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 508
_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 . 508 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 CA C 13 53 . . 1 . . . . . . . . 508 1
2 . 1 1 1 1 LEU CD1 C 13 23 . . 2 . . . . . . . . 508 1
3 . 1 1 1 1 LEU CD2 C 13 22.4 . . 2 . . . . . . . . 508 1
4 . 1 1 2 2 ALA CA C 13 50.8 . . 1 . . . . . . . . 508 1
5 . 1 1 2 2 ALA CB C 13 17.8 . . 1 . . . . . . . . 508 1
6 . 1 1 3 3 ALA CA C 13 50.9 . . 1 . . . . . . . . 508 1
7 . 1 1 3 3 ALA CB C 13 17.8 . . 1 . . . . . . . . 508 1
8 . 1 1 4 4 VAL CA C 13 60.4 . . 1 . . . . . . . . 508 1
9 . 1 1 4 4 VAL CG1 C 13 20.1 . . 2 . . . . . . . . 508 1
10 . 1 1 4 4 VAL CG2 C 13 18.8 . . 2 . . . . . . . . 508 1
11 . 1 1 5 5 SER CA C 13 56.2 . . 1 . . . . . . . . 508 1
12 . 1 1 5 5 SER CB C 13 63 . . 1 . . . . . . . . 508 1
13 . 1 1 6 6 VAL CA C 13 60 . . 1 . . . . . . . . 508 1
14 . 1 1 6 6 VAL CG1 C 13 20.3 . . 2 . . . . . . . . 508 1
15 . 1 1 6 6 VAL CG2 C 13 20.6 . . 2 . . . . . . . . 508 1
16 . 1 1 7 7 ASP CA C 13 51.7 . . 1 . . . . . . . . 508 1
17 . 1 1 8 8 CYS CA C 13 50.6 . . 1 . . . . . . . . 508 1
18 . 1 1 9 9 SER CA C 13 59.6 . . 1 . . . . . . . . 508 1
19 . 1 1 9 9 SER CB C 13 61.6 . . 1 . . . . . . . . 508 1
20 . 1 1 10 10 GLU CA C 13 54.7 . . 1 . . . . . . . . 508 1
21 . 1 1 10 10 GLU CG C 13 32.6 . . 1 . . . . . . . . 508 1
22 . 1 1 11 11 TYR CA C 13 56.1 . . 1 . . . . . . . . 508 1
23 . 1 1 12 12 PRO CA C 13 61 . . 1 . . . . . . . . 508 1
24 . 1 1 12 12 PRO CD C 13 49.8 . . 1 . . . . . . . . 508 1
25 . 1 1 13 13 LYS CA C 13 51.6 . . 1 . . . . . . . . 508 1
26 . 1 1 13 13 LYS CE C 13 40.3 . . 1 . . . . . . . . 508 1
27 . 1 1 14 14 PRO CA C 13 62.8 . . 1 . . . . . . . . 508 1
28 . 1 1 14 14 PRO CD C 13 49.2 . . 1 . . . . . . . . 508 1
29 . 1 1 15 15 ALA CA C 13 50.3 . . 1 . . . . . . . . 508 1
30 . 1 1 15 15 ALA CB C 13 19 . . 1 . . . . . . . . 508 1
31 . 1 1 16 16 CYS CA C 13 52.1 . . 1 . . . . . . . . 508 1
32 . 1 1 17 17 THR CA C 13 60.3 . . 1 . . . . . . . . 508 1
33 . 1 1 17 17 THR CB C 13 68.4 . . 1 . . . . . . . . 508 1
34 . 1 1 17 17 THR CG2 C 13 19.9 . . 1 . . . . . . . . 508 1
35 . 1 1 18 18 LEU CA C 13 54.8 . . 1 . . . . . . . . 508 1
36 . 1 1 18 18 LEU CD1 C 13 22.3 . . 2 . . . . . . . . 508 1
37 . 1 1 18 18 LEU CD2 C 13 23.7 . . 2 . . . . . . . . 508 1
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save_