Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5020
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 NOESY 1 $sample_1 . 5020 1
2 DQF-COSY 1 $sample_1 . 5020 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 CYS HA H 1 4.66 0.012 . 1 . . . . . . . . 5020 1
2 . 1 1 2 2 CYS CA C 13 54.45 0.003 . 1 . . . . . . . . 5020 1
3 . 1 1 2 2 CYS CB C 13 39.59 0.003 . 1 . . . . . . . . 5020 1
4 . 1 1 3 3 ARG CA C 13 52.11 0.003 . 1 . . . . . . . . 5020 1
5 . 1 1 3 3 ARG CB C 13 24.31 0.003 . 1 . . . . . . . . 5020 1
6 . 1 1 3 3 ARG HA H 1 4.37 0.012 . 1 . . . . . . . . 5020 1
7 . 1 1 4 4 TRP CA C 13 52.99 0.003 . 5 . . . . . . . . 5020 1
8 . 1 1 4 4 TRP CB C 13 26.57 0.003 . 5 . . . . . . . . 5020 1
9 . 1 1 4 4 TRP HA H 1 4.56 0.012 . 5 . . . . . . . . 5020 1
10 . 1 1 5 5 LEU CA C 13 53.27 0.003 . 1 . . . . . . . . 5020 1
11 . 1 1 5 5 LEU CB C 13 41.23 0.003 . 1 . . . . . . . . 5020 1
12 . 1 1 5 5 LEU HA H 1 4.30 0.012 . 1 . . . . . . . . 5020 1
13 . 1 1 6 6 ARG CA C 13 54.01 0.003 . 1 . . . . . . . . 5020 1
14 . 1 1 6 6 ARG CB C 13 24.75 0.003 . 1 . . . . . . . . 5020 1
15 . 1 1 6 6 ARG HA H 1 4.08 0.012 . 1 . . . . . . . . 5020 1
16 . 1 1 7 7 GLY CA C 13 42.87 0.003 . 1 . . . . . . . . 5020 1
17 . 1 1 7 7 GLY HA2 H 1 3.90 0.012 . 2 . . . . . . . . 5020 1
18 . 1 1 7 7 GLY HA3 H 1 3.66 0.012 . 2 . . . . . . . . 5020 1
19 . 1 1 8 8 ASP CA C 13 53.68 0.003 . 1 . . . . . . . . 5020 1
20 . 1 1 8 8 ASP CB C 13 37.13 0.003 . 1 . . . . . . . . 5020 1
21 . 1 1 8 8 ASP HA H 1 4.63 0.012 . 1 . . . . . . . . 5020 1
22 . 1 1 9 9 TRP CA C 13 49.86 0.003 . 5 . . . . . . . . 5020 1
23 . 1 1 9 9 TRP CB C 13 26.57 0.003 . 5 . . . . . . . . 5020 1
24 . 1 1 9 9 TRP HA H 1 4.60 0.012 . 5 . . . . . . . . 5020 1
25 . 1 1 10 10 ARG HA H 1 4.13 0.003 . 1 . . . . . . . . 5020 1
26 . 1 1 11 11 GLN HA H 1 4.26 0.003 . 1 . . . . . . . . 5020 1
27 . 1 1 11 11 GLN CA C 13 53.29 0.012 . 1 . . . . . . . . 5020 1
28 . 1 1 11 11 GLN CB C 13 31.42 0.012 . 1 . . . . . . . . 5020 1
29 . 1 1 12 12 CYS HA H 1 4.59 0.003 . 1 . . . . . . . . 5020 1
30 . 1 1 12 12 CYS CA C 13 53.02 0.012 . 1 . . . . . . . . 5020 1
31 . 1 1 12 12 CYS CB C 13 40.70 0.012 . 1 . . . . . . . . 5020 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 7 5020 1
1 22 5020 1
2 8 5020 1
2 23 5020 1
3 9 5020 1
3 24 5020 1
stop_
save_