Assignment w1 w2 R5H-N 122.853 8.477 K6H-N 123.325 8.428 K7H-N 123.381 8.287 I8H-N 123.0 8.028 F9H-N 125.465 8.937 K10H-N 123.841 9.226 E12H-N 118.072 9.749 E13H-N 119.998 7.205 L14H-N 119.36 7.856 R15H-N 118.601 8.145 R15HE-NE 123.615 7.799 Q16H-N 115.607 7.789 Q16HE21-NE2 111.642 7.588 Q16HE22-NE2 111.642 6.828 A17H-N 117.143 7.446 L18H-N 111.121 7.989 M19H-N 123.156 8.677 T21H-N 126.696 7.479 L22H-N 125.009 7.041 E23H-N 119.319 8.77 A24H-N 118.915 7.579 L25H-N 114.753 7.27 Y26H-N 116.986 7.894 R27H-N 112.973 7.833 R27HE-NE 123.771 7.321 Q28H-N 117.365 7.291 Q28HE21-NE2 115.366 7.944 Q28HE22-NE2 115.366 6.995 D29H-N 112.064 8.259 E31H-N 123.927 9.475 S32H-N 123.599 8.008 L33H-N 124.313 7.989 F35H-N 113.834 8.027 R36H-N 117.757 7.167 R36HE-NE 121.922 6.441 Q37H-N 113.984 7.584 Q37HE21-NE2 111.515 7.424 Q37HE22-NE2 111.515 6.837 V39H-N 125.467 8.449 D40H-N 128.078 7.28 Q42H-N 115.143 7.761 Q42HE21-NE2 112.213 7.656 Q42HE22-NE2 112.213 6.875 L43H-N 121.909 7.414 L44H-N 114.214 7.544 G45H-N 127.934 7.388 I46H-N 111.902 7.862 D48H-N 118.374 8.428 Y49H-N 122.143 7.997 F50H-N 113.29 8.509 D51H-N 117.756 7.636 I52H-N 118.84 7.182 V53H-N 122.462 8.617 K54H-N 123.149 7.66 N55H-N 116.991 8.59 N55HD21-ND2 114.06 6.9 N55HD22-ND2 114.06 7.61 M57H-N 119.069 8.428 D58H-N 120.764 7.267 L59H-N 119.143 8.814 S60H-N 115.677 8.236 T61H-N 122.07 7.25 I62H-N 123.695 7.527 K63H-N 119.131 8.778 R64H-N 117.994 7.811 K65H-N 121.999 8.474 L66H-N 120.534 8.568 D67H-N 119.999 9.133 T68H-N 125.159 7.755 G69H-N 109.896 7.43 Q70H-N 114.733 8.377 Q70HE21-NE2 113.299 7.306 Q70HE22-NE2 113.299 6.814 Y71H-N 117.685 8.115 Q72H-N 120.687 8.904 Q72HE21-NE2 112.904 7.596 Q72HE22-NE2 112.904 6.762 E73H-N 114.202 7.665 W75H-N 115.292 7.915 W75HE1-NE1 110.668 10.292 Q76H-N 118.535 6.93 Y77H-N 120.537 6.289 V78H-N 119.141 7.329 D79H-N 116.984 8.434 D80H-N 121.766 7.17 V81H-N 121.686 7.41 W82H-N 115.216 7.944 W82HE1-NE1 127.395 10.507 L83H-N 122.922 8.073 M84H-N 117.585 7.318 F85H-N 118.753 7.482 N86H-N 118.831 9.603 N86HD21-ND2 111.659 7.796 N86HD22-ND2 111.659 7.21 N87H-N 119.233 8.924 A88H-N 121.462 7.311 W89H-N 119.924 8.663 W89HE1-NE1 127.016 8.853 L90H-N 118.683 7.636 Y91H-N 115.601 8.325 N92H-N 112.994 7.634 R93H-N 118.066 8.797 K94H-N 122.843 8.82 T95H-N 122.619 6.879 S96H-N 118.226 7.861 R97H-N 123.616 8.822 V98H-N 114.983 8.038 Y99H-N 121.304 7.315 K100H-N 118.145 7.762 F101H-N 121.364 9.17 C102H-N 120.158 8.546 S103H-N 112.838 8.458 K104H-N 122.607 7.797 L105H-N 118.836 8.004 A106H-N 120.532 7.963 E107H-N 119.065 7.487 V108H-N 120.383 7.791 F109H-N 119.236 9.078 E110H-N 116.372 8.555 Q111H-N 115.134 7.33 E112H-N 116.602 7.933 I113H-N 117.688 8.832 D114H-N 122.612 6.979 V116H-N 117.993 6.561 M117H-N 118.525 8.457 Q118H-N 118.064 8.029 Q118HE21-NE2 112.768 7.593 Q118HE22-NE2 112.768 6.779 S119H-N 113.909 7.612 L120H-N 121.845 7.595 G121H-N 112.588 7.605