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 2275
_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 . 2275 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 3 3 CYS H H 1 8.66 . . 1 . . . . . . . . 2275 1
2 . 1 1 3 3 CYS HA H 1 5.04 . . 1 . . . . . . . . 2275 1
3 . 1 1 3 3 CYS HB2 H 1 2.97 . . 2 . . . . . . . . 2275 1
4 . 1 1 3 3 CYS HB3 H 1 2.35 . . 2 . . . . . . . . 2275 1
5 . 1 1 4 4 HIS H H 1 9.76 . . 1 . . . . . . . . 2275 1
6 . 1 1 4 4 HIS HA H 1 5.51 . . 1 . . . . . . . . 2275 1
7 . 1 1 4 4 HIS HB2 H 1 2.87 . . 2 . . . . . . . . 2275 1
8 . 1 1 4 4 HIS HB3 H 1 3.86 . . 2 . . . . . . . . 2275 1
9 . 1 1 5 5 ASN H H 1 8.28 . . 1 . . . . . . . . 2275 1
10 . 1 1 5 5 ASN HA H 1 4.88 . . 1 . . . . . . . . 2275 1
11 . 1 1 14 14 THR H H 1 8.96 . . 1 . . . . . . . . 2275 1
12 . 1 1 14 14 THR HA H 1 4.96 . . 1 . . . . . . . . 2275 1
13 . 1 1 14 14 THR HB H 1 3.78 . . 1 . . . . . . . . 2275 1
14 . 1 1 15 15 THR H H 1 8.73 . . 1 . . . . . . . . 2275 1
15 . 1 1 15 15 THR HA H 1 4.66 . . 1 . . . . . . . . 2275 1
16 . 1 1 15 15 THR HB H 1 3.78 . . 1 . . . . . . . . 2275 1
17 . 1 1 24 24 CYS H H 1 9.17 . . 1 . . . . . . . . 2275 1
18 . 1 1 24 24 CYS HA H 1 5.69 . . 1 . . . . . . . . 2275 1
19 . 1 1 24 24 CYS HB2 H 1 2.82 . . 2 . . . . . . . . 2275 1
20 . 1 1 24 24 CYS HB3 H 1 3.29 . . 2 . . . . . . . . 2275 1
21 . 1 1 25 25 TYR H H 1 8.89 . . 1 . . . . . . . . 2275 1
22 . 1 1 25 25 TYR HA H 1 6.23 . . 1 . . . . . . . . 2275 1
23 . 1 1 25 25 TYR HB2 H 1 2.88 . . 2 . . . . . . . . 2275 1
24 . 1 1 25 25 TYR HB3 H 1 3.89 . . 2 . . . . . . . . 2275 1
25 . 1 1 26 26 LYS H H 1 8.88 . . 1 . . . . . . . . 2275 1
26 . 1 1 26 26 LYS HA H 1 5.14 . . 1 . . . . . . . . 2275 1
27 . 1 1 26 26 LYS HB2 H 1 1.95 . . 1 . . . . . . . . 2275 1
28 . 1 1 26 26 LYS HB3 H 1 1.95 . . 1 . . . . . . . . 2275 1
29 . 1 1 27 27 LYS H H 1 9.92 . . 1 . . . . . . . . 2275 1
30 . 1 1 27 27 LYS HA H 1 5.67 . . 1 . . . . . . . . 2275 1
31 . 1 1 27 27 LYS HB2 H 1 2.04 . . 2 . . . . . . . . 2275 1
32 . 1 1 27 27 LYS HB3 H 1 1.88 . . 2 . . . . . . . . 2275 1
33 . 1 1 28 28 ARG H H 1 9.38 . . 1 . . . . . . . . 2275 1
34 . 1 1 28 28 ARG HA H 1 5.94 . . 1 . . . . . . . . 2275 1
35 . 1 1 28 28 ARG HB2 H 1 1.7 . . 2 . . . . . . . . 2275 1
36 . 1 1 28 28 ARG HB3 H 1 1.88 . . 2 . . . . . . . . 2275 1
37 . 1 1 29 29 TRP H H 1 8.96 . . 1 . . . . . . . . 2275 1
38 . 1 1 29 29 TRP HA H 1 5.27 . . 1 . . . . . . . . 2275 1
39 . 1 1 29 29 TRP HB2 H 1 3.41 . . 2 . . . . . . . . 2275 1
40 . 1 1 29 29 TRP HB3 H 1 3.53 . . 2 . . . . . . . . 2275 1
41 . 1 1 38 38 GLU H H 1 9.59 . . 1 . . . . . . . . 2275 1
42 . 1 1 38 38 GLU HA H 1 4.98 . . 1 . . . . . . . . 2275 1
43 . 1 1 38 38 GLU HB2 H 1 2.3 . . 2 . . . . . . . . 2275 1
44 . 1 1 38 38 GLU HB3 H 1 2.43 . . 2 . . . . . . . . 2275 1
45 . 1 1 39 39 ARG H H 1 8.78 . . 1 . . . . . . . . 2275 1
46 . 1 1 51 51 ILE H H 1 8.76 . . 1 . . . . . . . . 2275 1
47 . 1 1 51 51 ILE HA H 1 5.37 . . 1 . . . . . . . . 2275 1
48 . 1 1 51 51 ILE HB H 1 1.66 . . 1 . . . . . . . . 2275 1
49 . 1 1 53 53 ASN H H 1 8.66 . . 1 . . . . . . . . 2275 1
50 . 1 1 53 53 ASN HA H 1 5.14 . . 1 . . . . . . . . 2275 1
51 . 1 1 53 53 ASN HB2 H 1 2.64 . . 2 . . . . . . . . 2275 1
52 . 1 1 53 53 ASN HB3 H 1 2.8 . . 2 . . . . . . . . 2275 1
53 . 1 1 54 54 CYS H H 1 9.25 . . 1 . . . . . . . . 2275 1
54 . 1 1 54 54 CYS HA H 1 5.96 . . 1 . . . . . . . . 2275 1
55 . 1 1 54 54 CYS HB2 H 1 3.57 . . 2 . . . . . . . . 2275 1
56 . 1 1 54 54 CYS HB3 H 1 3.18 . . 2 . . . . . . . . 2275 1
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save_