Assignment w1 w2 H3H-N 119.205 8.503 M4H-N 121.967 8.262 T5H-N 112.963 7.754 F6H-N 121.667 8.887 K7H-N 117.206 8.332 A8H-N 120.493 7.572 L9H-N 120.196 7.996 K10H-N 120.602 8.094 E11H-N 117.803 7.791 E12H-N 120.797 8.178 G13H-N 108.897 8.591 N14H-N 119.781 8.479 N14HD21-ND2 110.199 7.727 N14HD22-ND2 110.199 6.416 Q15H-N 121.798 8.151 Q15HE21-NE2 115.402 7.673 Q15HE22-NE2 115.402 6.758 C16H-N 118.015 8.082 V17H-N 120.61 7.983 N18H-N 122.452 7.835 N18HD21-ND2 112.228 7.265 N18HD22-ND2 112.228 6.75 D19H-N 118.435 7.671 K20H-N 114.692 7.715 N21H-N 118.448 8.154 N21HD21-ND2 112.886 7.695 N21HD22-ND2 112.886 7.401 Y22H-N 119.728 6.869 K23H-N 118.668 8.548 D24H-N 118.613 7.186 A25H-N 121.598 7.523 L26H-N 116.789 7.812 S27H-N 114.253 7.104 K28H-N 120.418 7.474 Y29H-N 117.068 8.592 S30H-N 115.673 8.4 E31H-N 122.532 7.722 C32H-N 118.318 8.137 L33H-N 117.551 7.478 K34H-N 116.428 7.028 I35H-N 118.582 7.308 N36H-N 116.95 8.196 N36HD21-ND2 110.413 6.238 N36HD22-ND2 110.413 6.67 N37H-N 122.537 8.186 N37HD21-ND2 109.642 7.323 N37HD22-ND2 109.642 6.65 K38H-N 117.135 8.038 E39H-N 121.569 7.839 C40H-N 126.858 8.94 A41H-N 121.961 8.925 I42H-N 113.813 7.223 Y43H-N 116.742 6.673 T44H-N 110.424 8.12 N45H-N 123.93 8.027 N45HD21-ND2 111.329 6.61 N45HD22-ND2 111.329 7.139 R46H-N 124.89 8.618 R46HE-NE 80.771 10.672 A47H-N 119.839 8.51 L48H-N 115.811 6.889 C49H-N 116.271 7.074 Y50H-N 116.738 8.092 L51H-N 119.891 8.492 K52H-N 119.228 7.795 L53H-N 118.805 7.257 C54H-N 112.934 7.733 Q55H-N 120.923 8.134 Q55HE21-NE2 108.607 6.903 Q55HE22-NE2 108.607 6.424 F56H-N 118.874 6.728 E57H-N 121.139 8.8 E58H-N 121.233 9.082 A59H-N 119.979 7.548 K60H-N 119.708 8.108 Q61H-N 117.111 7.961 Q61HE21-NE2 111.905 7.741 Q61HE22-NE2 111.905 6.657 D62H-N 121.584 7.62 C63H-N 119.118 7.791 D64H-N 120.188 8.49 Q65H-N 119.09 7.514 Q65HE21-NE2 111.639 6.872 Q65HE22-NE2 111.639 6.652 A66H-N 121.769 7.965 L67H-N 116.738 7.733 Q68H-N 118.042 7.262 Q68HE21-NE2 111.755 7.198 Q68HE22-NE2 111.755 6.628 L69H-N 118.642 7.067 A70H-N 123.528 7.854 D71H-N 121.832 8.181 G72H-N 108.221 8.426 N73H-N 117.045 6.667 N73HD21-ND2 112.639 7.123 N73HD22-ND2 112.639 7.101 V74H-N 127.32 8.419 K75H-N 118.935 7.914 A76H-N 120.525 7.756 F77H-N 116.149 7.797 Y78H-N 118.584 8.513 R79H-N 116.102 8.428 R80H-N 124.156 8.396 R80HE-NE 79.729 9.512 A81H-N 122.259 8.446 L82H-N 119.923 7.765 A83H-N 127.659 8.284 H84H-N 116.231 8.947 K85H-N 120.159 8.022 G86H-N 109.365 7.612 L87H-N 119.735 7.247 K88H-N 112.917 7.417 N89H-N 119.282 8.172 N89HD21-ND2 114.005 8.307 N89HD22-ND2 114.005 6.812 Y90H-N 119.917 6.974 Q91H-N 118.208 8.739 Q91HE21-NE2 111.749 7.26 Q91HE22-NE2 111.749 6.788 K92H-N 116.907 7.121 S93H-N 113.693 7.658 L94H-N 117.414 7.956 I95H-N 119.045 7.294 D96H-N 121.645 7.185 L97H-N 120.706 8.655 N98H-N 116.196 8.367 N98HD21-ND2 112.256 7.003 N98HD22-ND2 112.256 6.785 K99H-N 120.578 7.261 V100H-N 119.037 7.692 I101H-N 116.09 7.594 L102H-N 118.61 7.172 L103H-N 118.866 7.841 D104H-N 115.383 8.791 S106H-N 114.532 8.186 I107H-N 122.561 6.998 I108H-N 130.896 8.089 E109H-N 121.494 9.752 A110H-N 118.667 7.095 K111H-N 117.673 7.047 M112H-N 118.858 7.668 E113H-N 120.846 8.12 L114H-N 121.142 8.176 E115H-N 120.498 7.473 E116H-N 121.315 7.585 V117H-N 119.259 9.139 T118H-N 116.243 7.882 R119H-N 121.966 7.395 R119HE-NE 79.163 7.575 L120H-N 119.553 7.725 L121H-N 119.671 7.877 N122H-N 115.06 7.436 N122HD21-ND2 113.125 7.403 N122HD22-ND2 113.125 6.885 L123H-N 121.211 7.369 K124H-N 122.412 8.065 D125H-N 126.878 7.839