Assignment w1 w2 M3H-N 120.795 8.499 D4H-N 122.056 8.183 I5H-N 122.447 8.887 K6H-N 124.996 8.058 S7H-N 117.442 8.489 F8H-N 122.157 8.763 L9H-N 121.646 8.322 Y10H-N 119.382 8.75 Q11H-N 120.603 8.365 Q11HE21-NE2 111.266 6.887 Q11HE22-NE2 111.266 7.4 F12H-N 122.039 8.302 C13H-N 118.493 8.365 A14H-N 122.764 8.311 K15H-N 117.698 7.417 S16H-N 112.64 7.398 Q17H-N 114.721 7.803 Q17HE21-NE2 112.213 7.492 Q17HE22-NE2 112.213 6.7 I18H-N 115.256 7.488 E19H-N 122.285 8.365 K21H-N 121.193 8.556 F22H-N 123.584 8.945 D23H-N 123.047 9.038 I24H-N 124.8 8.704 R25H-N 126.286 9.118 Q26H-N 122.157 8.67 Q26HE21-NE2 111.63 6.667 Q26HE22-NE2 111.63 7.045 T27H-N 117.005 8.683 G28H-N 109.534 8.182 K30H-N 119.662 8.435 N31H-N 113.172 8.28 N31HD21-ND2 112.388 7.602 N31HD22-ND2 112.388 6.836 R32H-N 123.794 7.996 R32HE-NE 84.504 7.163 Q33H-N 121.04 8.224 Q33HE21-NE2 111.79 6.651 Q33HE22-NE2 111.79 7.343 R34H-N 120.623 8.532 F35H-N 118.59 8.824 L36H-N 124.445 9.04 C37H-N 125.134 9.488 E38H-N 128.265 8.934 V39H-N 122.889 9.431 R40H-N 124.974 8.163 V41H-N 124.462 9.341 E42H-N 130.005 8.941 N44H-N 122.709 9.015 N44HD21-ND2 113.169 7.617 N44HD22-ND2 113.169 6.9 Y46H-N 123.182 6.918 I47H-N 127.996 6.722 G48H-N 112.632 8.951 V49H-N 121.819 9.022 G50H-N 110.91 8.882 N51H-N 119.974 9.106 N51HD21-ND2 113.418 7.531 N51HD22-ND2 113.418 6.791 S52H-N 113.674 8.76 T53H-N 113.207 8.543 N54H-N 117.09 8.165 N54HD21-ND2 116.364 7.479 N54HD22-ND2 116.364 7.59 K55H-N 124.5 8.278 K56H-N 118.754 7.964 D57H-N 120.194 8.459 A58H-N 123.587 7.824 E59H-N 117.095 7.885 K60H-N 120.903 8.196 N61H-N 118.261 8.741 N61HD21-ND2 108.782 6.908 N61HD22-ND2 108.782 7.126 A62H-N 125.654 8.23 C63H-N 115.703 8.218 R64H-N 120.578 8.741 D65H-N 119.335 8.202 V67H-N 119.43 8.842 N68H-N 118.243 8.591 N68HD21-ND2 110.924 7.737 N68HD22-ND2 110.924 6.871 Y69H-N 123.794 7.476 L70H-N 119.288 7.584 V71H-N 118.856 8.0 R72H-N 122.966 7.97 R72HE-NE 83.326 7.22 V73H-N 108.757 7.724 G74H-N 109.446 7.667 K75H-N 119.201 8.199 L76H-N 117.714 7.031 N77H-N 120.788 8.926 N77HD21-ND2 114.101 7.762 N77HD22-ND2 114.101 6.927 T78H-N 118.752 8.826 N79H-N 117.144 8.565 D80H-N 117.719 7.891 V81H-N 118.984 6.951 A83H-N 126.103 8.442 D84H-N 120.096 8.465 A85H-N 125.312 8.326 G86H-N 107.364 8.373 A87H-N 123.693 8.094 S88H-N 115.015 8.357 G89H-N 110.716 8.397 G90H-N 