atom_id atom_symbol chemical_shift multiplet coupling_constant 1 C 56.59 3 C 151.9 4 C 95.5 5 C 146.95 6 C 138.3 7 C 116.22 8 C 111.71 9 C 122.05 10 C 124.05 11 C 122.17 12 C 129.71 13 C 103.71 14 C 146.98 15 C 147.29 16 C 100.17 17 C 126.59 18 C 139.04 20 C 39.3 21 C 77.47 24 C 100.96 27 C 101.45