Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"
save_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Entry_ID 331
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
. . 1 $sample_one . 331 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 23 23 HIS HA H 1 8.99 . . 1 . . . . . . . . 331 1
2 . 1 1 23 23 HIS HB2 H 1 9.11 . . 2 . . . . . . . . 331 1
3 . 1 1 23 23 HIS HB3 H 1 15 . . 2 . . . . . . . . 331 1
4 . 1 1 23 23 HIS HD2 H 1 26.3 . . 1 . . . . . . . . 331 1
5 . 1 1 23 23 HIS HE1 H 1 -26.6 . . 1 . . . . . . . . 331 1
6 . 1 1 35 35 PRO HD2 H 1 1.65 . . 2 . . . . . . . . 331 1
7 . 1 1 35 35 PRO HD3 H 1 5.31 . . 2 . . . . . . . . 331 1
8 . 1 1 85 85 MET HG2 H 1 -32.3 . . 1 . . . . . . . . 331 1
9 . 1 1 85 85 MET HG3 H 1 -32.3 . . 1 . . . . . . . . 331 1
10 . 1 1 85 85 MET HE1 H 1 -22.6 . . 1 . . . . . . . . 331 1
11 . 1 1 85 85 MET HE2 H 1 -22.6 . . 1 . . . . . . . . 331 1
12 . 1 1 85 85 MET HE3 H 1 -22.6 . . 1 . . . . . . . . 331 1
stop_
save_