108.622 8.281 G91H-N 108.908 8.186 R93H-N 121.163 8.541 T94H-N 114.65 8.284 G95H-N 111.132 8.55 L96H-N 121.464 8.147 E97H-N 121.219 8.58 G98H-N 109.774 8.384 A99H-N 123.607 8.147 G100H-N 107.855 8.414 M101H-N 119.618 8.139 A102H-N 125.06 8.375 G103H-N 108.263 8.379 G104H-N 108.631 8.254 S105H-N 115.615 8.368 G106H-N 110.793 8.541 Q107H-N 119.601 8.2 Q108H-N 121.386 8.411 Q108HE21-NE2 112.474 6.861 Q108HE22-NE2 112.474 7.519 K109H-N 122.851 8.334 R110H-N 122.826 8.355 V111H-N 121.378 8.1 F112H-N 123.802 8.368 D113H-N 122.785 8.271 G114H-N 108.802 7.922 Q115H-N 119.566 8.218 Q115HE21-NE2 114.802 7.98 Q115HE22-NE2 114.802 7.759 S116H-N 116.77 8.4 G117H-N 110.635 8.283 Q119H-N 120.075 8.532 Q119HE21-NE2 112.578 7.472 Q119HE22-NE2 112.578 6.82 D120H-N 121.259 8.289 L121H-N 122.871 8.254 G122H-N 108.782 8.403 E123H-N 120.626 8.276 A124H-N 123.578 8.252 Y125H-N 119.16 8.006 R126H-N 125.12 7.886 R126HE-NE 84.866 7.32 L128H-N 121.877 8.296 N129H-N 118.643 8.343 N129HD21-ND2 112.394 7.6 N129HD22-ND2 112.394 6.912 H130H-N 119.711 8.381 D131H-N 121.508 8.35 G132H-N 109.524 8.391 G133H-N 108.879 8.33 D134H-N 120.215 8.333 G135H-N 109.549 8.498 G136H-N 108.657 8.337 N137H-N 118.528 8.278 N137HD21-ND2 112.813 6.9 N137HD22-ND2 112.813 7.587 R138H-N 121.07 8.251 Y139H-N 120.076 8.141 S140H-N 117.194 8.157 V141H-N 121.654 8.126 I142H-N 123.028 8.042 D143H-N 123.805 8.241 R144H-N 121.074 8.143 R144HE-NE 84.719 7.249 I145H-N 121.688 8.142 Q146H-N 123.383 8.357 Q146HE21-NE2 112.63 6.858 Q146HE22-NE2 112.63 7.595 E147H-N 121.664 8.352 Q148H-N 120.978 8.311 Q148HE21-NE2 112.415 7.56 Q148HE22-NE2 112.415 6.838 R149H-N 122.211 8.292 D150H-N 121.149 8.431 M151H-N 120.959 8.311 N152H-N 119.379 8.484 N152HD21-ND2 113.181 7.684 N152HD22-ND2 113.181 6.928 E153H-N 121.247 8.335 A154H-N 123.939 8.214 E155H-N 119.407 8.222 A156H-N 124.198 8.145 F157H-N 119.394 8.087 D158H-N 122.842 8.234 V159H-N 122.029 8.148 N160H-N 118.803 8.304 N160HD21-ND2 113.635 7.804 N160HD22-ND2 113.635 7.024 A161H-N 122.287 7.861 A162H-N 121.035 8.202 I163H-N 114.212 7.464 H164H-N 119.433 7.477 G165H-N 108.266 7.776 N166H-N 108.233 8.096 N166HD21-ND2 112.577 7.348 N166HD22-ND2 112.577 6.731 W167H-N 119.187 6.952 W167HE1-NE1 126.986 9.969 T168H-N 118.592 9.93 I169H-N 119.872 9.107 E170H-N 117.113 7.923 N171H-N 113.775 