Assignment w1 w2 S5H-N 115.715 8.258 S6H-N 117.989 8.506 G7H-N 110.864 8.446 L8H-N 121.525 8.133 E9H-N 121.435 8.564 S10H-N 115.855 8.213 E11H-N 122.527 8.39 E12H-N 121.951 8.371 V13H-N 120.99 8.087 D14H-N 123.082 8.412 L15H-N 124.443 8.315 N16H-N 116.851 8.322 N16HD21-ND2 113.29 7.002 N16HD22-ND2 113.29 7.734 A17H-N 123.059 7.925 G18H-N 107.099 8.649 L19H-N 120.099 7.619 H20H-N 117.089 7.776 G21H-N 108.301 8.087 N22H-N 108.121 8.044 N22HD21-ND2 113.29 6.789 N22HD22-ND2 113.29 7.273 W23H-N 119.934 6.875 W23HE1-NE1 126.349 9.822 T24H-N 118.668 9.868 L25H-N 120.777 9.029 E26H-N 114.005 8.136 N27H-N 114.057 7.382 N27HD21-ND2 106.466 5.797 N27HD22-ND2 106.466 4.984 A28H-N 123.408 8.128 K29H-N 119.002 8.319 A30H-N 119.769 8.439 R31H-N 118.703 7.179 R31HE-NE 85.263 8.935 L32H-N 123.996 8.422 N33H-N 116.942 8.137 N33HD21-ND2 111.734 6.884 N33HD22-ND2 111.734 7.661 Q34H-N 119.61 7.725 Q34HE21-NE2 111.102 6.923 Q34HE22-NE2 111.102 7.507 Y35H-N 122.312 7.834 F36H-N 117.719 8.667 Q37H-N 117.211 8.085 Q37HE21-NE2 111.796 6.856 Q37HE22-NE2 111.796 7.449 K38H-N 120.761 8.081 E39H-N 114.609 8.065 K40H-N 116.665 7.716 I41H-N 117.095 7.994 Q42H-N 122.58 8.202 Q42HE21-NE2 112.352 6.765 Q42HE22-NE2 112.352 7.467 G43H-N 110.969 7.364 E44H-N 122.675 8.105 Y45H-N 123.367 8.245 K46H-N 122.791 8.856 Y47H-N 125.575 9.13 T48H-N 118.773 9.266 Q49H-N 127.36 8.976 Q49HE21-NE2 112.77 7.1 Q49HE22-NE2 112.77 7.3 V50H-N 123.634 8.513 G51H-N 109.656 8.188 D53H-N 118.547 8.578 N55H-N 121.628 7.655 N55HD21-ND2 110.864 7.437 N55HD22-ND2 110.864 6.722 R56H-N 122.254 8.238 S57H-N 117.701 8.788 F58H-N 114.344 8.521 I59H-N 120.432 9.066 A60H-N 127.317 9.089 E61H-N 120.138 8.787 M62H-N 120.567 8.089 T63H-N 120.331 8.145 I64H-N 121.26 8.55 Y65H-N 125.955 8.863 I66H-N 128.371 8.202 K67H-N 130.709 8.845 Q68H-N 116.342 9.116 Q68HE21-NE2 113.071 7.255 Q68HE22-NE2 113.071 7.668 L69H-N 113.298 6.736 G70H-N 109.179 7.904 R71H-N 113.484 6.763 R71HE-NE 83.428 7.14 R72H-N 121.439 8.663 I73H-N 116.96 8.737 F74H-N 120.859 8.773 A75H-N 124.689 8.19 R76H-N 122.757 8.475 E77H-N 123.263 8.783 H78H-N 119.205 9.03 G79H-N 106.851 8.908 S80H-N 115.082 8.83 N81H-N 112.34 7.507 N81HD21-ND2 112.973 6.782 N81HD22-ND2 112.973 7.482 K82H-N 119.416 8.232 K83H-N 119.618 7.717 L84H-N 120.356 8.638 A85H-N 123.08 8.143 A86H-N 120.038 8.293 Q87H-N 117.942 8.173 Q87HE21-NE2 109.915 6.842 Q87HE22-NE2 109.915 7.23 S88H-N 115.966 8.085 C89H-N 124.36 8.466 A90H-N 119.934 8.746 L91H-N 116.952 7.791 S92H-N 112.551 7.669 L93H-N 119.516 7.93 V94H-N 119.562 8.656 R95H-N 117.825 8.685 Q96H-N 117.831 7.996 Q96HE21-NE2 108.965 6.428 Q96HE22-NE2 108.965 7.029 L97H-N 119.405 8.416 Y98H-N 122.037 8.686 H99H-N 120.686 8.604 L100H-N 117.721 7.906 G101H-N 107.93 7.775 V102H-N 117.728 7.964 I103H-N 112.868 6.669 E104H-N 123.424 9.174 A105H-N 120.34 8.46 Y106H-N 123.923 7.862 S107H-N 120.04 7.186 S108H-N 117.614 7.907 G109H-N 110.485 8.057 S111H-N 116.513 8.482 S112H-N 117.868 8.299 G113H-N 116.851 8.013