Assignment w1 w2 S5H-N 117.708 8.317 D6H-N 123.205 8.322 N7H-N 119.241 8.23 N7HD21-ND2 114.204 7.518 N7HD22-ND2 114.204 6.841 E8H-N 121.967 8.29 D9H-N 121.721 8.234 N10H-N 119.676 8.105 N10HD21-ND2 114.015 7.463 N10HD22-ND2 114.015 6.812 F11H-N 122.201 8.195 D12H-N 123.564 8.231 G13H-N 109.555 7.668 D14H-N 121.579 8.146 D15H-N 121.323 8.071 F16H-N 120.327 8.068 D17H-N 122.891 8.496 D18H-N 121.918 8.288 V19H-N 121.189 8.02 E20H-N 125.943 8.434 E21H-N 123.593 8.415 D22H-N 122.695 8.321 E23H-N 123.205 8.333 G24H-N 110.575 8.445 L25H-N 121.766 7.925 D26H-N 121.522 8.418 D27H-N 120.761 8.1 L28H-N 122.663 8.002 N30H-N 121.157 8.515 N30HD21-ND2 113.874 7.61 N30HD22-ND2 113.874 6.813 A31H-N 125.889 8.173 E32H-N 121.576 8.43 E33H-N 122.861 8.406 G35H-N 110.729 8.363 Q36H-N 121.667 8.193 Q36HE21-NE2 113.877 7.555 Q36HE22-NE2 113.877 6.847 N38H-N 123.915 8.963 N38HD21-ND2 112.801 7.389 N38HD22-ND2 112.801 6.593 V39H-N 120.326 8.103 E40H-N 125.365 9.356 I41H-N 124.925 8.625 L42H-N 130.258 8.904 S44H-N 116.166 7.705 G45H-N 112.02 8.161 E46H-N 122.276 8.037 R47H-N 124.213 8.326 R47HE-NE 85.396 7.246 Q49H-N 122.807 8.662 Q49HE21-NE2 113.965 7.501 Q49HE22-NE2 113.965 6.773 A50H-N 127.168 8.32 N51H-N 118.351 8.4 N51HD21-ND2 113.707 7.5 N51HD22-ND2 113.707 6.808 Q52H-N 120.724 7.951 Q52HE21-NE2 113.587 7.493 Q52HE22-NE2 113.587 6.97 K53H-N 125.554 8.459 R54H-N 126.498 8.167 R54HE-NE 83.158 5.781 I55H-N 122.231 11.12 T56H-N 117.281 8.706 T57H-N 112.107 7.979 Y59H-N 120.409 7.274 M60H-N 125.205 8.245 T61H-N 124.837 9.398 K62H-N 122.484 8.707 Y63H-N 123.734 8.934 E64H-N 120.334 8.07 R65H-N 119.31 8.364 R65HE-NE 85.835 7.401 A66H-N 121.084 7.54 V68H-N 124.055 9.065 L69H-N 119.306 8.353 G70H-N 105.64 8.354 T71H-N 118.729 8.042 R72H-N 122.557 8.516 R72HE-NE 88.044 11.361 A73H-N 122.716 8.883 L74H-N 119.737 7.325 Q75H-N 118.523 7.498 Q75HE21-NE2 108.511 7.602 Q75HE22-NE2 108.511 6.02 I76H-N 122.116 8.417 A77H-N 125.95 8.473 M78H-N 117.333 7.451 C79H-N 111.588 7.877 A80H-N 125.764 7.974 V82H-N 123.15 8.269 M83H-N 123.361 9.826 V84H-N 110.935 6.95 E85H-N 121.944 8.321 L86H-N 125.257 8.529 E87H-N 121.678 9.467 G88H-N 107.682 8.071 E89H-N 122.703 8.425 T90H-N 112.11 8.406 D91H-N 128.422 8.488 L93H-N 119.654 8.1 L94H-N 120.708 7.486 I95H-N 122.698 8.335 A96H-N 124.277 8.263 M97H-N 117.426 8.26 K98H-N 124.332 7.788 E99H-N 121.109 8.495 L100H-N 122.418 8.673 K101H-N 121.573 7.988 A102H-N 119.158 7.316 R103H-N 115.112 7.916 R103HE-NE 86.412 7.209 K104H-N 116.95 7.925 I105H-N 120.61 7.254 I107H-N 124.169 7.73 I108H-N 126.787 8.852 I109H-N 125.399 9.125 R110H-N 130.638 9.06 R110HE-NE 90.053 10.015 R111H-N 127.745 9.229 Y112H-N 121.633 8.328 L113H-N 127.211 9.017 D115H-N 114.728 7.528 G116H-N 110.458 8.364 S117H-N 118.661 8.1 Y118H-N 113.649 7.577 E119H-N 118.677 9.007 D120H-N 125.076 8.522 W121H-N 125.114 9.585 W121HE1-NE1 