Assignment w1 w2 E4H-N 125.83 8.512 V5H-N 116.15 7.49 I6H-N 118.79 8.549 E7H-N 121.64 8.05 I8H-N 122.69 8.589 D9H-N 128.22 9.543 G10H-N 103.37 8.683 K11H-N 119.6 7.652 Q12H-N 117.92 8.064 Q12HE21-NE2 110.2 7.27 Q12HE22-NE2 110.2 6.495 W13H-N 121.58 8.728 W13HE1-NE1 130.84 9.816 R14H-N 121.61 9.557 L15H-N 129.23 8.992 I16H-N 120.7 8.862 W17H-N 122.46 7.817 W17HE1-NE1 125.15 6.062 H18H-N 119.54 7.017 D19H-N 116.67 8.05 F21H-N 120.16 9.076 E22H-N 112.31 7.638 G23H-N 107.61 7.865 E25H-N 118.11 7.65 V26H-N 124.3 8.58 N27H-N 127.2 10.293 N27HD21-ND2 110.49 7.129 N27HD22-ND2 110.49 6.622 K28H-N 128.8 8.647 E29H-N 118.66 8.417 Y30H-N 113.52 7.073 W31H-N 112.61 7.25 W31HE1-NE1 130.95 11.914 T32H-N 117.28 8.996 F33H-N 124.12 8.66 E34H-N 122.09 8.669 K35H-N 121.31 8.458 G36H-N 110.79 8.945 N37H-N 123.29 10.096 N37HD21-ND2 108.91 8.158 N37HD22-ND2 108.91 6.449 G38H-N 108.63 8.247 I39H-N 122.75 7.27 A40H-N 122.62 7.967 Y41H-N 113.63 7.055 G42H-N 107.31 7.814 I43H-N 114.69 7.432 G45H-N 118.49 8.223 W46H-N 118.84 8.331 G47H-N 105.16 7.476 N48H-N 117.19 7.867 N48HD21-ND2 117.39 7.904 N48HD22-ND2 117.39 6.734 G49H-N 111.15 8.856 E50H-N 118.93 8.309 L51H-N 117.05 8.7 E52H-N 113.93 7.422 Y53H-N 122.77 8.51 Y54H-N 126.26 8.164 T55H-N 110.82 9.466 N57H-N 115.53 8.325 N58H-N 118.7 6.739 N58HD21-ND2 114.37 8.409 N58HD22-ND2 114.37 7.957 T59H-N 111.04 7.085 Y60H-N 121.1 8.582 I61H-N 119.45 8.29 V62H-N 124.3 8.758 G64H-N 103.33 8.659 T65H-N 112.36 8.178 L66H-N 124.75 8.469 V67H-N 128.29 8.934 I68H-N 125.3 8.444 E69H-N 127.32 8.829 A70H-N 128.57 9.379 R71H-N 119.61 8.986 K72H-N 122.8 8.383 E73H-N 128.32 7.657 I74H-N 119.83 7.461 I75H-N 128.3 8.639 T76H-N 120.56 8.14 D77H-N 127.16 8.754 N79H-N 113.52 8.558 E80H-N 116.85 8.257 G81H-N 106.65 8.782 T82H-N 116.75 7.521 F83H-N 125.79 9.023 L84H-N 118.45 9.092 Y85H-N 110.78 6.962 T86H-N 111.55 9.104 S87H-N 111.45 7.669 S88H-N 114.84 9.128 R89H-N 124.13 8.724 L90H-N 127.61 9.003 K91H-N 114.31 9.102 T92H-N 108.87 9.089 E93H-N 121.44 5.674 G94H-N 118.37 9.36 K95H-N 120.22 7.934 V96H-N 116.68 8.079 E97H-N 123.06 7.385 F98H-N 117.45 8.689 S99H-N 115.84 8.137 V102H-N 120.14 9.143 V103H-N 120.97 8.607 V104H-N 126.46 8.264 E105H-N 124.09 9.307 A106H-N 123.31 9.397 R107H-N 122.17 6.331 I108H-N 