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 21
_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 . 21 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 3 3 TYR HD1 H 1 6.98 . . 1 . . . . . . . . 21 1
2 . 1 1 3 3 TYR HD2 H 1 6.98 . . 1 . . . . . . . . 21 1
3 . 1 1 3 3 TYR HE1 H 1 6.65 . . 1 . . . . . . . . 21 1
4 . 1 1 3 3 TYR HE2 H 1 6.65 . . 1 . . . . . . . . 21 1
5 . 1 1 10 10 TYR HD1 H 1 6.27 . . 3 . . . . . . . . 21 1
6 . 1 1 10 10 TYR HD2 H 1 6.9 . . 3 . . . . . . . . 21 1
7 . 1 1 10 10 TYR HE1 H 1 6.61 . . 3 . . . . . . . . 21 1
8 . 1 1 10 10 TYR HE2 H 1 5.81 . . 3 . . . . . . . . 21 1
9 . 1 1 13 13 TYR HD1 H 1 6.9 . . 3 . . . . . . . . 21 1
10 . 1 1 13 13 TYR HD2 H 1 6.27 . . 3 . . . . . . . . 21 1
11 . 1 1 13 13 TYR HE1 H 1 6.61 . . 3 . . . . . . . . 21 1
12 . 1 1 13 13 TYR HE2 H 1 5.81 . . 3 . . . . . . . . 21 1
13 . 1 1 15 15 LEU H H 1 8.14 . . 1 . . . . . . . . 21 1
14 . 1 1 18 18 GLY H H 1 7.3 . . 1 . . . . . . . . 21 1
15 . 1 1 19 19 VAL H H 1 7.94 . . 1 . . . . . . . . 21 1
16 . 1 1 21 21 MET H H 1 9.4 . . 1 . . . . . . . . 21 1
17 . 1 1 22 22 HIS HD2 H 1 6.41 . . 1 . . . . . . . . 21 1
18 . 1 1 22 22 HIS HE1 H 1 8.41 . . 1 . . . . . . . . 21 1
19 . 1 1 29 29 TYR HD1 H 1 6.63 . . 1 . . . . . . . . 21 1
20 . 1 1 29 29 TYR HD2 H 1 6.63 . . 1 . . . . . . . . 21 1
21 . 1 1 29 29 TYR HE1 H 1 6.09 . . 1 . . . . . . . . 21 1
22 . 1 1 29 29 TYR HE2 H 1 6.09 . . 1 . . . . . . . . 21 1
23 . 1 1 30 30 THR H H 1 8.83 . . 1 . . . . . . . . 21 1
24 . 1 1 32 32 ASN H H 1 9.24 . . 1 . . . . . . . . 21 1
25 . 1 1 34 34 VAL H H 1 8.2 . . 1 . . . . . . . . 21 1
26 . 1 1 35 35 ILE H H 1 7.76 . . 1 . . . . . . . . 21 1
27 . 1 1 37 37 TYR H H 1 8.03 . . 1 . . . . . . . . 21 1
28 . 1 1 37 37 TYR HD1 H 1 6.71 . . 1 . . . . . . . . 21 1
29 . 1 1 37 37 TYR HD2 H 1 6.71 . . 1 . . . . . . . . 21 1
30 . 1 1 37 37 TYR HE1 H 1 6.48 . . 1 . . . . . . . . 21 1
31 . 1 1 37 37 TYR HE2 H 1 6.48 . . 1 . . . . . . . . 21 1
32 . 1 1 38 38 SER H H 1 9.17 . . 1 . . . . . . . . 21 1
33 . 1 1 42 42 CYS H H 1 7.61 . . 1 . . . . . . . . 21 1
34 . 1 1 43 43 GLN H H 1 9.82 . . 1 . . . . . . . . 21 1
35 . 1 1 44 44 THR H H 1 8.67 . . 1 . . . . . . . . 21 1
stop_
save_