Assignment w1 w2 S2H-N 114.694 8.166 A3H-N 125.874 8.226 S4H-N 114.727 8.148 Y5H-N 121.804 8.1 D6H-N 122.074 8.26 S7H-N 115.933 8.121 E8H-N 122.644 8.47 E9H-N 122.161 8.341 E11H-N 121.122 8.287 E12H-N 122.443 8.444 G13H-N 109.144 8.38 L14H-N 123.426 8.183 M16H-N 122.425 8.608 S17H-N 120.009 9.191 Y18H-N 122.033 9.072 D19H-N 117.652 8.466 E20H-N 120.58 7.805 K21H-N 121.33 8.206 R22H-N 119.807 8.473 Q23H-N 119.985 8.138 L24H-N 119.821 7.914 S25H-N 113.425 7.953 L26H-N 122.515 7.578 D27H-N 121.198 8.579 I28H-N 120.114 8.564 N29H-N 115.469 7.447 R30H-N 116.964 7.535 L31H-N 121.963 7.47 G33H-N 110.291 8.882 E34H-N 120.667 7.667 K35H-N 116.625 7.932 L36H-N 121.124 7.805 G37H-N 107.407 8.347 R38H-N 119.476 9.444 V39H-N 118.882 7.288 V40H-N 116.996 7.34 H41H-N 118.884 7.749 I42H-N 121.653 8.473 I43H-N 117.177 7.56 Q44H-N 116.089 8.747 Q44HE21-NE2 111.096 7.223 Q44HE22-NE2 111.096 6.573 S45H-N 111.84 8.019 R46H-N 118.504 7.331 E47H-N 118.227 7.773 S49H-N 112.121 8.307 L50H-N 122.223 7.919 R51H-N 121.701 7.663 D52H-N 118.317 8.254 S53H-N 115.582 7.643 N54H-N 122.698 8.608 N54HD21-ND2 113.299 7.7 N54HD22-ND2 113.299 7.076 D56H-N 115.892 8.119 E57H-N 118.542 7.603 I58H-N 125.339 8.889 E59H-N 127.103 8.431 I60H-N 125.536 8.834 D61H-N 126.257 8.799 T64H-N 106.625 7.518 L65H-N 121.031 6.733 K66H-N 123.877 10.031 T68H-N 105.764 7.751 T69H-N 121.253 7.291 L70H-N 120.32 7.691 R71H-N 115.848 8.067 E72H-N 122.807 7.917 L73H-N 120.037 8.386 E74H-N 120.344 8.522 R75H-N 118.678 8.036 Y76H-N 120.774 8.125 V77H-N 121.502 9.078 K78H-N 118.781 8.2 S79H-N 114.053 7.613 C80H-N 118.618 7.481 L81H-N 119.119 7.599 Q82H-N 119.333 7.803 Q82HE21-NE2 111.511 7.528 Q82HE22-NE2 111.511 6.807 K83H-N 122.107 8.163 K84H-N 122.448 8.258 K87H-N 122.646 8.042