Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 36386
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_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 .
_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 '2D DQF-COSY' 1 $sample_1 isotropic 36386 1
2 '2D DQF-COSY' 2 $sample_2 isotropic 36386 1
3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36386 1
4 '2D 1H-1H NOESY' 2 $sample_2 isotropic 36386 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 1 1 CYS HA H 1 4.445 0.010 . 1 . . . . A 1 CYS HA . 36386 1
2 . 1 . 1 1 1 CYS HB2 H 1 3.350 0.010 . 2 . . . . A 1 CYS HB2 . 36386 1
3 . 1 . 1 2 2 CY1 H H 1 8.757 0.010 . 1 . . . . A 2 CY1 H . 36386 1
4 . 1 . 1 2 2 CY1 HA H 1 4.760 0.010 . 1 . . . . A 2 CY1 HA . 36386 1
5 . 1 . 1 2 2 CY1 HB3 H 1 3.050 0.010 . 1 . . . . A 2 CY1 HB3 . 36386 1
6 . 1 . 1 3 3 GLU H H 1 7.908 0.010 . 1 . . . . A 3 GLU H . 36386 1
7 . 1 . 1 3 3 GLU HA H 1 4.284 0.010 . 1 . . . . A 3 GLU HA . 36386 1
8 . 1 . 1 3 3 GLU HB2 H 1 2.004 0.010 . 1 . . . . A 3 GLU HB2 . 36386 1
9 . 1 . 1 3 3 GLU HB3 H 1 2.170 0.010 . 1 . . . . A 3 GLU HB3 . 36386 1
10 . 1 . 1 3 3 GLU HG2 H 1 2.431 0.010 . 2 . . . . A 3 GLU HG2 . 36386 1
11 . 1 . 1 4 4 LEU H H 1 8.001 0.010 . 1 . . . . A 4 LEU H . 36386 1
12 . 1 . 1 4 4 LEU HA H 1 4.073 0.010 . 1 . . . . A 4 LEU HA . 36386 1
13 . 1 . 1 4 4 LEU HB2 H 1 1.566 0.010 . 1 . . . . A 4 LEU HB2 . 36386 1
14 . 1 . 1 4 4 LEU HB3 H 1 1.636 0.010 . 1 . . . . A 4 LEU HB3 . 36386 1
15 . 1 . 1 4 4 LEU HG H 1 1.600 0.010 . 1 . . . . A 4 LEU HG . 36386 1
16 . 1 . 1 4 4 LEU HD11 H 1 0.804 0.010 . 1 . . . . A 4 LEU HD11 . 36386 1
17 . 1 . 1 4 4 LEU HD12 H 1 0.804 0.010 . 1 . . . . A 4 LEU HD12 . 36386 1
18 . 1 . 1 4 4 LEU HD13 H 1 0.804 0.010 . 1 . . . . A 4 LEU HD13 . 36386 1
19 . 1 . 1 4 4 LEU HD21 H 1 0.850 0.010 . 1 . . . . A 4 LEU HD21 . 36386 1
20 . 1 . 1 4 4 LEU HD22 H 1 0.850 0.010 . 1 . . . . A 4 LEU HD22 . 36386 1
21 . 1 . 1 4 4 LEU HD23 H 1 0.850 0.010 . 1 . . . . A 4 LEU HD23 . 36386 1
22 . 1 . 1 5 5 CYS H H 1 8.029 0.010 . 1 . . . . A 5 CYS H . 36386 1
23 . 1 . 1 5 5 CYS HA H 1 4.662 0.010 . 1 . . . . A 5 CYS HA . 36386 1
24 . 1 . 1 5 5 CYS HB2 H 1 3.005 0.010 . 1 . . . . A 5 CYS HB2 . 36386 1
25 . 1 . 1 5 5 CYS HB3 H 1 3.171 0.010 . 1 . . . . A 5 CYS HB3 . 36386 1
