Assignment w1 w2 S2H-N 115.693 8.631 M3H-N 123.111 8.641 F5H-N 121.126 8.177 A6H-N 121.17 8.444 E7H-N 118.932 8.454 D8H-N 120.471 8.316 K9H-N 118.335 8.249 T10H-N 119.222 7.897 Y11H-N 123.054 8.605 K12H-N 118.366 8.066 Y13H-N 120.539 7.875 I14H-N 121.893 8.154 C15H-N 113.894 7.551 R16H-N 119.228 7.991 R16HE-NE 84.347 7.224 N17H-N 117.367 7.643 N17HD21-ND2 117.197 6.796 N17HD22-ND2 117.197 6.165 F18H-N 122.356 6.992 S19H-N 112.937 8.84 N20H-N 118.809 8.13 N20HD21-ND2 111.354 7.223 N20HD22-ND2 111.354 6.969 F21H-N 115.75 8.062 C22H-N 113.958 6.85 N23H-N 116.691 8.251 N23HD21-ND2 112.948 7.434 N23HD22-ND2 112.948 6.71 V24H-N 122.431 7.573 D25H-N 127.219 8.687 V26H-N 127.835 9.409 V27H-N 114.324 8.038 E28H-N 117.009 7.22 I29H-N 114.08 7.647 L30H-N 121.867 7.434 Y32H-N 113.832 7.628 L33H-N 118.331 7.619 C35H-N 110.978 6.414 L36H-N 123.111 7.55 T37H-N 113.831 8.586 A38H-N 124.128 8.836 R39H-N 116.793 8.06 R39HE-NE 84.501 7.104 D40H-N 120.03 7.782 Q41H-N 118.223 8.476 Q41HE21-NE2 110.765 6.661 Q41HE22-NE2 110.765 6.6 D42H-N 117.908 8.386 R43H-N 120.99 8.13 R43HE-NE 84.815 7.212 L44H-N 121.219 8.179 R45H-N 119.31 8.296 R45HE-NE 84.166 7.34 A46H-N 121.305 7.774 T47H-N 115.017 8.167 C48H-N 123.609 8.084 T49H-N 115.52 7.735 L50H-N 120.099 7.464 S51H-N 111.979 8.781 G52H-N 110.194 7.955 N53H-N 121.05 8.898 N53HD21-ND2 117.046 8.06 N53HD22-ND2 117.046 7.876 R54H-N 119.825 8.696 R54HE-NE 84.966 7.318 D55H-N 116.032 9.036 T56H-N 115.848 7.782 L57H-N 125.987 8.74 W58H-N 116.672 7.642 W58HE1-NE1 129.446 9.564 H59H-N 115.754 7.407 L60H-N 123.934 8.996 F61H-N 117.721 8.201 N62H-N 115.695 7.666 N62HD21-ND2 111.618 7.22 N62HD22-ND2 111.618 6.677 T63H-N 115.11 7.782 L64H-N 121.559 8.362 Q65H-N 109.15 6.458 Q65HE21-NE2 109.699 6.744 Q65HE22-NE2 109.699 6.108 R66H-N 116.029 6.596 R66HE-NE 84.716 6.885 R67H-N 120.422 7.932 R67HE-NE 84.291 7.448 G69H-N 111.953 9.198 W70H-N 117.467 7.647 W70HE1-NE1 130.192 10.261 V71H-N 121.482 6.666 E72H-N 116.35 7.41 Y73H-N 116.75 7.159 F74H-N 121.61 9.007 I75H-N 119.2 8.644 A76H-N 119.624 7.476 A77H-N 123.625 8.524 L78H-N 118.114 8.153 R79H-N 117.83 7.945 R79HE-NE 84.17 7.067 G80H-N 110.202 8.269 C81H-N 115.567 7.132 E82H-N 111.759 7.772 L83H-N 124.692 8.167 V84H-N 118.32 7.141 D85H-N 118.733 8.385 L86H-N 121.026 7.77 A87H-N 121.525 8.126 D88H-N 115.349 8.41 E89H-N 122.529 8.012 V90H-N 119.148 8.291 A91H-N 120.709 8.548 S92H-N 113.035 7.969 V93H-N 123.417 7.713 Y94H-N 121.458 8.395 Q95H-N 115.549 8.167 Q95HE21-NE2 111.557 7.312 Q95HE22-NE2 111.557 6.733 S96H-N 115.923 7.642 Y97H-N 119.565 7.069 Q98H-N 119.872 7.409 Q98HE21-NE2 110.481 6.153 Q98HE22-NE2 110.481 6.039 R100H-N 121.759 8.423 R100HE-NE 84.708 7.071 T101H-N 115.292 8.179 S102H-N 119.949 8.17