7.389 A172H-N 123.625 8.157 K173H-N 119.571 8.413 E174H-N 118.603 8.602 R175H-N 118.841 7.283 L176H-N 123.132 8.743 N177H-N 120.109 8.477 N177HD21-ND2 112.28 7.8 N177HD22-ND2 112.28 6.895 I178H-N 120.831 7.828 Y179H-N 122.876 8.294 K180H-N 118.745 9.153 Q181H-N 118.61 8.114 Q181HE21-NE2 111.25 7.401 Q181HE22-NE2 111.25 6.818 T182H-N 115.025 8.559 N183H-N 114.95 7.332 N183HD21-ND2 116.247 6.118 N183HD22-ND2 116.247 6.669 N184H-N 117.192 7.619 N184HD21-ND2 112.357 6.788 N184HD22-ND2 112.357 7.569 I185H-N 118.733 8.658 R186H-N 126.747 8.949 R186HE-NE 84.296 7.292 D187H-N 119.968 7.397 D188H-N 120.755 8.495 Y189H-N 117.708 7.887 K190H-N 122.071 8.765 Y191H-N 125.477 9.121 T192H-N 119.731 9.18 V194H-N 122.239 8.555 G195H-N 110.977 8.259 E197H-N 118.82 8.74 H198H-N 111.481 7.691 A199H-N 128.217 7.534 R200H-N 123.2 7.878 R200HE-NE 82.347 6.445 S201H-N 119.892 8.712 F202H-N 114.985 8.796 L203H-N 120.844 8.91 A204H-N 124.238 9.173 E205H-N 121.133 8.707 L206H-N 123.944 8.057 S207H-N 119.655 7.936 I208H-N 121.272 9.076 Y209H-N 128.475 9.077 V210H-N 129.723 8.307 A212H-N 116.94 8.501 L213H-N 111.781 6.831 N214H-N 117.241 7.974 N214HD21-ND2 112.754 7.698 N214HD22-ND2 112.754 6.982 R215H-N 113.513 6.874 R215HE-NE 83.376 7.182 T216H-N 118.98 8.735 V217H-N 126.71 9.091 T218H-N 120.78 8.857 A219H-N 127.073 8.382 R220H-N 122.695 8.479 E221H-N 122.627 8.655 S222H-N 114.887 8.875 G223H-N 106.885 8.819 S224H-N 115.358 8.977 N225H-N 112.524 7.709 N225HD21-ND2 115.657 7.624 N225HD22-ND2 115.657 7.009 K227H-N 120.718 8.085 S228H-N 116.161 8.758 A229H-N 124.437 8.336 S230H-N 112.797 8.4 K231H-N 123.275 7.795 S232H-N 116.531 7.994 C233H-N 124.08 8.537 A234H-N 119.449 8.721 L235H-N 116.676 7.809 S236H-N 111.888 7.538 L237H-N 120.326 8.103 V238H-N 118.866 8.891 R239H-N 117.631 8.591 Q240H-N 117.729 8.115 Q240HE21-NE2 109.15 7.025 Q240HE22-NE2 109.15 6.529 L241H-N 118.793 8.484 F242H-N 123.375 8.997 H243H-N 120.541 8.503 L244H-N 118.142 7.449 N245H-N 114.288 8.037 N245HD21-ND2 112.513 6.758 N245HD22-ND2 112.513 7.396 V246H-N 115.238 8.136 I247H-N 115.582 6.657 E248H-N 126.497 9.43 F250H-N 123.718 8.076 S251H-N 121.767 7.967 G252H-N 108.33 5.979 T253H-N 114.005 7.944 L254H-N 125.674 8.451 K255H-N 123.036 8.353 K256H-N 123.501 8.32 K257H-N 123.661 8.36 K258H-N 123.969 8.411 D259H-N 127.517 7.99