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 2331
_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 . 2331 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 20 20 CYS H H 1 9.09 . . 1 . . . . . . . . 2331 1
2 . 1 1 20 20 CYS HA H 1 5.98 . . 1 . . . . . . . . 2331 1
3 . 1 1 21 21 TYR H H 1 9.09 . . 1 . . . . . . . . 2331 1
4 . 1 1 21 21 TYR HA H 1 6.45 . . 1 . . . . . . . . 2331 1
5 . 1 1 21 21 TYR HB2 H 1 3.04 . . 2 . . . . . . . . 2331 1
6 . 1 1 21 21 TYR HB3 H 1 2.77 . . 2 . . . . . . . . 2331 1
7 . 1 1 22 22 VAL H H 1 8.91 . . 1 . . . . . . . . 2331 1
8 . 1 1 22 22 VAL HA H 1 5.12 . . 1 . . . . . . . . 2331 1
9 . 1 1 22 22 VAL HB H 1 1.57 . . 1 . . . . . . . . 2331 1
10 . 1 1 23 23 LYS H H 1 9.84 . . 1 . . . . . . . . 2331 1
11 . 1 1 23 23 LYS HA H 1 5.52 . . 1 . . . . . . . . 2331 1
12 . 1 1 24 24 SER H H 1 9.25 . . 1 . . . . . . . . 2331 1
13 . 1 1 24 24 SER HA H 1 5.71 . . 1 . . . . . . . . 2331 1
14 . 1 1 25 25 TRP H H 1 9.6 . . 1 . . . . . . . . 2331 1
15 . 1 1 25 25 TRP HA H 1 4.55 . . 1 . . . . . . . . 2331 1
16 . 1 1 36 36 VAL HA H 1 3.56 . . 1 . . . . . . . . 2331 1
17 . 1 1 36 36 VAL HB H 1 .3 . . 1 . . . . . . . . 2331 1
18 . 1 1 37 37 LEU HA H 1 5.05 . . 1 . . . . . . . . 2331 1
19 . 1 1 38 38 GLU H H 1 8.56 . . 1 . . . . . . . . 2331 1
20 . 1 1 39 39 PHE HA H 1 5.05 . . 1 . . . . . . . . 2331 1
21 . 1 1 40 40 GLY H H 1 9.44 . . 1 . . . . . . . . 2331 1
22 . 1 1 40 40 GLY HA2 H 1 3.03 . . 2 . . . . . . . . 2331 1
23 . 1 1 40 40 GLY HA3 H 1 3.4 . . 2 . . . . . . . . 2331 1
24 . 1 1 41 41 CYS H H 1 8.29 . . 1 . . . . . . . . 2331 1
25 . 1 1 41 41 CYS HA H 1 5.71 . . 1 . . . . . . . . 2331 1
26 . 1 1 54 54 ILE HA H 1 5.29 . . 1 . . . . . . . . 2331 1
27 . 1 1 54 54 ILE HB H 1 1.92 . . 1 . . . . . . . . 2331 1
28 . 1 1 55 55 LYS H H 1 8.36 . . 1 . . . . . . . . 2331 1
29 . 1 1 55 55 LYS HA H 1 5.01 . . 1 . . . . . . . . 2331 1
30 . 1 1 56 56 CYS HA H 1 5.43 . . 1 . . . . . . . . 2331 1
31 . 1 1 57 57 CYS H H 1 9.49 . . 1 . . . . . . . . 2331 1
32 . 1 1 57 57 CYS HA H 1 5.01 . . 1 . . . . . . . . 2331 1
33 . 1 1 63 63 ASN HD21 H 1 7.64 . . 1 . . . . . . . . 2331 1
34 . 1 1 63 63 ASN HD22 H 1 7.64 . . 1 . . . . . . . . 2331 1
stop_
save_