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 5021
_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_ref_1
_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 'carbon chemical shifts are obtained by natural abundance'
_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 . 5021 1
2 DQF-COSY 1 $sample_1 . 5021 1
3 E-COSY 1 $sample_1 . 5021 1
4 C13-HSQC 1 $sample_1 . 5021 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 5.27 0.003 . 1 . . . . . . . . 5021 1
2 . 1 1 2 2 CYS CA C 13 52.16 0.01 . 1 . . . . . . . . 5021 1
3 . 1 1 2 2 CYS CB C 13 45.77 0.01 . 1 . . . . . . . . 5021 1
4 . 1 1 3 3 TYR HA H 1 4.85 0.003 . 1 . . . . . . . . 5021 1
5 . 1 1 3 3 TYR CA C 13 52.98 0.01 . 1 . . . . . . . . 5021 1
6 . 1 1 3 3 TYR CB C 13 38.08 0.01 . 1 . . . . . . . . 5021 1
7 . 1 1 4 4 CYS HA H 1 5.48 0.003 . 1 . . . . . . . . 5021 1
8 . 1 1 4 4 CYS CA C 13 52.02 0.01 . 1 . . . . . . . . 5021 1
9 . 1 1 4 4 CYS CB C 13 45.19 0.01 . 1 . . . . . . . . 5021 1
10 . 1 1 5 5 SER HA H 1 4.78 0.003 . 1 . . . . . . . . 5021 1
11 . 1 1 5 5 SER CA C 13 53.12 0.01 . 1 . . . . . . . . 5021 1
12 . 1 1 5 5 SER CB C 13 62.28 0.01 . 1 . . . . . . . . 5021 1
13 . 1 1 6 6 LEU HA H 1 3.95 0.003 . 1 . . . . . . . . 5021 1
14 . 1 1 6 6 LEU CA C 13 53.58 0.01 . 1 . . . . . . . . 5021 1
15 . 1 1 6 6 LEU CB C 13 38.91 0.01 . 1 . . . . . . . . 5021 1
16 . 1 1 7 7 ARG HA H 1 4.03 0.003 . 1 . . . . . . . . 5021 1
17 . 1 1 7 7 ARG CB C 13 28.09 0.01 . 1 . . . . . . . . 5021 1
18 . 1 1 8 8 GLY HA2 H 1 4.18 0.003 . 2 . . . . . . . . 5021 1
19 . 1 1 8 8 GLY HA3 H 1 3.23 0.003 . 2 . . . . . . . . 5021 1
20 . 1 1 8 8 GLY CA C 13 41.63 0.01 . 1 . . . . . . . . 5021 1
21 . 1 1 9 9 ASP HA H 1 4.63 0.003 . 1 . . . . . . . . 5021 1
22 . 1 1 9 9 ASP CA C 13 48.61 0.01 . 1 . . . . . . . . 5021 1
23 . 1 1 9 9 ASP CB C 13 37.80 0.01 . 1 . . . . . . . . 5021 1
24 . 1 1 10 10 CYS HA H 1 5.34 0.003 . 1 . . . . . . . . 5021 1
25 . 1 1 10 10 CYS CA C 13 52.30 0.01 . 1 . . . . . . . . 5021 1
26 . 1 1 10 10 CYS CB C 13 46.28 0.01 . 1 . . . . . . . . 5021 1
27 . 1 1 11 11 TYR HA H 1 4.70 0.003 . 1 . . . . . . . . 5021 1
28 . 1 1 11 11 TYR CA C 13 53.39 0.01 . 1 . . . . . . . . 5021 1
29 . 1 1 11 11 TYR CB C 13 38.35 0.01 . 1 . . . . . . . . 5021 1
30 . 1 1 12 12 CYS HA H 1 5.11 0.003 . 1 . . . . . . . . 5021 1
31 . 1 1 12 12 CYS CA C 13 51.61 0.01 . 1 . . . . . . . . 5021 1
32 . 1 1 12 12 CYS CB C 13 44.04 0.01 . 1 . . . . . . . . 5021 1
stop_
save_