Assignment w1 w2 M15H-N 121.035 8.283 S16H-N 116.775 8.098 A17H-N 125.29 8.326 S18H-N 118.205 8.835 K19H-N 119.839 8.931 E20H-N 119.715 8.962 E21H-N 118.749 7.671 I22H-N 118.546 8.061 A23H-N 120.509 8.184 A24H-N 120.327 8.342 L25H-N 121.185 8.078 V27H-N 120.747 8.755 N28H-N 119.045 8.756 N28HD21-ND2 113.122 7.017 N28HD22-ND2 113.122 7.696 Y29H-N 121.74 8.065 F30H-N 118.921 8.4 S31H-N 116.451 9.096 S32H-N 117.608 7.916 I33H-N 122.015 7.258 V34H-N 118.1 7.673 E35H-N 121.969 8.722 K36H-N 115.254 7.805 K37H-N 115.312 7.921 E38H-N 117.027 8.097 I39H-N 114.486 7.255 S40H-N 118.98 8.018 E41H-N 120.797 8.858 D42H-N 117.437 8.374 G43H-N 110.125 8.024 A44H-N 124.794 8.647 D45H-N 119.01 7.835 S46H-N 116.117 7.68 L47H-N 120.682 8.448 N48H-N 121.048 8.504 N48HD21-ND2 112.81 6.855 N48HD22-ND2 112.81 7.524 V49H-N 119.543 7.436 A50H-N 120.119 8.299 M51H-N 115.417 8.926 D52H-N 122.95 8.029 C53H-N 119.05 8.418 I54H-N 119.918 8.765 S55H-N 114.65 7.573 E56H-N 119.792 7.709 A57H-N 120.881 8.11 F58H-N 109.815 7.38 G59H-N 108.62 7.688 F60H-N 115.72 7.88 E61H-N 118.247 8.329 R62H-N 124.846 9.337 R62HE-NE 83.05 7.406 E63H-N 115.682 9.007 A64H-N 121.211 8.142 V65H-N 118.243 7.35 S66H-N 114.039 8.605 G67H-N 111.84 8.205 I68H-N 122.817 7.823 L69H-N 117.496 8.314 G70H-N 107.145 8.298 K71H-N 116.935 6.941 S72H-N 116.478 7.554 E73H-N 119.76 9.126 F74H-N 116.72 8.034 K75H-N 120.71 7.175 G76H-N 112.976 8.786 Q77H-N 117.748 7.986 Q77HE21-NE2 110.681 7.297 Q77HE22-NE2 110.681 6.727 H78H-N 118.115 8.537 L79H-N 124.0 9.07 A80H-N 117.06 8.57 D81H-N 115.356 6.983 I82H-N 120.364 7.645 L83H-N 116.622 7.857 N84H-N 115.777 7.955 N84HD21-ND2 112.65 7.044 N84HD22-ND2 112.65 7.65 S85H-N 114.452 7.805 A86H-N 123.671 7.774 S87H-N 112.978 7.871 R88H-N 122.058 7.954 R88HE-NE 85.39 7.203 V89H-N 122.52 8.046 E91H-N 121.137 8.406 S92H-N 121.78 7.87