Assignment w1 w2 E2H-N 121.61 8.733 R3H-N 121.244 8.463 R3HE-NE 84.816 7.071 Y5H-N 117.899 7.899 A6H-N 127.862 8.505 C7H-N 125.542 8.383 V9H-N 126.703 8.588 E10H-N 129.487 8.725 S11H-N 113.636 8.238 C12H-N 125.629 8.029 D13H-N 124.443 8.386 R14H-N 120.889 8.27 R14HE-NE 83.498 7.157 R15H-N 118.058 7.594 R15HE-NE 84.307 7.057 F16H-N 117.264 8.796 S17H-N 117.202 9.402 R18H-N 117.934 7.774 R18HE-NE 84.57 7.866 S19H-N 119.144 8.582 D20H-N 119.668 8.621 E21H-N 119.755 6.976 L22H-N 120.756 6.894 T23H-N 115.603 8.215 R24H-N 118.729 7.344 R24HE-NE 84.324 7.325 H25H-N 119.058 7.568 I26H-N 116.567 8.389 R27H-N 117.312 6.971 R27HE-NE 84.529 7.219 I28H-N 116.96 7.846 H29H-N 118.693 7.414 T30H-N 112.844 7.851 G31H-N 110.879 8.349 Q32H-N 119.302 8.055 Q32HE21-NE2 112.64 7.532 Q32HE22-NE2 112.64 6.86 K33H-N 122.43 8.261 F35H-N 118.618 8.208 Q36H-N 123.942 8.463 Q36HE21-NE2 112.732 7.658 Q36HE22-NE2 112.732 6.836 C37H-N 128.668 9.164 R38H-N 130.084 9.105 R38HE-NE 84.455 7.315 I39H-N 121.635 8.856 C40H-N 116.946 8.208 M41H-N 117.019 8.047 R42H-N 121.708 7.978 R42HE-NE 84.893 7.103 N43H-N 119.193 8.161 N43HD21-ND2 112.058 7.297 N43HD22-ND2 112.058 6.715 F44H-N 117.837 8.737 S45H-N 115.774 9.672 R46H-N 117.337 7.232 R46HE-NE 84.561 8.02 S47H-N 118.973 8.466 D48H-N 120.072 8.63 H49H-N 119.486 7.168 L50H-N 120.891 7.155 T51H-N 116.202 8.383 T52H-N 116.946 7.926 H53H-N 120.793 7.649 I54H-N 121.928 8.929 R55H-N 118.107 7.072 R55HE-NE 84.47 7.257 T56H-N 110.011 7.807 H57H-N 118.742 7.357 T58H-N 113.43 7.815 G59H-N 111.232 8.409 E60H-N 120.145 8.042 K61H-N 121.879 8.37 F63H-N 117.312 7.943 A64H-N 126.617 8.98 C65H-N 124.98 9.35 D66H-N 131.41 9.409 I67H-N 121.586 8.766 C68H-N 116.287 8.187 G69H-N 113.039 7.959 R70H-N 122.82 8.089 R70HE-NE 84.698 7.115 K71H-N 120.476 7.895 F72H-N 117.288 8.647 A73H-N 123.515 9.233 R74H-N 112.551 7.696 R74HE-NE 84.724 7.966 S75H-N 119.79 8.513 D76H-N 120.525 8.794 E77H-N 120.853 7.021 R78H-N 120.512 7.046 R78HE-NE 82.654 7.641 K79H-N 120.512 8.103 R80H-N 118.411 7.683 R80HE-NE 84.419 7.375 H81H-N 118.46 7.569 T82H-N 111.099 8.086 K83H-N 118.875 7.031 I84H-N 116.276 7.781 H85H-N 116.984 7.253 L86H-N 120.303 7.51 R87H-N 120.865 8.114 R87HE-NE 84.769 7.24 Q88H-N 121.806 8.35 Q88HE21-NE2 112.885 6.825 Q88HE22-NE2 112.885 7.619 K89H-N 122.954 8.331 D90H-N 127.252 7.993