Assignment w1 w2 M3H-N 117.552 8.525 D4H-N 120.405 8.002 N5H-N 118.299 8.326 N5HD21-ND2 112.208 7.568 N5HD22-ND2 112.208 6.93 V6H-N 119.902 7.984 C7H-N 123.004 8.426 Q8H-N 124.211 8.47 Q8HE21-NE2 111.9 7.545 Q8HE22-NE2 111.9 6.853 T10H-N 113.571 8.553 E11H-N 121.237 7.746 F12H-N 112.45 8.334 S14H-N 119.214 9.578 R15H-N 117.06 8.825 H16H-N 120.503 9.475 H16HD1-ND1 162.04 9.46 N17H-N 118.517 8.101 N17HD21-ND2 111.192 7.843 N17HD22-ND2 111.192 6.638 I18H-N 112.743 8.068 E19H-N 115.786 7.278 G20H-N 104.752 7.977 I21H-N 126.991 8.088 F22H-N 124.145 9.006 T23H-N 117.76 9.686 F24H-N 123.255 7.781 V25H-N 125.438 7.586 D26H-N 126.498 8.151 R28H-N 122.496 8.954 C29H-N 120.118 8.34 V30H-N 125.128 7.197 A31H-N 120.851 7.511 T32H-N 109.916 7.446 V33H-N 132.511 7.991 G34H-N 110.1 7.46 Y35H-N 117.177 6.175 Q36H-N 117.706 9.081 Q36HE21-NE2 112.982 7.605 Q36HE22-NE2 112.982 6.822 Q38H-N 112.713 8.875 Q38HE21-NE2 111.9 7.609 Q38HE22-NE2 111.9 6.927 E39H-N 117.403 7.796 L40H-N 116.885 6.91 L41H-N 116.188 7.294 G42H-N 109.15 8.613 K43H-N 120.296 8.289 N44H-N 122.347 9.477 N44HD21-ND2 112.726 6.769 N44HD22-ND2 112.726 7.618 I45H-N 128.777 7.67 V46H-N 119.354 8.662 E47H-N 117.899 7.874 F48H-N 117.296 7.659 C49H-N 119.872 7.404 H50H-N 133.76 8.819 E52H-N 119.692 11.121 D53H-N 117.869 8.205 Q54H-N 119.858 7.088 Q54HE21-NE2 111.056 7.229 Q54HE22-NE2 111.056 6.95 Q55H-N 119.516 8.74 Q55HE21-NE2 116.09 7.952 Q55HE22-NE2 116.09 6.952 L56H-N 120.26 7.875 L57H-N 122.122 7.797 R58H-N 119.936 8.63 R58HE-NE 84.95 7.273 D59H-N 119.748 8.885 S60H-N 117.294 7.982 F61H-N 120.999 7.854 Q62H-N 116.992 7.706 Q62HE21-NE2 111.8 7.518 Q62HE22-NE2 111.8 6.873 Q63H-N 118.945 8.254 Q63HE21-NE2 110.8 7.308 Q63HE22-NE2 110.8 6.798 V64H-N 119.79 8.538 V65H-N 116.1 6.759 K66H-N 119.872 7.404 L67H-N 119.734 7.757 K68H-N 117.932 7.552 G69H-N 111.508 8.583 Q70H-N 118.403 7.591 Q70HE21-NE2 113.23 7.668 Q70HE22-NE2 113.23 6.908 V71H-N 121.432 8.36 L72H-N 129.612 8.911 S73H-N 118.13 8.558 V74H-N 123.664 9.057 M75H-N 124.869 8.227 F76H-N 120.652 9.27 R77H-N 120.385 8.851 F78H-N 128.557 9.546 R79H-N 130.302 9.269 S80H-N 127.943 9.208 K81H-N 123.824 7.837 N82H-N 115.147 7.94 N82HD21-ND2 111.424 7.47 N82HD22-ND2 111.424 6.829 Q83H-N 112.351 8.029 Q83HE21-NE2 113.4 7.312 Q83HE22-NE2 113.4 6.913 E84H-N 117.986 7.439 W85H-N 121.657 8.628 W85HE1-NE1 129.749 10.313 L86H-N 126.992 9.574 W87H-N 123.736 8.897 W87HE1-NE1 128.205 10.113 M88H-N 127.011 9.504 R89H-N 123.535 9.179 T90H-N 129.74 9.473 S91H-N 123.899 8.772 S92H-N 122.68 9.334 F93H-N 116.464 8.367 T94H-N 112.539 8.558 F95H-N 122.35 8.34 Q96H-N 125.75 7.827 Q96HE21-NE2 110.056 6.438 Q96HE22-NE2 110.056 7.375 N97H-N 123.751 8.869 N97HD21-ND2 115.742 8.206 N97HD22-ND2 115.742 7.226 Y99H-N 116.425 8.17 S100H-N 113.929 8.018 D101H-N 120.369 8.324 E102H-N 119.058 7.861 I103H-N 122.834 8.688 E104H-N 127.851 8.9 Y105H-N 111.848 7.419 I106H-N 120.234 9.167 I107H-N 127.995 8.949 C108H-N 124.469 9.365 T109H-N 117.388 8.868 N110H-N 126.521 8.542 T111H-N 121.027 8.983 N112H-N 125.777 8.774 N112HD21-ND2 110.5 7.679 N112HD22-ND2 110.5 6.818 V113H-N 124.183 8.26 K114H-N 122.796 8.358 N115H-N 119.896 8.464 N115HD21-ND2 112.0 7.115 N115HD22-ND2 112.0 6.836 S116H-N 116.376 8.24 S117H-N 117.538 8.306 Q118H-N 122.245 8.267 Q118HE21-NE2 112.356 7.576 Q118HE22-NE2 112.356 6.819 E119H-N 127.461 8.002