129.364 9.798 G122H-N 112.74 9.977 V123H-N 124.579 8.409 D124H-N 115.016 8.688 E125H-N 118.776 7.751 L126H-N 119.995 7.068 I127H-N 122.814 8.632 I128H-N 130.618 8.451 T129H-N 121.522 8.428 D130H-N 129.614 8.029 A5H-N 126.004 8.236 T6H-N 113.664 8.11 S7H-N 118.29 8.274 S8H-N 118.186 8.319 E9H-N 124.975 8.041 E10H-N 127.06 8.569 V11H-N 126.019 8.412 L12H-N 129.149 9.522 L13H-N 120.432 7.669 I14H-N 126.359 8.057 V15H-N 129.197 9.231 K16H-N 126.577 8.606 K17H-N 117.241 8.647 V18H-N 122.634 8.401 R19H-N 131.497 9.871 Q20H-N 124.42 8.243 Q20HE21-NE2 111.436 6.693 Q20HE22-NE2 111.436 5.682 K21H-N 127.79 9.453 K22H-N 111.983 8.769 Q23H-N 120.208 7.748 Q23HE21-NE2 113.276 7.628 Q23HE22-NE2 113.276 6.928 D24H-N 124.69 8.802 G25H-N 113.089 7.864 A26H-N 123.133 7.863 L27H-N 124.829 9.027 Y28H-N 126.652 9.618 L29H-N 126.096 9.279 M30H-N 123.646 8.866 A31H-N 122.517 8.023 E32H-N 109.084 8.632 R33H-N 117.179 6.594 I34H-N 118.904 8.263 A35H-N 130.027 9.234 W36H-N 121.48 8.758 W36HE1-NE1 129.716 9.921 A37H-N 131.336 8.088 E39H-N 123.791 8.424 G40H-N 114.18 8.656 K41H-N 120.298 7.66 D42H-N 120.426 8.193 R43H-N 117.079 6.856 F44H-N 120.418 7.873 T45H-N 114.747 8.677 I46H-N 123.904 7.878 S47H-N 120.561 8.06 H48H-N 125.719 9.04 M49H-N 124.928 9.216 Y50H-N 125.592 7.81 A51H-N 119.863 8.814 D52H-N 115.919 7.859 I53H-N 125.313 7.695 K54H-N 129.144 9.122 C55H-N 111.162 7.865 Q56H-N 117.265 8.33 Q56HE21-NE2 105.161 7.111 Q56HE22-NE2 105.161 6.409 K57H-N 121.953 9.254 I58H-N 121.372 8.574 S59H-N 122.536 8.026 E61H-N 123.256 8.607 G62H-N 111.944 8.517 K63H-N 121.023 7.714 K65H-N 118.556 7.697 I66H-N 126.897 8.997 Q67H-N 127.431 8.579 Q67HE21-NE2 112.853 7.566 Q67HE22-NE2 112.853 7.009 L68H-N 125.642 9.064 Q69H-N 127.182 9.279 Q69HE22-NE2 110.971 6.242 L70H-N 124.559 9.111 V71H-N 124.37 8.475 L72H-N 129.263 8.785 H73H-N 122.987 8.15 A74H-N 119.184 8.524 G75H-N 105.992 7.642 D76H-N 119.927 7.8 T77H-N 112.052 8.181 T78H-N 121.953 8.556 N79H-N 127.01 8.715 N79HD21-ND2 112.069 7.105 N79HD22-ND2 112.069 6.69 F80H-N 122.735 8.923 H81H-N 123.919 8.984 F82H-N 132.012 9.122 S83H-N 121.239 7.959 N84H-N 125.447 9.187 N84HD21-ND2 117.5 8.368 N84HD22-ND2 117.5 6.82 E85H-N 127.443 8.703 S86H-N 113.256 8.636 T87H-N 109.803 7.333 A88H-N 126.506 7.697 V89H-N 116.688 8.25 K90H-N 120.782 7.574 E91H-N 122.183 8.451 R92H-N 121.182 8.286 D93H-N 120.795 8.284 A94H-N 124.359 7.824 V95H-N 120.655 7.969 K96H-N 122.297 8.735 D97H-N 121.135 8.548 L98H-N 122.652 7.633 L99H-N 120.753 8.909 Q100H-N 118.144 8.35 Q100HE21-NE2 113.155 7.532 Q100HE22-NE2 113.155 6.86 Q101H-N 116.125 7.265 Q101HE22-NE2 113.636 6.833 L102H-N 121.805 8.162 L103H-N 118.457 8.689 K105H-N 117.086 7.159 F106H-N 116.58 7.394 K107H-N 121.951 7.131 R108H-N 126.127 8.657 K109H-N 124.753 8.448 A110H-N 127.181 8.331 N111H-N 124.423 7.938 N111HD21-ND2 113.835 7.45 N111HD22-ND2 113.835 6.738