126.51 9.229 K109H-N 132.24 9.566 L110H-N 126.97 7.468 K112H-N 116.22 7.859 G113H-N 109.8 7.764 K114H-N 125.72 8.435 G115H-N 114.42 9.581 L116H-N 118.13 7.17 W117H-N 122.82 8.507 W117HE1-NE1 126.62 9.7 A119H-N 118.3 8.191 F120H-N 120.12 8.721 W121H-N 127.82 9.782 W121HE1-NE1 133.54 10.579 M122H-N 114.67 9.142 L123H-N 121.67 7.072 G124H-N 108.11 6.625 S125H-N 118.71 8.609 N126H-N 117.47 7.969 N126HD21-ND2 105.75 7.127 N126HD22-ND2 105.75 6.854 I127H-N 121.96 7.892 R128H-N 119.36 8.116 E129H-N 116.6 7.688 V130H-N 107.74 7.665 G131H-N 110.27 7.914 W132H-N 120.83 8.433 W132HE1-NE1 131.4 11.048 N134H-N 125.49 7.936 C135H-N 113.33 8.135 G136H-N 109.97 7.355 E137H-N 122.08 8.777 I138H-N 126.0 8.968 D139H-N 128.09 10.074 I140H-N 130.25 8.238 M141H-N 114.95 8.249 E142H-N 122.8 8.46 F143H-N 124.09 7.856 L144H-N 123.12 8.299 G145H-N 105.91 8.436 H146H-N 115.23 7.626 E147H-N 123.68 7.481 R149H-N 115.23 8.356 T150H-N 117.09 7.669 I151H-N 119.33 8.818 H152H-N 117.16 8.424 G153H-N 110.2 8.343 T154H-N 116.24 7.986 V155H-N 119.19 7.58 H156H-N 120.08 8.893 G157H-N 109.35 6.797 G159H-N 116.63 8.205 Y160H-N 119.77 7.661 S161H-N 111.69 7.168 G162H-N 116.51 11.453 K164H-N 120.13 7.663 G165H-N 105.27 7.307 I166H-N 121.5 8.121 T167H-N 125.09 7.97 R168H-N 127.14 8.143 A169H-N 124.89 7.756 Y170H-N 122.79 8.719 T171H-N 123.4 7.265 L172H-N 126.41 8.48 E174H-N 119.41 8.243 G175H-N 108.91 8.57 V176H-N 114.7 6.861 D178H-N 121.41 9.029 F179H-N 112.95 7.371 T180H-N 111.12 9.681 E181H-N 122.07 7.359 D182H-N 115.31 7.822 F183H-N 116.2 9.005 H184H-N 117.06 8.418 V185H-N 121.61 8.846 F186H-N 124.96 8.922 G187H-N 109.11 7.953 I188H-N 107.99 8.246 V189H-N 120.76 9.024 W190H-N 130.38 9.065 W190HE1-NE1 125.64 10.06 Y191H-N 123.36 9.544 D193H-N 109.74 8.155 K194H-N 120.05 7.88 I195H-N 123.67 8.931 K196H-N 123.17 8.83 W197H-N 124.81 8.825 W197HE1-NE1 128.73 10.144 Y198H-N 116.45 9.033 V199H-N 118.82 8.443 D200H-N 126.82 10.064 G201H-N 102.25 7.071 T202H-N 118.82 8.44 F203H-N 127.08 8.709 Y204H-N 116.88 8.403 H205H-N 119.51 7.305 V207H-N 123.24 8.94 T208H-N 114.46 8.021 K209H-N 123.17 7.369 E210H-N 116.69 8.274 Q211H-N 120.16 7.74 Q211HE21-NE2 112.07 7.037 Q211HE22-NE2 112.07 5.822 V212H-N 119.81 7.607 E213H-N 118.99 8.687 A214H-N 123.18 8.149 