Assignment w1 w2 A6H-N 120.917 8.175 G7H-N 106.847 8.175 I8H-N 123.474 7.956 K9H-N 118.485 8.207 E10H-N 119.507 7.879 E11H-N 121.72 7.761 I12H-N 120.587 8.645 R13H-N 118.33 7.562 R14H-N 118.736 7.802 Q15H-N 118.555 8.437 Q15HE21-NE2 108.139 6.079 Q15HE22-NE2 108.139 7.208 E16H-N 119.415 8.92 F17H-N 119.598 7.829 L18H-N 121.65 7.664 L19H-N 121.105 8.708 N20H-N 115.173 8.13 N20HD21-ND2 112.495 6.826 N20HD22-ND2 112.495 7.487 S21H-N 116.074 7.644 L22H-N 123.379 7.934 H23H-N 116.434 8.198 R24H-N 118.726 7.666 D25H-N 119.741 7.84 L26H-N 118.744 7.802 Q27H-N 118.323 7.65 Q27HE21-NE2 110.579 6.714 Q27HE22-NE2 110.579 7.19 G28H-N 107.83 8.154 G29H-N 106.714 7.88 I30H-N 120.092 7.524 K31H-N 128.446 8.386 D32H-N 126.279 8.663 L33H-N 125.947 8.665 S34H-N 114.004 8.17 K35H-N 123.141 7.736 E36H-N 118.712 8.105 E37H-N 117.992 8.007 R38H-N 120.92 7.783 L39H-N 119.652 8.096 W40H-N 117.17 7.741 W40HE1-NE1 129.816 10.865 E41H-N 120.406 7.754 V42H-N 119.473 8.894 Q43H-N 117.754 7.915 Q43HE21-NE2 117.564 6.659 Q43HE22-NE2 117.564 7.752 R44H-N 120.509 8.302 I45H-N 123.355 8.127 L46H-N 121.472 8.46 T47H-N 117.441 8.835 A48H-N 122.879 7.786 L49H-N 121.131 8.667 K50H-N 117.655 8.15 R51H-N 118.738 7.667 K52H-N 119.963 7.784 L53H-N 118.582 7.86 R54H-N 116.122 7.286 E55H-N 118.59 7.501 A56H-N 129.338 7.524 A5H-N 126.114 8.497 A6H-N 123.108 8.262 N7H-N 117.377 8.295 K8H-N 121.482 8.215 S9H-N 116.485 8.247 K10H-N 123.407 8.554 G11H-N 109.713 8.425 Q12H-N 119.74 8.229 Q12HE21-NE2 112.129 6.788 Q12HE22-NE2 112.129 7.466 S13H-N 117.303 8.403 S14H-N 117.372 8.515 L15H-N 123.753 8.218 A16H-N 120.457 8.015 L17H-N 122.673 6.867 H18H-N 124.934 8.366 K19H-N 122.871 8.421 V20H-N 126.887 9.666 I21H-N 123.798 7.983 M22H-N 123.26 8.42 V23H-N 122.73 9.031 G24H-N 112.261 7.743 S25H-N 115.754 9.408 G26H-N 106.659 8.448 G27H-N 113.413 9.119 V28H-N 111.692 7.177 G29H-N 107.107 8.234 K30H-N 123.037 8.98 S31H-N 120.419 9.445 A32H-N 126.089 9.409 L33H-N 119.273 8.662 T34H-N 116.288 7.555 L35H-N 120.839 9.067 Q36H-N 121.364 7.84 Q36HE21-NE2 107.375 6.412 Q36HE22-NE2 107.375 7.707 F37H-N 119.667 7.924 M38H-N 114.121 8.562 Y39H-N 114.936 7.633 D40H-N 118.421 8.198 E41H-N 116.21 6.953 F42H-N 120.867 8.326 V43H-N 126.618 7.415 E44H-N 124.146 8.122 D45H-N 119.606 7.557 Y46H-N 120.896 8.613 K50H-N 126.208 8.534 A51H-N 115.121 6.926 D52H-N 117.368 8.251 R55H-N 124.232 8.812 K56H-N 127.212 9.046 K57H-N 124.634 8.344 V58H-N 119.051 8.911 V59H-N 120.879 8.239 L60H-N 129.467 9.062 D61H-N 129.552 9.562 G62H-N 102.199 7.975 E63H-N 120.419 7.523 E64H-N 125.093 8.723 V65H-N 121.734 9.025 Q66H-N 117.357 8.172 Q66HE21-NE2 108.824 6.577 Q66HE22-NE2 108.824 7.224 I67H-N 120.983 9.047 D68H-N 128.462 8.661 I69H-N 120.916 9.082 L70H-N 132.305 9.286 D71H-N 127.665 9.001 T72H-N 110.661 6.538 A73H-N 120.068 7.751 G74H-N 113.164 9.336 L75H-N 121.267 7.98 E76H-N 122.709 8.59 D77H-N 119.861 8.31 