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 613
_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 . 613 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 LEU HG H 1 1.63 . . 1 . . . . . . . . 613 1
2 . 1 1 1 1 LEU HD11 H 1 .925 . . 2 . . . . . . . . 613 1
3 . 1 1 1 1 LEU HD12 H 1 .925 . . 2 . . . . . . . . 613 1
4 . 1 1 1 1 LEU HD13 H 1 .925 . . 2 . . . . . . . . 613 1
5 . 1 1 1 1 LEU HD21 H 1 .772 . . 2 . . . . . . . . 613 1
6 . 1 1 1 1 LEU HD22 H 1 .772 . . 2 . . . . . . . . 613 1
7 . 1 1 1 1 LEU HD23 H 1 .772 . . 2 . . . . . . . . 613 1
8 . 1 1 4 4 HIS HD2 H 1 6.925 . . 1 . . . . . . . . 613 1
9 . 1 1 4 4 HIS HE1 H 1 9.026 . . 1 . . . . . . . . 613 1
10 . 1 1 9 9 ALA HA H 1 4.91 . . 1 . . . . . . . . 613 1
11 . 1 1 9 9 ALA HB1 H 1 1.65 . . 1 . . . . . . . . 613 1
12 . 1 1 9 9 ALA HB2 H 1 1.65 . . 1 . . . . . . . . 613 1
13 . 1 1 9 9 ALA HB3 H 1 1.65 . . 1 . . . . . . . . 613 1
14 . 1 1 20 20 TRP HD1 H 1 7.517 . . 1 . . . . . . . . 613 1
15 . 1 1 20 20 TRP HE1 H 1 10.49 . . 1 . . . . . . . . 613 1
16 . 1 1 29 29 TRP HD1 H 1 7.379 . . 1 . . . . . . . . 613 1
17 . 1 1 29 29 TRP HE1 H 1 10.367 . . 1 . . . . . . . . 613 1
18 . 1 1 32 32 HIS HD2 H 1 7.591 . . 1 . . . . . . . . 613 1
19 . 1 1 32 32 HIS HE1 H 1 8.927 . . 1 . . . . . . . . 613 1
20 . 1 1 36 36 ARG HB2 H 1 .675 . . 1 . . . . . . . . 613 1
21 . 1 1 36 36 ARG HB3 H 1 .675 . . 1 . . . . . . . . 613 1
22 . 1 1 46 46 VAL HB H 1 2.347 . . 1 . . . . . . . . 613 1
23 . 1 1 46 46 VAL HG11 H 1 1.083 . . 2 . . . . . . . . 613 1
24 . 1 1 46 46 VAL HG12 H 1 1.083 . . 2 . . . . . . . . 613 1
25 . 1 1 46 46 VAL HG13 H 1 1.083 . . 2 . . . . . . . . 613 1
26 . 1 1 46 46 VAL HG21 H 1 1.005 . . 2 . . . . . . . . 613 1
27 . 1 1 46 46 VAL HG22 H 1 1.005 . . 2 . . . . . . . . 613 1
28 . 1 1 46 46 VAL HG23 H 1 1.005 . . 2 . . . . . . . . 613 1
29 . 1 1 50 50 ILE HB H 1 2.28 . . 1 . . . . . . . . 613 1
30 . 1 1 50 50 ILE HG12 H 1 1.647 . . 2 . . . . . . . . 613 1
31 . 1 1 50 50 ILE HG13 H 1 1.313 . . 2 . . . . . . . . 613 1
32 . 1 1 50 50 ILE HG21 H 1 1.13 . . 1 . . . . . . . . 613 1
33 . 1 1 50 50 ILE HG22 H 1 1.13 . . 1 . . . . . . . . 613 1
34 . 1 1 50 50 ILE HG23 H 1 1.13 . . 1 . . . . . . . . 613 1
35 . 1 1 50 50 ILE HD11 H 1 .836 . . 1 . . . . . . . . 613 1
36 . 1 1 50 50 ILE HD12 H 1 .836 . . 1 . . . . . . . . 613 1
37 . 1 1 50 50 ILE HD13 H 1 .836 . . 1 . . . . . . . . 613 1
38 . 1 1 52 52 LEU HG H 1 1.73 . . 1 . . . . . . . . 613 1
39 . 1 1 52 52 LEU HD11 H 1 1.15 . . 2 . . . . . . . . 613 1
40 . 1 1 52 52 LEU HD12 H 1 1.15 . . 2 . . . . . . . . 613 1
41 . 1 1 52 52 LEU HD13 H 1 1.15 . . 2 . . . . . . . . 613 1
42 . 1 1 52 52 LEU HD21 H 1 1.13 . . 2 . . . . . . . . 613 1
43 . 1 1 52 52 LEU HD22 H 1 1.13 . . 2 . . . . . . . . 613 1
44 . 1 1 52 52 LEU HD23 H 1 1.13 . . 2 . . . . . . . . 613 1
45 . 1 1 53 53 HIS HD2 H 1 7.46 . . 1 . . . . . . . . 613 1
46 . 1 1 53 53 HIS HE1 H 1 8.972 . . 1 . . . . . . . . 613 1
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save_