M215H-N 115.08 7.275 G216H-N 104.08 7.668 Y217H-N 119.18 7.152 E218H-N 118.72 8.524 W219H-N 127.78 9.742 W219HE1-NE1 130.38 10.693 V220H-N 115.08 5.205 F221H-N 116.08 4.819 D222H-N 119.29 8.54 K223H-N 119.07 7.309 F225H-N 123.94 9.529 Y226H-N 115.42 8.599 I227H-N 118.73 7.968 I228H-N 126.69 9.182 L229H-N 124.21 8.683 N230H-N 113.75 8.476 L231H-N 119.01 6.687 A232H-N 130.49 7.776 V233H-N 118.71 8.546 G234H-N 112.84 9.179 G235H-N 98.56 6.624 Y236H-N 119.02 7.764 W237H-N 117.29 7.884 W237HE1-NE1 128.02 9.618 G239H-N 105.8 7.069 N240H-N 113.28 7.736 D242H-N 120.77 8.076 T244H-N 108.29 8.756 T245H-N 124.14 7.774 F247H-N 118.32 7.75 A249H-N 127.41 9.046 K250H-N 119.5 8.442 M251H-N 125.48 9.117 V252H-N 126.15 8.329 V253H-N 128.26 9.947 D254H-N 124.68 9.374 Y255H-N 112.0 7.225 V256H-N 117.39 8.374 R257H-N 126.2 9.935 V258H-N 119.12 8.709 Y259H-N 126.03 9.403 S260H-N 114.95 9.893 F261H-N 125.45 7.345 V262H-N 125.93 7.799 S263H-N 116.33 7.337 G264H-N 116.16 7.662 G23H-N 107.9 7.91 Y60H-N 121.11 8.634 G64H-N 104.83 8.474 L66H-N 124.5 8.465 V67H-N 127.6 8.919 R107H-N 122.25 6.495 I108H-N 125.72 9.128 F186H-N 125.01 8.956 V253H-N 128.82 9.928 V256H-N 116.8 8.34 E4H-N 125.93 8.521 V5H-N 116.16 7.483 I6H-N 118.67 8.549 E7H-N 121.65 8.047 I8H-N 122.74 8.586 D9H-N 128.31 9.532 G10H-N 103.3 8.641 K11H-N 119.55 7.636 Q12H-N 118.06 8.07 Q12HE21-NE2 110.11 7.197 Q12HE22-NE2 110.11 6.49 W13H-N 121.6 8.706 W13HE1-NE1 130.88 9.805 R14H-N 121.56 9.537 L15H-N 129.11 8.968 I16H-N 120.71 8.821 W17H-N 122.28 7.797 W17HE1-NE1 125.29 6.059 H18H-N 119.26 7.046 D19H-N 116.69 8.01 E20H-N 120.7 8.077 F21H-N 120.19 9.069 E22H-N 112.31 7.623 G23H-N 107.62 7.859 S24H-N 111.91 8.425 E25H-N 118.05 7.631 V26H-N 124.44 8.589 N27H-N 127.19 10.263 N27HD21-ND2 110.47 7.126 N27HD22-ND2 110.47 6.582 K28H-N 128.78 8.644 E29H-N 118.55 8.389 Y30H-N 113.45 7.054 W31H-N 112.62 7.21 W31HE1-NE1 130.98 11.909 T32H-N 117.29 8.982 F33H-N 124.14 8.663 E34H-N 121.97 8.625 K35H-N 121.25 8.423 G36H-N 110.78 8.935 N37H-N 123.37 10.103 N37HD21-ND2 108.83 8.129 N37HD22-ND2 108.83 6.438 G38H-N 108.64 8.258 I39H-N 122.74 7.257 A40H-N 122.55 7.938 Y41H-N 113.64 7.037 G42H-N 107.29 7.785 I43H-N 114.66 7.416 G45H-N 118.48 8.193 W46H-N 118.81 8.314 W46HE1-NE1 128.02 