Y78H-N 118.12 7.864 A79H-N 125.165 7.892 A80H-N 117.789 8.277 I81H-N 114.07 6.905 R82H-N 119.651 7.352 D83H-N 117.501 8.128 N84H-N 116.565 7.466 N84HD21-ND2 114.03 10.238 N84HD22-ND2 114.03 6.336 Y85H-N 117.226 7.717 F86H-N 118.47 9.019 R87H-N 116.282 8.304 S88H-N 109.588 7.594 G89H-N 107.332 7.841 E90H-N 117.903 7.918 G91H-N 102.731 7.548 F92H-N 119.208 8.143 L93H-N 123.152 8.524 L94H-N 127.056 8.483 V95H-N 125.804 9.198 F96H-N 122.578 9.234 S97H-N 112.017 8.777 I98H-N 121.564 8.83 T99H-N 110.809 8.164 E100H-N 120.589 7.663 H101H-N 130.794 10.03 E102H-N 118.497 9.854 S103H-N 115.501 7.567 F104H-N 125.003 7.236 T105H-N 117.946 8.326 A106H-N 121.808 7.664 T107H-N 108.241 7.447 A108H-N 122.366 7.04 E109H-N 118.635 7.289 F110H-N 117.428 7.567 R111H-N 117.377 8.247 R111HE-NE 82.749 6.777 E112H-N 116.614 7.46 Q113H-N 118.243 7.631 Q113HE21-NE2 110.349 6.363 Q113HE22-NE2 110.349 7.463 I114H-N 120.104 7.78 L115H-N 116.747 7.876 R116H-N 117.116 7.664 V117H-N 116.195 7.717 K118H-N 120.034 7.854 A119H-N 120.86 7.011 E120H-N 115.564 8.737 E121H-N 119.444 7.92 D122H-N 120.581 8.306 K123H-N 119.2 8.021 I124H-N 125.195 8.307 L126H-N 127.899 7.929 L127H-N 125.544 8.238 V128H-N 124.427 8.297 V129H-N 128.652 9.138 G130H-N 114.819 8.257 N131H-N 121.537 8.69 N131HD21-ND2 120.999 7.543 N131HD22-ND2 120.999 8.785 K132H-N 110.605 7.197 S133H-N 114.308 9.154 D134H-N 116.742 8.654 L135H-N 122.958 8.012 E136H-N 119.289 6.617 E137H-N 116.893 9.122 R138H-N 117.314 7.914 R139H-N 120.315 7.408 R139HE-NE 79.979 8.16 Q140H-N 123.915 9.524 Q140HE21-NE2 110.883 6.976 Q140HE22-NE2 110.883 7.369 V141H-N 120.645 7.149 V143H-N 125.73 8.77 E144H-N 114.287 8.801 E145H-N 120.51 6.968 A146H-N 121.572 6.693 R147H-N 116.86 8.54 S148H-N 112.639 7.66 K149H-N 123.421 7.057 A150H-N 119.45 7.745 E151H-N 116.789 8.166 E152H-N 122.914 7.732 W153H-N 118.538 7.736 W153HE1-NE1 127.032 9.818 G154H-N 111.138 8.24 V155H-N 112.397 8.236 Q156H-N 118.627 8.797 Q156HE21-NE2 113.512 7.113 Q156HE22-NE2 113.512 7.495 Y157H-N 120.15 8.105 V158H-N 129.201 8.24 E159H-N 122.665 8.182 T160H-N 114.155 8.826 S161H-N 110.549 8.031 A162H-N 132.038 9.029 K163H-N 115.128 6.876 T164H-N 105.784 7.668 R165H-N 118.938 7.634 R165HE-NE 84.261 6.887 A166H-N 126.151 7.562 N167H-N 115.708 8.942 N167HD21-ND2 111.502 6.776 N167HD22-ND2 111.502 7.829 V168H-N 119.506 7.285 D169H-N 116.182 7.976 K170H-N 117.086 7.666 V171H-N 109.267 7.324 F172H-N 116.803 6.627 F173H-N 119.032 8.894 D174H-N 119.786 9.463 L175H-N 120.106 7.515 M176H-N 117.287 8.197 R177H-N 117.222 8.222 R177HE-NE 115.576 9.083 E178H-N 120.301 7.567 I179H-N 121.483 8.271 R180H-N 120.594 8.605 R180HE-NE 113.024 7.366 T181H-N 115.217 8.186 K182H-N 123.532 7.673 K183H-N 119.398 8.443 M184H-N 116.74 8.261 S185H-N 114.106 7.728 E186H-N 120.518 7.691 N187H-N 119.052 8.078 N187HD21-ND2 112.457 6.862 N187HD22-ND2 112.457 7.539 K188H-N 126.123 7.76