Assignment w1 w2 I3H-N 123.622 8.271 S4H-N 120.605 8.425 G5H-N 111.455 8.406 A6H-N 123.66 8.103 T7H-N 113.014 8.108 S8H-N 118.032 8.222 V9H-N 121.129 8.098 D10H-N 123.102 8.242 Q11H-N 121.449 8.247 Q11HE21-NE2 112.663 6.779 Q11HE22-NE2 112.663 7.424 R12H-N 121.029 8.215 S13H-N 121.168 8.483 L14H-N 115.731 8.124 I15H-N 119.991 7.859 N16H-N 120.78 8.014 N16HD21-ND2 113.116 6.705 N16HD22-ND2 113.116 7.493 S17H-N 115.64 8.121 N18H-N 121.876 8.376 N18HD21-ND2 112.732 7.481 N18HD22-ND2 112.732 6.787 V19H-N 120.48 8.022 G20H-N 112.265 8.567 F21H-N 119.701 7.917 V22H-N 120.733 9.221 T23H-N 123.388 8.403 M24H-N 125.957 9.289 I25H-N 117.652 8.572 L26H-N 130.281 8.901 Q27H-N 125.4 9.33 Q27HE21-NE2 111.536 6.61 Q27HE22-NE2 111.536 7.421 C28H-N 124.065 8.585 S29H-N 121.076 8.519 I30H-N 117.987 7.343 E31H-N 119.585 7.901 M32H-N 126.504 8.406 N34H-N 107.313 7.077 N34HD21-ND2 116.451 7.964 N34HD22-ND2 116.451 7.223 I35H-N 122.015 9.109 S36H-N 119.851 8.936 Y37H-N 122.338 7.808 A38H-N 120.761 7.364 W39H-N 115.813 7.134 W39HE1-NE1 129.943 10.081 K40H-N 117.209 8.091 E41H-N 119.521 6.674 L42H-N 117.269 7.866 K43H-N 117.633 8.458 E44H-N 120.906 8.013 Q45H-N 113.584 7.665 Q45HE21-NE2 112.369 7.082 Q45HE22-NE2 112.369 5.503 L46H-N 114.594 8.652 G47H-N 110.084 7.642 E48H-N 118.535 8.348 E49H-N 114.46 8.498 I50H-N 121.524 7.617 D51H-N 119.881 7.926 S52H-N 113.164 7.888 K53H-N 120.411 7.714 V54H-N 116.701 7.041 K55H-N 125.891 9.138 G56H-N 109.312 8.489 M57H-N 118.391 8.039 V58H-N 124.257 8.78 F59H-N 120.512 8.432 L60H-N 120.934 8.291 K61H-N 122.117 8.371 G62H-N 114.59 8.87 K63H-N 111.406 8.129 G65H-N 105.164 7.375 V66H-N 111.49 9.127 C67H-N 116.847 8.914 F68H-N 116.013 8.118 D69H-N 119.562 8.999 V70H-N 114.283 8.913 T72H-N 121.039 8.235 A73H-N 120.196 8.466 S74H-N 112.214 8.019 V75H-N 121.652 7.222 T76H-N 113.812 8.107 E77H-N 121.634 7.737 I78H-N 119.383 7.694 Q79H-N 116.015 8.319 Q79HE21-NE2 110.596 7.349 Q79HE22-NE2 110.596 6.584 E80H-N 116.824 7.884 K81H-N 118.113 7.396 W82H-N 119.572 7.966 W82HE1-NE1 133.335 11.412 H83H-N 126.139 8.566 D84H-N 125.751 8.913 S85H-N 116.332 9.621 R86H-N 118.68 8.695 R87H-N 117.323 7.71 W88H-N 115.976 7.374 W88HE1-NE1 128.905 9.815 Q89H-N 118.426 8.803 Q89HE21-NE2 110.338 7.293 Q89HE22-NE2 110.338 5.727 L90H-N 127.68 8.518 S91H-N 121.513 8.979 V92H-N 120.29 8.277 A93H-N 130.076 8.521 T94H-N 113.705 8.099 E95H-N 127.166 7.896