PDBx/mmCIF
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Category Group
assigned_chemical_shifts
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assigned_chemical_shifts
Categories that capture assigned chemical shift values and links to the samples, sample conditions, NMR experiments, and other information about how the assigned chemical shifts were derived.
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ambiguous_atom_chem_shift
assigned_chem_shift_list
atom_chem_shift
chem_shift_experiment
chem_shift_software
systematic_chem_shift_offset
