Assignment w1 w2 D5H-N 121.004 8.235 D6H-N 120.889 8.501 F7H-N 122.795 8.344 Q8H-N 116.234 8.494 N9H-N 118.223 7.808 F10H-N 125.036 6.935 V11H-N 118.514 7.458 A12H-N 119.238 8.031 T13H-N 116.426 7.643 L14H-N 126.325 7.989 E15H-N 116.131 8.507 S16H-N 114.452 7.656 F17H-N 124.018 8.091 K18H-N 116.59 7.86 D19H-N 116.345 7.283 L20H-N 119.803 7.239 K21H-N 126.041 9.211 S22H-N 109.912 8.614 G23H-N 106.341 6.632 I24H-N 118.86 7.924 S25H-N 117.963 5.678 G26H-N 120.266 8.597 S27H-N 120.54 9.856 R28H-N 123.821 8.052 I29H-N 120.581 8.385 K30H-N 124.214 8.238 K31H-N 120.404 7.462 L32H-N 118.35 8.187 T33H-N 116.5 8.065 T34H-N 119.033 8.682 Y35H-N 120.329 7.672 A36H-N 121.466 8.546 L37H-N 120.724 8.35 D38H-N 119.033 7.56 H39H-N 118.154 7.098 I40H-N 121.897 7.643 D41H-N 114.896 8.444 I42H-N 113.813 7.456 E43H-N 120.843 8.202 S44H-N 113.802 8.743 K45H-N 121.257 7.333 I46H-N 121.022 7.354 I47H-N 118.571 9.381 S48H-N 113.052 7.391 L49H-N 119.986 7.483 I50H-N 115.465 8.091 I51H-N 125.143 8.205 D52H-N 119.528 7.859 Y53H-N 118.392 8.27 S54H-N 111.646 7.326 R55H-N 114.874 7.918 R55HE-NE 110.237 7.648 L56H-N 116.308 7.798 C57H-N 119.073 7.725 D59H-N 123.683 8.711 S60H-N 110.638 8.127 H61H-N 122.412 8.136 K62H-N 121.66 7.523 G64H-N 105.357 8.623 S65H-N 117.771 7.907 L66H-N 124.196 7.418 Y67H-N 121.494 8.021 I68H-N 121.455 7.827 I69H-N 117.951 6.89 D70H-N 118.891 9.112 S71H-N 110.356 7.934 I72H-N 117.56 7.914 G73H-N 107.367 8.856 R74H-N 118.102 8.713 A75H-N 123.786 7.683 Y76H-N 119.931 8.665 L77H-N 123.397 8.76 D78H-N 120.195 7.9 E79H-N 120.434 7.508 T80H-N 111.017 7.891 R81H-N 120.21 7.475 R81HE-NE 107.901 7.687 S82H-N 113.575 7.739 N83H-N 119.962 7.804 S84H-N 116.799 8.352 N85H-N 120.087 8.362 S86H-N 116.068 8.102 S87H-N 117.615 8.269 S88H-N 122.455 8.377 N89H-N 115.43 8.141 K90H-N 128.033 7.968 G92H-N 112.479 10.143 T93H-N 106.285 7.193 C94H-N 121.517 8.787 A95H-N 119.659 8.4 H96H-N 118.081 7.637 A97H-N 123.688 7.359 I98H-N 115.322 7.921 N99H-N 120.705 7.988 N99HD21-ND2 112.929 6.871 N99HD22-ND2 112.929 7.633 T100H-N 117.802 8.308 G102H-N 105.787 8.591 E103H-N 116.446 7.473 V104H-N 108.36 7.029 I105H-N 123.811 7.206 Q106H-N 121.096 8.558 Q106HE21-NE2 110.124 6.371 Q106HE22-NE2 110.124 6.87 E107H-N 122.741 7.771 L108H-N 116.584 8.014 L109H-N 118.725 8.809 S110H-N 114.085 8.172 D111H-N 120.466 7.629 A112H-N 117.326 7.659 I113H-N 119.01 8.679 A114H-N 120.054 7.717 K115H-N 113.895 7.251 S116H-N 115.838 7.132 N117H-N 119.723 8.45 N117HD21-ND2 109.862 6.236 N117HD22-ND2 109.862 7.217 Q118H-N 117.542 8.424 D119H-N 119.3 7.97 H120H-N 118.873 8.71 K121H-N 120.748 8.996 E122H-N 117.889 7.616 K123H-N 119.116 7.548 I124H-N 123.085 8.363 R125H-N 122.183 7.998 M126H-N 115.183 7.459 L127H-N 122.4 7.49 D129H-N 116.938 7.049 I130H-N 124.125 7.676 W131H-N 125.455 8.841 D132H-N 109.207 7.546 R133H-N 117.715 8.137 S134H-N 110.755 8.304 G135H-N 108.62 8.156 L136H-N 108.782 8.223 K139H-N 120.713 7.503 S140H-N 125.578 8.597 Y141H-N 123.049 7.04 L142H-N 116.973 7.332 I145H-N 117.746 7.212 R146H-N 121.072 8.468 S147H-N 111.818 8.183 K148H-N 118.64 7.843 C149H-N 113.294 8.283 F150H-N 116.12 7.452 A151H-N 122.612 7.722 M152H-N 118.267 8.107 D153H-N 121.689 8.299 L154H-N 122.366 8.078 E155H-N 120.092 8.177 H156H-N 118.98 8.008 H157H-N 121.878 8.575 H158H-N 125.581 7.858 H159H-N 121.898 8.332