26 . 1 . 1 6 6 CYS H H 1 8.195 0.010 . 1 . . . . A 6 CYS H . 36386 1
27 . 1 . 1 6 6 CYS HA H 1 4.614 0.010 . 1 . . . . A 6 CYS HA . 36386 1
28 . 1 . 1 6 6 CYS HB2 H 1 3.005 0.010 . 2 . . . . A 6 CYS HB2 . 36386 1
29 . 1 . 1 7 7 ASN H H 1 7.762 0.010 . 1 . . . . A 7 ASN H . 36386 1
30 . 1 . 1 7 7 ASN HA H 1 4.970 0.010 . 1 . . . . A 7 ASN HA . 36386 1
31 . 1 . 1 7 7 ASN HB2 H 1 2.711 0.010 . 1 . . . . A 7 ASN HB2 . 36386 1
32 . 1 . 1 7 7 ASN HB3 H 1 3.046 0.010 . 1 . . . . A 7 ASN HB3 . 36386 1
33 . 1 . 1 8 8 PRO HA H 1 4.321 0.010 . 1 . . . . A 8 PRO HA . 36386 1
34 . 1 . 1 8 8 PRO HB2 H 1 2.251 0.010 . 2 . . . . A 8 PRO HB2 . 36386 1
35 . 1 . 1 8 8 PRO HG2 H 1 1.915 0.010 . 2 . . . . A 8 PRO HG2 . 36386 1
36 . 1 . 1 8 8 PRO HD2 H 1 3.759 0.010 . 2 . . . . A 8 PRO HD2 . 36386 1
37 . 1 . 1 9 9 ALA H H 1 7.966 0.010 . 1 . . . . A 9 ALA H . 36386 1
38 . 1 . 1 9 9 ALA HA H 1 4.245 0.010 . 1 . . . . A 9 ALA HA . 36386 1
39 . 1 . 1 9 9 ALA HB1 H 1 1.316 0.010 . 1 . . . . A 9 ALA HB1 . 36386 1
40 . 1 . 1 9 9 ALA HB2 H 1 1.316 0.010 . 1 . . . . A 9 ALA HB2 . 36386 1
41 . 1 . 1 9 9 ALA HB3 H 1 1.316 0.010 . 1 . . . . A 9 ALA HB3 . 36386 1
42 . 1 . 1 10 10 CY1 H H 1 7.732 0.010 . 1 . . . . A 10 CY1 H . 36386 1
43 . 1 . 1 10 10 CY1 HA H 1 4.512 0.010 . 1 . . . . A 10 CY1 HA . 36386 1
44 . 1 . 1 10 10 CY1 HB3 H 1 3.122 0.010 . 1 . . . . A 10 CY1 HB3 . 36386 1
45 . 1 . 1 11 11 THR H H 1 7.975 0.010 . 1 . . . . A 11 THR H . 36386 1
46 . 1 . 1 11 11 THR HA H 1 4.211 0.010 . 1 . . . . A 11 THR HA . 36386 1
47 . 1 . 1 11 11 THR HB H 1 4.183 0.010 . 1 . . . . A 11 THR HB . 36386 1
48 . 1 . 1 11 11 THR HG21 H 1 1.169 0.010 . 1 . . . . A 11 THR HG21 . 36386 1
49 . 1 . 1 11 11 THR HG22 H 1 1.169 0.010 . 1 . . . . A 11 THR HG22 . 36386 1
50 . 1 . 1 11 11 THR HG23 H 1 1.169 0.010 . 1 . . . . A 11 THR HG23 . 36386 1
51 . 1 . 1 12 12 GLY H H 1 8.310 0.010 . 1 . . . . A 12 GLY H . 36386 1
52 . 1 . 1 12 12 GLY HA2 H 1 3.846 0.010 . 1 . . . . A 12 GLY HA2 . 36386 1
53 . 1 . 1 12 12 GLY HA3 H 1 4.059 0.010 . 1 . . . . A 12 GLY HA3 . 36386 1
54 . 1 . 1 13 13 CYS H H 1 7.839 0.010 . 1 . . . . A 13 CYS H . 36386 1
55 . 1 . 1 13 13 CYS HA H 1 4.690 0.010 . 1 . . . . A 13 CYS HA . 36386 1
56 . 1 . 1 13 13 CYS HB2 H 1 3.125 0.010 . 2 . . . . A 13 CYS HB2 . 36386 1
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