Assignment w1 w2 C4H-N 113.793 7.859 Y5H-N 117.054 8.527 N6H-N 124.413 9.892 N6HD21-ND2 115.294 7.945 N6HD22-ND2 115.294 6.906 T8H-N 112.196 8.219 G9H-N 109.389 9.4 V10H-N 120.753 8.215 D11H-N 116.849 8.694 Y12H-N 121.775 7.418 R13H-N 128.837 8.63 T15H-N 105.603 8.152 V16H-N 123.8 7.152 S17H-N 121.64 8.9 V18H-N 118.649 7.204 T19H-N 114.606 8.84 K20H-N 122.26 9.335 S21H-N 110.411 8.026 G22H-N 110.967 8.032 R23H-N 119.285 7.142 R23HE-NE 116.68 8.472 Q24H-N 120.719 8.789 Q24HE21-NE2 112.156 7.574 Q24HE22-NE2 112.156 6.823 C25H-N 120.14 7.941 Q26H-N 125.284 9.211 Q26HE21-NE2 108.699 7.375 Q26HE22-NE2 108.699 6.017 W28H-N 124.057 7.572 W28HE1-NE1 131.276 11.376 N29H-N 113.474 8.478 N29HD21-ND2 110.12 7.653 N29HD22-ND2 110.12 6.809 S30H-N 115.32 8.026 Q31H-N 123.152 8.383 Q31HE21-NE2 112.82 7.259 Q31HE22-NE2 112.82 5.596 Y32H-N 119.46 7.719 H34H-N 122.395 8.378 T35H-N 115.492 8.058 H36H-N 119.728 9.075 T37H-N 109.082 8.541 F38H-N 130.544 11.754 T39H-N 110.19 7.393 A40H-N 124.055 8.818 L41H-N 115.923 7.459 R42H-N 115.913 7.026 F43H-N 117.597 7.954 E45H-N 121.566 11.188 L46H-N 121.308 8.804 N47H-N 118.654 7.785 N47HD21-ND2 113.44 7.78 N47HD22-ND2 113.44 7.15 G49H-N 109.058 8.35 H50H-N 115.211 6.571 S51H-N 116.758 7.991 Y52H-N 119.707 10.311 C53H-N 119.016 8.807 R54H-N 124.561 8.887 R54HE-NE 113.011 7.112 N55H-N 115.764 9.055 N55HD21-ND2 111.757 7.274 N55HD22-ND2 111.757 7.144 G57H-N 111.647 9.264 N58H-N 118.195 8.613 N58HD21-ND2 108.375 7.409 N58HD22-ND2 108.375 6.635 Q59H-N 115.705 6.966 Q59HE21-NE2 112.095 7.494 Q59HE22-NE2 112.095 6.979 K60H-N 116.423 8.346 E61H-N 119.13 9.407 A62H-N 121.412 7.549 W64H-N 122.653 9.356 W64HE1-NE1 129.266 9.85 C65H-N 108.657 8.124 T67H-N 110.979 7.951 L68H-N 113.978 8.223 D69H-N 121.311 8.65 E70H-N 129.173 9.545 N71H-N 115.495 8.834 N71HD21-ND2 115.16 7.88 N71HD22-ND2 115.16 7.083 F72H-N 125.753 7.991 K73H-N 127.217 8.46 S74H-N 104.678 7.449 D75H-N 115.965 8.345 L76H-N 120.152 7.804 C77H-N 117.745 8.662 D78H-N 123.332 8.797 I79H-N 124.191 7.262 A81H-N 124.244 8.334 C82H-N 122.413 8.925 D83H-N 121.141 8.586