9.322 G47H-N 105.19 7.466 N48H-N 117.07 7.841 N48HD21-ND2 117.28 7.862 N48HD22-ND2 117.28 6.736 G49H-N 111.26 8.877 E50H-N 118.81 8.284 L51H-N 117.01 8.661 E52H-N 113.79 7.376 Y53H-N 122.65 8.501 Y54H-N 126.22 8.146 T55H-N 110.78 9.453 E56H-N 123.22 9.382 N57H-N 115.49 8.296 N58H-N 118.62 6.714 N58HD21-ND2 114.33 8.373 N58HD22-ND2 114.33 7.935 T59H-N 111.07 7.066 Y60H-N 121.17 8.567 I61H-N 119.42 8.282 V62H-N 124.29 8.731 N63H-N 124.82 9.273 G64H-N 103.31 8.642 T65H-N 112.41 8.175 L66H-N 124.73 8.451 V67H-N 128.34 8.925 I68H-N 125.27 8.412 E69H-N 127.35 8.814 A70H-N 128.6 9.367 R71H-N 119.58 8.971 K72H-N 122.83 8.376 E73H-N 128.35 7.644 I74H-N 119.89 7.457 I75H-N 128.24 8.624 T76H-N 120.57 8.122 D77H-N 127.12 8.727 N79H-N 113.5 8.542 E80H-N 116.8 8.236 G81H-N 106.65 8.774 T82H-N 116.81 7.528 F83H-N 125.74 9.005 L84H-N 118.39 9.066 Y85H-N 110.71 6.941 T86H-N 111.53 9.086 S87H-N 111.38 7.648 S88H-N 114.77 9.109 R89H-N 124.15 8.716 L90H-N 127.46 8.967 K91H-N 114.37 9.106 T92H-N 108.57 9.034 E93H-N 121.4 5.673 G94H-N 118.03 9.219 K95H-N 120.24 7.909 V96H-N 116.5 8.059 E97H-N 123.03 7.383 F98H-N 117.33 8.646 S99H-N 115.88 8.15 V102H-N 120.06 9.118 V103H-N 120.99 8.596 V104H-N 126.39 8.245 E105H-N 123.77 9.276 A106H-N 123.14 9.378 R107H-N 122.15 6.333 I108H-N 126.47 9.21 K109H-N 132.29 9.524 L110H-N 126.92 7.434 K112H-N 116.24 7.866 G113H-N 109.71 7.73 K114H-N 125.77 8.451 G115H-N 114.34 9.549 L116H-N 118.11 7.163 W117H-N 122.65 8.506 W117HE1-NE1 126.25 9.597 A119H-N 118.46 8.187 F120H-N 120.06 8.641 W121H-N 127.94 9.757 W121HE1-NE1 133.55 10.564 M122H-N 114.62 9.133 L123H-N 121.67 7.04 G124H-N 108.04 6.615 S125H-N 118.46 8.57 N126H-N 117.57 7.958 N126HD22-ND2 105.96 6.834 I127H-N 121.95 7.856 R128H-N 119.31 8.065 E129H-N 116.31 7.674 V130H-N 107.63 7.648 G131H-N 110.28 7.892 W132H-N 120.84 8.427 W132HE1-NE1 130.88 10.903 N134H-N 125.55 7.942 C135H-N 113.3 8.135 G136H-N 109.93 7.352 E137H-N 121.82 8.762 I138H-N 126.17 8.958 D139H-N 128.27 10.03 I140H-N 130.19 8.205 M141H-N 114.99 8.255 E142H-N 122.56 8.415 F143H-N 124.66 7.875 L144H-N 123.03 8.319 G145H-N 105.96 8.439 H146H-N 115.2 7.626 E147H-N 123.19 7.488 R149H-N 115.13 8.397 T150H-N 117.13 7.723 I151H-N 119.05 8.838 H152H-N 116.36 8.427 G153H-N 109.71 