Assignment w1 w2 D3H-N 122.077 8.539 T4H-N 114.128 8.043 Y5H-N 123.099 8.256 I6H-N 123.298 7.894 D7H-N 124.135 8.259 S8H-N 115.932 8.075 L9H-N 123.348 8.127 D10H-N 122.337 8.109 E12H-N 119.636 8.28 K13H-N 123.238 8.021 L14H-N 122.667 8.205 L15H-N 124.65 8.997 Q16H-N 120.896 8.326 Q16HE21-NE2 117.919 6.437 Q16HE22-NE2 117.919 8.016 C17H-N 132.384 8.373 Y19H-N 120.496 8.804 D20H-N 119.845 7.192 K21H-N 126.364 8.535 N22H-N 116.078 8.974 N22HD21-ND2 115.849 6.973 N22HD22-ND2 115.849 8.052 H23H-N 119.47 7.764 Q24H-N 125.31 8.11 Q24HE21-NE2 112.174 7.576 Q24HE22-NE2 112.174 6.65 I25H-N 124.948 8.923 R26H-N 128.064 8.815 A27H-N 125.788 8.781 S28H-N 111.284 8.898 R29H-N 119.484 7.765 R29HE-NE 85.596 7.197 F30H-N 123.555 7.984 Y32H-N 115.244 7.071 H33H-N 119.157 8.258 L34H-N 116.68 8.172 I35H-N 115.92 6.85 K36H-N 117.791 6.825 C37H-N 122.352 8.773 R38H-N 119.403 8.3 K39H-N 117.575 6.753 N40H-N 113.794 7.284 N40HD21-ND2 112.372 7.613 N40HD22-ND2 112.372 6.83 H41H-N 117.438 7.345 D43H-N 117.161 8.609 V44H-N 118.396 7.656 A45H-N 123.23 8.403 N46H-N 113.304 7.794 N46HD21-ND2 111.944 7.528 N46HD22-ND2 111.944 6.851 K47H-N 120.321 7.507 L48H-N 124.083 8.382 A49H-N 124.617 9.289 T50H-N 116.153 8.389 C51H-N 131.392 8.221 F53H-N 121.632 8.844 N54H-N 119.255 7.553 A55H-N 127.491 8.72 R56H-N 114.336 8.161 R56HE-NE 85.788 7.208 H57H-N 119.897 8.078 Q58H-N 124.73 7.974 V59H-N 119.77 8.546 R61H-N 126.488 9.087 A62H-N 119.46 8.937 E63H-N 113.653 8.063 I64H-N 121.986 7.516 S65H-N 118.855 8.531 H66H-N 122.274 8.033 H67H-N 120.195 8.859 I68H-N 117.943 8.832 S69H-N 112.184 7.389 S70H-N 113.305 7.304 C71H-N 126.795 7.474 D72H-N 129.835 8.73 D73H-N 120.492 8.759 K74H-N 120.047 7.203 S75H-N 115.717 7.401 S76H-N 117.539 8.176 I77H-N 121.54 7.971 E78H-N 124.146 8.376 Q79H-N 120.773 8.316 D80H-N 121.209 8.383