.064 V2H-N 124.193 8.507 N3H-N 128.004 8.735 T5H-N 116.01 8.76 V6H-N 120.723 8.681 F7H-N 119.839 8.896 F8H-N 117.731 9.511 D9H-N 125.195 9.247 I10H-N 125.248 9.002 A11H-N 133.519 9.57 V12H-N 119.287 8.863 D13H-N 132.023 9.823 G14H-N 102.444 8.51 E15H-N 124.199 7.971 L17H-N 127.056 9.131 G18H-N 103.455 7.159 R19H-N 122.034 8.355 V20H-N 128.02 9.326 S21H-N 121.317 8.713 F22H-N 119.941 9.47 E23H-N 123.811 8.586 L24H-N 123.633 8.18 F25H-N 125.4 8.772 A26H-N 130.355 8.346 D27H-N 115.15 8.928 K28H-N 119.014 7.483 V29H-N 116.285 8.383 K31H-N 124.831 10.635 T32H-N 125.028 10.235 A33H-N 126.538 9.201 E34H-N 117.908 7.958 N35H-N 116.423 7.016 F36H-N 118.695 6.893 R37H-N 122.074 8.864 A38H-N 119.886 8.599 L39H-N 121.748 8.097 S40H-N 120.246 7.819 T41H-N 109.252 7.885 G42H-N 109.195 7.502 E43H-N 119.544 7.955 K44H-N 119.48 9.084 G45H-N 106.495 7.88 F46H-N 114.613 6.33 G47H-N 105.669 7.768 Y48H-N 114.725 6.817 K49H-N 126.127 8.453 G50H-N 118.907 9.406 S51H-N 117.396 8.275 C52H-N 116.065 10.017 F53H-N 124.501 8.675 H54H-N 120.957 7.408 R55H-N 123.653 6.921 I56H-N 126.731 9.085 I57H-N 128.699 8.556 G59H-N 114.954 9.62 F60H-N 120.235 8.126 M61H-N 112.584 7.971 C62H-N 115.105 8.293 Q63H-N 127.033 9.41 G64H-N 111.418 7.092 G65H-N 106.338 9.543 D66H-N 125.103 9.906 F67H-N 116.766 6.615 T68H-N 109.652 7.177 R69H-N 122.912 8.59 H70H-N 111.929 6.477 N71H-N 113.218 7.378 G72H-N 111.751 9.64 T73H-N 113.184 7.877 G74H-N 114.981 8.664 G75H-N 109.965 8.096 K76H-N 116.266 6.917 S77H-N 115.12 7.666 I78H-N 112.061 8.513 Y79H-N 121.856 8.005 G80H-N 107.453 7.0 E81H-N 124.545 8.969 K82H-N 113.226 7.834 F83H-N 117.32 9.101 E84H-N 120.437 9.193 D85H-N 119.622 8.571 E86H-N 132.887 9.45 N87H-N 107.8 6.964 F88H-N 113.722 8.311 I89H-N 120.645 8.221 L90H-N 118.491 7.623 K91H-N 119.672 8.295 H92H-N 122.832 10.304 T93H-N 111.159 7.015 G94H-N 108.203 7.267 G96H-N 112.076 8.774 V97H-N 121.582 7.885 L98H-N 128.514 7.435 T99H-N 120.903 8.409 M100H-N 126.803 8.5 A101H-N 125.761 8.026 N102H-N 113.927 7.726 A103H-N 124.643 8.761 G104H-N 110.001 7.999 N106H-N 119.891 8.761 T107H-N 111.412 10.128 N108H-N 121.556 7.275 G109H-N 111.9 9.053 S110H-N 118.026 8.744 Q111H-N 125.328 8.329 F112H-N 118.095 7.964 F113H-N 117.087 9.643 I114H-N 119.569 9.041 S115H-N 124.134 9.68 T116H-N 113.311 8.628 A117H-N 123.581 7.691 K118H-N 121.331 8.8 T119H-N 119.285 7.146 E120H-N 126.184 9.343 W121H-N 119.117 7.163 W121HE1-NE1 131.245 9.574 L122H-N 120.401 6.892 D123H-N 122.88 7.624 G124H-N 112.074 9.51 K125H-N 116.04 7.648 H126H-N 121.258 7.651 V127H-N 125.473 8.166 V128H-N 134.035 9.403 F129H-N 118.711 8.124 G130H-N 111.368 7.265 K131H-N 117.202 8.381 V132H-N 123.752 9.152 K133H-N 133.072 9.446 E134H-N 119.346 7.502 G135H-N 108.969 8.675 M136H-N 123.678 8.846 N137H-N 115.447 8.861 I138H-N 125.301 7.581 V139H-N 123.124 7.185 E140H-N 118.253 8.278 A141H-N 122.166 7.449 M142H-N 118.929 8.247 E143H-N 117.751 7.815 R144H-N 115.044 6.908 F145H-N 116.387 7.615 G146H-N 105.548 7.467 S147H-N 110.914 8.102 R148H-N 121.155 8.833 N149H-N 112.753 7.874 G150H-N 111.437 7.986 K151H-N 120.91 7.519 T152H-N 118.093 8.866 S153H-N 117.963 9.399 K154H-N 120.198 7.466 K155H-N 122.57 8.729 I156H-N 135.623 9.587 T157H-N 117.65 9.197 I158H-N 122.224 8.525 A159H-N 133.187 8.811 D160H-N 112.454 7.984 C161H-N 117.08 8.507 G162H-N 105.249 6.744 Q163H-N 121.93 9.071 L164H-N 127.034 8.544 E165H-N 127.15 8.137