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 339
_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 . 339 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 2 2 ASN H H 1 9.14 . . 1 . . . . . . . . 339 1
2 . 1 1 2 2 ASN N N 15 127.4 . . 1 . . . . . . . . 339 1
3 . 1 1 3 3 CYS H H 1 9.02 . . 1 . . . . . . . . 339 1
4 . 1 1 3 3 CYS N N 15 120.5 . . 1 . . . . . . . . 339 1
5 . 1 1 4 4 LYS H H 1 8.05 . . 1 . . . . . . . . 339 1
6 . 1 1 4 4 LYS N N 15 119.8 . . 1 . . . . . . . . 339 1
7 . 1 1 5 5 ALA H H 1 7.23 . . 1 . . . . . . . . 339 1
8 . 1 1 5 5 ALA N N 15 119.9 . . 1 . . . . . . . . 339 1
9 . 1 1 7 7 GLU H H 1 9.12 . . 1 . . . . . . . . 339 1
10 . 1 1 7 7 GLU N N 15 122.2 . . 1 . . . . . . . . 339 1
11 . 1 1 8 8 THR H H 1 7.38 . . 1 . . . . . . . . 339 1
12 . 1 1 8 8 THR N N 15 107.4 . . 1 . . . . . . . . 339 1
13 . 1 1 9 9 ALA H H 1 8.96 . . 1 . . . . . . . . 339 1
14 . 1 1 9 9 ALA N N 15 126.5 . . 1 . . . . . . . . 339 1
15 . 1 1 10 10 LEU H H 1 8.3 . . 1 . . . . . . . . 339 1
16 . 1 1 10 10 LEU N N 15 119.4 . . 1 . . . . . . . . 339 1
17 . 1 1 11 11 CYS H H 1 7.78 . . 1 . . . . . . . . 339 1
18 . 1 1 11 11 CYS N N 15 117.1 . . 1 . . . . . . . . 339 1
19 . 1 1 12 12 ALA H H 1 8.47 . . 1 . . . . . . . . 339 1
20 . 1 1 12 12 ALA N N 15 123.5 . . 1 . . . . . . . . 339 1
21 . 1 1 13 13 ARG H H 1 7.99 . . 1 . . . . . . . . 339 1
22 . 1 1 13 13 ARG N N 15 117.5 . . 1 . . . . . . . . 339 1
23 . 1 1 14 14 ARG H H 1 8.26 . . 1 . . . . . . . . 339 1
24 . 1 1 14 14 ARG N N 15 120.7 . . 1 . . . . . . . . 339 1
25 . 1 1 15 15 CYS H H 1 8.41 . . 1 . . . . . . . . 339 1
26 . 1 1 15 15 CYS N N 15 116.7 . . 1 . . . . . . . . 339 1
27 . 1 1 16 16 GLN H H 1 7.68 . . 1 . . . . . . . . 339 1
28 . 1 1 16 16 GLN N N 15 119.4 . . 1 . . . . . . . . 339 1
29 . 1 1 17 17 GLN H H 1 7.95 . . 1 . . . . . . . . 339 1
30 . 1 1 17 17 GLN N N 15 119.5 . . 1 . . . . . . . . 339 1
31 . 1 1 18 18 HIS H H 1 8.31 . . 1 . . . . . . . . 339 1
32 . 1 1 18 18 HIS N N 15 119.6 . . 1 . . . . . . . . 339 1
stop_
save_