Assignment w1 w2 T3H-N 116.694 8.491 S4H-N 117.139 8.295 L6H-N 118.694 7.549 L7H-N 116.449 7.821 A8H-N 118.519 7.437 L9H-N 116.242 7.328 L10H-N 115.87 7.356 L11H-N 117.105 7.345 K13H-N 120.565 8.194 S14H-N 117.371 8.152 Q16H-N 119.395 8.226 Q16HE21-NE2 111.967 7.344 Q16HE22-NE2 111.967 6.665 G17H-N 109.49 8.134 E18H-N 120.268 8.114 N19H-N 119.091 8.294 R20H-N 121.059 8.081 S21H-N 116.577 8.134 K22H-N 123.102 7.976 L24H-N 120.877 8.085 G25H-N 108.317 8.056 T26H-N 114.26 7.818 Y28H-N 118.811 7.724 N29H-N 119.885 8.07 N29HD21-ND2 112.593 6.749 N29HD22-ND2 112.593 7.417 F30H-N 121.318 8.094 S31H-N 114.741 8.203 E32H-N 120.934 7.862 H33H-N 115.491 7.85 C34H-N 118.719 7.956 Q35H-N 120.596 8.262 Q35HE21-NE2 112.091 7.413 Q35HE22-NE2 112.091 6.596 D36H-N 118.367 8.105 S37H-N 114.83 7.825 V38H-N 121.898 7.808 D39H-N 119.502 8.071 V40H-N 119.928 7.727 M41H-N 118.921 7.838 V42H-N 118.029 8.374 F43H-N 122.013 7.985 I44H-N 119.899 8.235 V45H-N 115.083 8.093 T46H-N 108.235 7.756 S47H-N 116.512 7.517 Y48H-N 120.061 7.537 S49H-N 114.708 7.984 I50H-N 123.36 8.64 E51H-N 119.726 8.545 T52H-N 116.68 7.743 V53H-N 120.878 7.681 V54H-N 118.07 8.35 G55H-N 107.736 7.865 V56H-N 121.858 7.841 L57H-N 119.239 8.173 G58H-N 106.733 8.628 N59H-N 120.145 7.768 N59HD21-ND2 111.897 7.385 N59HD22-ND2 111.897 6.781 L60H-N 120.94 8.224 C61H-N 117.581 8.243 L62H-N 118.773 7.798 M63H-N 119.498 8.032 C64H-N 116.494 7.877 V65H-N 116.65 7.782 T66H-N 114.669 7.812 V67H-N 120.172 7.845 R68H-N 119.734 7.833 Q69H-N 117.349 7.867 Q69HE21-NE2 111.004 7.287 Q69HE22-NE2 111.004 6.694 K70H-N 119.213 7.91 E71H-N 118.08 8.136 K72H-N 120.08 7.937 A73H-N 122.294 7.997 N74H-N 116.798 8.018 N74HD21-ND2 112.344 7.493 N74HD22-ND2 112.344 6.795 V75H-N 119.114 8.089 T76H-N 114.4 7.933 N77H-N 118.684 7.927 N77HD21-ND2 111.587 6.728 N77HD22-ND2 111.587 7.491 L78H-N 120.146 7.662 L79H-N 118.803 7.751 I80H-N 115.998 7.733 A81H-N 121.516 7.735 N82H-N 114.389 7.667 N82HD21-ND2 111.734 6.72 N82HD22-ND2 111.734 7.48 L83H-N 121.07 7.704 A84H-N 122.79 8.025 F85H-N 117.088 7.842 S86H-N 114.77 8.013 D87H-N 122.013 8.093 F88H-N 120.198 7.935 L89H-N 118.322 7.876 M90H-N 115.761 7.937 C91H-N 117.535 7.684 L92H-N 119.597 7.53 L93H-N 113.463 7.547 C94H-N 113.323 7.477 Q95H-N 119.032 7.937 Q95HE21-NE2 111.142 7.284 Q95HE22-NE2 111.142 6.633 L97H-N 117.345 8.103 T98H-N 113.005 7.676 A99H-N 124.519 7.835 V100H-N 116.201 7.679 Y101H-N 118.579 7.943 T102H-N 114.902 7.907 I103H-N 120.209 7.786 M104H-N 117.854 8.024 D105H-N 118.278 8.003 Y106H-N 118.423 7.862 W107H-N 120.391 8.185 W107HE1-NE1 128.128 9.864 I108H-N 117.284 7.764 F109H-N 119.86 7.699 G110H-N 107.841 8.067 E111H-N 119.817 8.192 T112H-N 113.647 7.775 L113H-N 121.633 7.887 C114H-N 115.726 7.809 K115H-N 119.396 7.808 H116H-N 116.46 7.902 H117H-N 125.037 8.07