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 2263
_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 . 2263 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 1 1 CYS HA H 1 3.91 . . 1 . . . . . . . . 2263 1
2 . 1 1 1 1 CYS HB2 H 1 3.16 . . 2 . . . . . . . . 2263 1
3 . 1 1 1 1 CYS HB3 H 1 3.03 . . 2 . . . . . . . . 2263 1
4 . 1 1 3 3 CYS H H 1 8.18 . . 1 . . . . . . . . 2263 1
5 . 1 1 3 3 CYS HA H 1 4.95 . . 1 . . . . . . . . 2263 1
6 . 1 1 6 6 LEU H H 1 8.525 . . 1 . . . . . . . . 2263 1
7 . 1 1 7 7 MET H H 1 8.05 . . 1 . . . . . . . . 2263 1
8 . 1 1 8 8 ASP H H 1 7.405 . . 1 . . . . . . . . 2263 1
9 . 1 1 8 8 ASP HB2 H 1 2.63 . . 2 . . . . . . . . 2263 1
10 . 1 1 8 8 ASP HB3 H 1 3.09 . . 2 . . . . . . . . 2263 1
11 . 1 1 9 9 LYS H H 1 8.18 . . 1 . . . . . . . . 2263 1
12 . 1 1 10 10 GLU H H 1 8.44 . . 1 . . . . . . . . 2263 1
13 . 1 1 11 11 CYS H H 1 7.72 . . 1 . . . . . . . . 2263 1
14 . 1 1 11 11 CYS HA H 1 4.32 . . 1 . . . . . . . . 2263 1
15 . 1 1 12 12 VAL H H 1 8.13 . . 1 . . . . . . . . 2263 1
16 . 1 1 12 12 VAL HA H 1 3.62 . . 1 . . . . . . . . 2263 1
17 . 1 1 13 13 TYR H H 1 7.83 . . 1 . . . . . . . . 2263 1
18 . 1 1 14 14 PHE H H 1 8.01 . . 1 . . . . . . . . 2263 1
19 . 1 1 14 14 PHE HB2 H 1 3.24 . . 2 . . . . . . . . 2263 1
20 . 1 1 14 14 PHE HB3 H 1 3.15 . . 2 . . . . . . . . 2263 1
21 . 1 1 15 15 CYS H H 1 8.35 . . 1 . . . . . . . . 2263 1
22 . 1 1 15 15 CYS HB2 H 1 3.18 . . 2 . . . . . . . . 2263 1
23 . 1 1 15 15 CYS HB3 H 1 2.99 . . 2 . . . . . . . . 2263 1
24 . 1 1 16 16 HIS H H 1 7.96 . . 1 . . . . . . . . 2263 1
25 . 1 1 16 16 HIS HA H 1 4.525 . . 1 . . . . . . . . 2263 1
26 . 1 1 16 16 HIS HB2 H 1 3.18 . . 2 . . . . . . . . 2263 1
27 . 1 1 16 16 HIS HB3 H 1 3.21 . . 2 . . . . . . . . 2263 1
28 . 1 1 16 16 HIS HD2 H 1 7 . . 1 . . . . . . . . 2263 1
29 . 1 1 16 16 HIS HE1 H 1 7.95 . . 1 . . . . . . . . 2263 1
30 . 1 1 17 17 LEU H H 1 7.84 . . 1 . . . . . . . . 2263 1
31 . 1 1 18 18 ASP H H 1 8.27 . . 1 . . . . . . . . 2263 1
32 . 1 1 18 18 ASP HB2 H 1 2.56 . . 2 . . . . . . . . 2263 1
33 . 1 1 18 18 ASP HB3 H 1 2.635 . . 2 . . . . . . . . 2263 1
34 . 1 1 19 19 ILE H H 1 7.655 . . 1 . . . . . . . . 2263 1
35 . 1 1 20 20 ILE H H 1 7.75 . . 1 . . . . . . . . 2263 1
36 . 1 1 21 21 TRP H H 1 7.54 . . 1 . . . . . . . . 2263 1
37 . 1 1 21 21 TRP HA H 1 4.49 . . 1 . . . . . . . . 2263 1
38 . 1 1 21 21 TRP HB2 H 1 3.105 . . 2 . . . . . . . . 2263 1
39 . 1 1 21 21 TRP HB3 H 1 3.28 . . 2 . . . . . . . . 2263 1
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