8.268 T154H-N 116.02 7.938 V155H-N 119.69 7.698 H156H-N 120.0 8.888 G157H-N 109.44 6.773 G159H-N 116.52 8.219 Y160H-N 119.65 7.652 S161H-N 111.85 7.212 G162H-N 116.21 11.355 K164H-N 120.11 7.708 G165H-N 105.15 7.269 I166H-N 121.67 8.088 T167H-N 125.01 8.054 R168H-N 126.76 8.075 A169H-N 124.65 7.871 Y170H-N 122.3 8.471 T171H-N 123.7 7.295 L172H-N 126.43 8.467 E174H-N 119.32 8.232 G175H-N 108.81 8.526 V176H-N 114.66 6.85 D178H-N 121.38 8.957 F179H-N 112.92 7.357 T180H-N 111.18 9.646 E181H-N 121.88 7.327 D182H-N 115.23 7.799 F183H-N 116.23 8.983 H184H-N 116.95 8.383 V185H-N 121.61 8.847 F186H-N 124.86 8.897 G187H-N 109.2 7.931 I188H-N 107.94 8.219 V189H-N 120.84 9.009 W190H-N 130.35 9.053 W190HE1-NE1 125.58 10.02 Y191H-N 123.38 9.52 D193H-N 109.65 8.132 K194H-N 119.87 7.859 I195H-N 123.46 8.915 K196H-N 123.18 8.82 W197H-N 124.72 8.824 W197HE1-NE1 128.71 10.151 Y198H-N 116.41 8.996 V199H-N 118.97 8.453 D200H-N 126.82 10.035 G201H-N 102.68 7.111 T202H-N 118.83 8.451 F203H-N 127.12 8.722 Y204H-N 116.72 8.365 H205H-N 119.34 7.284 V207H-N 123.17 8.905 T208H-N 114.46 8.028 K209H-N 123.0 7.377 E210H-N 116.64 8.25 Q211H-N 120.22 7.732 Q211HE21-NE2 112.11 6.913 Q211HE22-NE2 112.11 5.844 V212H-N 119.65 7.583 E213H-N 118.83 8.651 A214H-N 123.2 8.136 M215H-N 115.07 7.245 G216H-N 104.01 7.64 Y217H-N 119.15 7.141 E218H-N 118.45 8.536 W219H-N 127.71 9.654 W219HE1-NE1 130.34 10.676 V220H-N 115.14 5.188 F221H-N 116.07 4.805 D222H-N 119.23 8.518 K223H-N 118.89 7.329 F225H-N 124.02 9.534 Y226H-N 115.39 8.597 I227H-N 118.73 7.948 I228H-N 126.62 9.15 L229H-N 124.21 8.67 N230H-N 113.68 8.439 L231H-N 119.03 6.671 A232H-N 130.47 7.784 V233H-N 118.83 8.521 G234H-N 112.79 9.161 G235H-N 135.35 6.654 Y236H-N 118.87 7.75 W237H-N 117.09 7.808 W237HE1-NE1 128.22 9.668 G239H-N 105.82 7.072 N240H-N 113.27 7.736 D242H-N 120.66 8.072 A243H-N 119.69 8.139 T244H-N 108.28 8.738 T245H-N 124.14 7.765 F247H-N 118.31 7.747 A249H-N 127.26 9.02 K250H-N 119.44 8.438 M251H-N 125.32 9.089 V252H-N 126.16 8.303 V253H-N 128.23 9.945 D254H-N 124.59 9.341 Y255H-N 111.95 7.2 V256H-N 117.36 8.368 R257H-N 126.25 9.903 V258H-N 119.13 8.682 Y259H-N 126.04 9.378 S260H-N 115.01 9.887 F261H-N 125.4 7.325 V262H-N 125.82 7.788 S263H-N 116.13 7.291 G264H-N 116.0 7.675