Assignment w1 w2 H3H-N 119.663 8.623 M4H-N 122.681 8.389 D5H-N 121.969 8.366 Y6H-N 120.625 8.145 D7H-N 120.15 8.349 M8H-N 117.239 7.636 L9H-N 121.73 8.262 T10H-N 115.059 8.752 E11H-N 120.23 9.009 E12H-N 119.327 8.59 Q13H-N 120.033 7.755 Q13HE21-NE2 110.923 7.585 Q13HE22-NE2 110.923 6.643 K14H-N 117.8 7.93 K15H-N 119.25 7.732 K16H-N 116.935 7.803 L17H-N 116.281 7.563 K18H-N 116.998 7.678 E19H-N 114.162 7.594 D20H-N 120.087 7.043 H21H-N 129.491 9.156 T22H-N 117.308 8.288 L23H-N 122.566 8.799 K24H-N 117.697 7.415 I25H-N 117.144 7.27 L26H-N 122.035 8.169 L27H-N 113.122 8.119 K28H-N 119.875 7.508 N29H-N 116.122 6.758 N29HD21-ND2 112.416 7.634 N29HD22-ND2 112.416 7.397 N30H-N 127.187 9.2 N30HD21-ND2 114.069 7.688 N30HD22-ND2 114.069 7.044 Y31H-N 121.201 8.091 V32H-N 117.34 6.853 R33H-N 115.143 7.257 R33HE-NE 85.527 7.414 E34H-N 119.268 7.94 V35H-N 120.827 7.716 F36H-N 121.477 8.895 K37H-N 120.532 8.863 Q38H-N 118.543 8.272 Q38HE21-NE2 112.842 7.537 Q38HE22-NE2 112.842 6.877 F39H-N 122.571 8.639 T40H-N 111.339 7.903 L41H-N 119.893 7.06 S42H-N 115.296 7.114 N43H-N 122.393 8.583 N43HD21-ND2 113.14 7.647 N43HD22-ND2 113.14 6.977 D44H-N 120.753 8.365 K45H-N 123.95 8.204 I46H-N 118.451 8.409 G47H-N 111.037 8.012 Y48H-N 123.979 8.537 L49H-N 118.926 8.514 S50H-N 114.946 8.31 H51H-N 118.702 7.438 Y52H-N 116.317 8.224 I53H-N 116.864 6.943 N54H-N 115.699 8.143 N54HD21-ND2 113.8 7.6 N54HD22-ND2 113.8 6.914 D55H-N 123.914 7.697 T57H-N 115.058 8.043 I58H-N 121.581 7.889 V59H-N 121.332 8.875 Q60H-N 115.919 7.638 Q60HE21-NE2 112.185 7.68 Q60HE22-NE2 112.185 6.894 V61H-N 117.832 7.319 I62H-N 122.025 8.429 D63H-N 119.286 8.925 H64H-N 118.684 7.77 I65H-N 122.274 8.776 M66H-N 114.591 8.136 K67H-N 119.502 7.9 T68H-N 116.904 7.955 I69H-N 111.181 7.598 D70H-N 122.381 7.342 D71H-N 122.796 8.179 T72H-N 119.112 7.802 I2H-N 119.906 8.319 Y3H-N 120.003 7.825 T4H-N 116.855 8.063 Y5H-N 120.769 7.946 E6H-N 118.928 7.941 K7H-N 117.175 8.307 K8H-N 118.866 8.339 L9H-N 123.704 8.469 I10H-N 118.722 8.335 K11H-N 115.116 7.971 S12H-N 118.274 8.336 I13H-N 122.892 8.169 E14H-N 120.905 8.415 Y15H-N 120.28 8.112 I16H-N 120.137 8.322 T17H-N 115.351 7.997 K18H-N 124.191 8.489 N19H-N 114.707 6.732 N19HD21-ND2 117.469 6.961 N19HD22-ND2 117.469 6.698 K20H-N 118.527 7.787 F21H-N 108.458 7.482 F22H-N 108.759 7.518 D23H-N 119.984 7.715 D24H-N 120.45 8.583 S25H-N 120.982 7.858