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 653
_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 . 653 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 4 4 TYR HD1 H 1 7.37 . . 1 . . . . . . . . 653 1
2 . 1 1 4 4 TYR HD2 H 1 7.37 . . 1 . . . . . . . . 653 1
3 . 1 1 4 4 TYR HE1 H 1 6.57 . . 1 . . . . . . . . 653 1
4 . 1 1 4 4 TYR HE2 H 1 6.57 . . 1 . . . . . . . . 653 1
5 . 1 1 102 102 TYR HD1 H 1 7.02 . . 1 . . . . . . . . 653 1
6 . 1 1 102 102 TYR HD2 H 1 7.02 . . 1 . . . . . . . . 653 1
7 . 1 1 102 102 TYR HE1 H 1 6.76 . . 1 . . . . . . . . 653 1
8 . 1 1 102 102 TYR HE2 H 1 6.76 . . 1 . . . . . . . . 653 1
9 . 1 1 115 115 TYR HD1 H 1 7.49 . . 1 . . . . . . . . 653 1
10 . 1 1 115 115 TYR HD2 H 1 7.49 . . 1 . . . . . . . . 653 1
11 . 1 1 115 115 TYR HE1 H 1 6.76 . . 1 . . . . . . . . 653 1
12 . 1 1 115 115 TYR HE2 H 1 6.76 . . 1 . . . . . . . . 653 1
13 . 1 1 169 169 TYR HD1 H 1 6.68 . . 1 . . . . . . . . 653 1
14 . 1 1 169 169 TYR HD2 H 1 6.68 . . 1 . . . . . . . . 653 1
15 . 1 1 169 169 TYR HE1 H 1 6.76 . . 1 . . . . . . . . 653 1
16 . 1 1 169 169 TYR HE2 H 1 6.76 . . 1 . . . . . . . . 653 1
17 . 1 1 173 173 TYR HD1 H 1 6.35 . . 1 . . . . . . . . 653 1
18 . 1 1 173 173 TYR HD2 H 1 6.35 . . 1 . . . . . . . . 653 1
19 . 1 1 173 173 TYR HE1 H 1 6.48 . . 1 . . . . . . . . 653 1
20 . 1 1 173 173 TYR HE2 H 1 6.48 . . 1 . . . . . . . . 653 1
21 . 1 1 175 175 TYR HD1 H 1 6.96 . . 1 . . . . . . . . 653 1
22 . 1 1 175 175 TYR HD2 H 1 6.96 . . 1 . . . . . . . . 653 1
23 . 1 1 175 175 TYR HE1 H 1 6.65 . . 1 . . . . . . . . 653 1
24 . 1 1 175 175 TYR HE2 H 1 6.65 . . 1 . . . . . . . . 653 1
25 . 1 1 203 203 TYR HD1 H 1 6.85 . . 1 . . . . . . . . 653 1
26 . 1 1 203 203 TYR HD2 H 1 6.85 . . 1 . . . . . . . . 653 1
27 . 1 1 203 203 TYR HE1 H 1 6.76 . . 1 . . . . . . . . 653 1
28 . 1 1 203 203 TYR HE2 H 1 6.76 . . 1 . . . . . . . . 653 1
stop_
save_