Assignment w1 w2 K2H-N 121.469 8.222 F3H-N 118.959 8.378 F4H-N 117.392 9.481 Y5H-N 117.667 10.031 I6H-N 121.812 9.744 K7H-N 127.858 9.597 S8H-N 120.496 9.485 E9H-N 129.79 8.246 L10H-N 118.013 7.648 N11H-N 109.162 7.003 N11HD21-ND2 107.453 7.82 N11HD22-ND2 107.453 6.375 G12H-N 108.802 8.148 K13H-N 120.185 7.988 V14H-N 109.831 9.024 L15H-N 120.839 8.836 D16H-N 125.337 9.184 I17H-N 123.273 8.537 Q20H-N 113.488 8.439 Q20HE21-NE2 111.693 7.526 Q20HE22-NE2 111.693 6.922 G25H-N 113.206 9.484 K27H-N 124.07 8.739 I28H-N 122.883 7.601 T30H-N 106.431 8.179 W31H-N 124.737 9.519 W31HE1-NE1 129.98 10.609 D32H-N 124.369 6.611 Q33H-N 123.182 8.863 Q33HE21-NE2 107.818 7.282 Q33HE22-NE2 107.818 3.644 K34H-N 131.781 10.576 K35H-N 120.789 8.852 G36H-N 110.761 9.074 T38H-N 106.775 8.418 A39H-N 122.0 8.108 V40H-N 116.584 6.786 Q42H-N 116.94 8.489 L43H-N 118.379 6.687 W44H-N 124.994 9.043 W44HE1-NE1 126.397 9.145 Y45H-N 116.002 9.45 T46H-N 108.097 8.898 D47H-N 124.966 8.986 Q48H-N 116.8 8.68 Q48HE21-NE2 112.947 7.794 Q48HE22-NE2 112.947 7.079 Q49H-N 118.355 8.601 Q49HE21-NE2 111.775 7.794 Q49HE22-NE2 111.775 6.954 G50H-N 108.281 8.328 V51H-N 123.223 8.218 I52H-N 127.884 8.943 R53H-N 123.054 9.041 R53HE-NE 84.174 7.011 K55H-N 128.411 8.5 L56H-N 118.089 8.13 D58H-N 112.72 8.444 F59H-N 120.754 8.186 A60H-N 120.789 8.848 I61H-N 120.094 8.11 D62H-N 122.624 9.213 A63H-N 128.882 8.134 S64H-N 117.914 9.188 H65H-N 120.576 9.069 E66H-N 118.388 8.635 Q67H-N 114.686 7.852 Q67HE21-NE2 111.73 7.77 Q67HE22-NE2 111.73 6.811 I68H-N 121.191 8.534 E69H-N 120.575 8.763 Q71H-N 121.4 8.749 Q71HE21-NE2 108.555 7.952 Q71HE22-NE2 108.555 6.825 F73H-N 122.693 9.827 N76H-N 115.56 8.386 N76HD21-ND2 115.233 7.986 N76HD22-ND2 115.233 7.106 N77H-N 117.006 7.197 N77HD21-ND2 111.876 8.127 N77HD22-ND2 111.876 6.937 K79H-N 113.005 7.988 R80H-N 118.475 7.78 R80HE-NE 86.277 8.372 A81H-N 122.892 6.761 W82H-N 127.102 7.217 W82HE1-NE1 126.397 9.145 I83H-N 115.198 9.575 V84H-N 121.1 8.98 S85H-N 123.191 8.865 G86H-N 120.046 9.407 N87H-N 126.608 8.873 N87HD21-ND2 111.212 8.084 N87HD22-ND2 111.212 7.089 T88H-N 109.804 8.053 I89H-N 123.502 9.236 A90H-N 128.276 8.971 Q91H-N 125.394 8.162 Q91HE21-NE2 110.166 7.134 Q91HE22-NE2 110.166 6.532 L92H-N 130.2 8.444 S93H-N 108.204 8.338 D94H-N 120.703 7.347 R95H-N 121.513 8.676 R95HE-NE 84.819 7.409 D96H-N 115.043 7.674 N97H-N 122.993 8.314 N97HD21-ND2 110.797 7.656 N97HD22-ND2 110.797 6.844 V98H-N 115.614 8.408 L99H-N 117.876 8.62 G100H-N 104.289 8.995 V101H-N 120.105 8.372 I102H-N 127.502 8.932 K103H-N 126.101 8.494 S104H-N 118.396 8.65 D105H-N 123.394 8.71 K106H-N 119.301 8.581 G107H-N 109.203 8.435 A108H-N 123.042 8.118 S109H-N 114.742 8.388 A110H-N 126.808 8.697 H111H-N 117.56 8.545 I112H-N 119.903 8.625 C113H-N 123.4 8.969 A114H-N 123.705 8.947 W115H-N 123.811 9.37 W115HE1-NE1 129.072 9.994 K116H-N 119.481 7.994 Q117H-N 125.894 9.005 Q117HE21-NE2 110.87 7.991 Q117HE22-NE2 110.87 6.791 H118H-N 126.999 9.695 G119H-N 110.298 9.347 G120H-N 109.542 9.158 N122H-N 113.101 8.507 N122HD21-ND2 111.885 8.021 N122HD22-ND2 111.885 7.425 Q123H-N 119.457 7.651 K124H-N 119.7 7.208 F125H-N 123.2 9.332 I126H-N 120.898 9.882 I127H-N 126.346 8.638 E128H-N 128.514 8.611 S129H-N 122.101 9.221 E130H-N 129.3 8.348 E130H-N 129.623 8.29