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 51742
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 1H
_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 $chem_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 .
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_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' . . . 51742 1
2 '2D 1H-1H NOESY' . . . 51742 1
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_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 51742 1
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_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 DCY HA H 1 4.505 0.010 . 1 . . . . . 5 DCY HA . 51742 1
2 . 1 . 1 1 1 DCY HB2 H 1 3.385 0.010 . 2 . . . . . 5 DCY HB2 . 51742 1
3 . 1 . 1 2 2 CYS HB2 H 1 3.049 0.010 . 1 . . . . . 6 CYS HB2 . 51742 1
4 . 1 . 1 2 2 CYS HB3 H 1 3.540 0.010 . 1 . . . . . 6 CYS HB3 . 51742 1
5 . 1 . 1 3 3 GLU HA H 1 4.389 0.010 . 1 . . . . . 7 GLU HA . 51742 1
6 . 1 . 1 3 3 GLU HB2 H 1 2.126 0.010 . 1 . . . . . 7 GLU HB2 . 51742 1
7 . 1 . 1 3 3 GLU HB3 H 1 2.199 0.010 . 1 . . . . . 7 GLU HB3 . 51742 1
8 . 1 . 1 3 3 GLU HG2 H 1 2.292 0.010 . 1 . . . . . 7 GLU HG2 . 51742 1
9 . 1 . 1 3 3 GLU HG3 H 1 2.539 0.010 . 1 . . . . . 7 GLU HG3 . 51742 1
10 . 1 . 1 4 4 LEU H H 1 7.481 0.010 . 1 . . . . . 8 LEU H . 51742 1
11 . 1 . 1 4 4 LEU HA H 1 4.780 0.010 . 1 . . . . . 8 LEU HA . 51742 1
12 . 1 . 1 4 4 LEU HB2 H 1 1.654 0.010 . 1 . . . . . 8 LEU HB2 . 51742 1
13 . 1 . 1 4 4 LEU HB3 H 1 1.909 0.010 . 1 . . . . . 8 LEU HB3 . 51742 1
14 . 1 . 1 4 4 LEU HG H 1 1.654 0.010 . 1 . . . . . 8 LEU HG . 51742 1
15 . 1 . 1 4 4 LEU HD11 H 1 0.930 0.010 . 1 . . . . . 8 LEU MD1 . 51742 1
16 . 1 . 1 4 4 LEU HD12 H 1 0.930 0.010 . 1 . . . . . 8 LEU MD1 . 51742 1
17 . 1 . 1 4 4 LEU HD13 H 1 0.930 0.010 . 1 . . . . . 8 LEU MD1 . 51742 1
18 . 1 . 1 4 4 LEU HD21 H 1 0.996 0.010 . 1 . . . . . 8 LEU MD2 . 51742 1
19 . 1 . 1 4 4 LEU HD22 H 1 0.996 0.010 . 1 . . . . . 8 LEU MD2 . 51742 1
20 . 1 . 1 4 4 LEU HD23 H 1 0.996 0.010 . 1 . . . . . 8 LEU MD2 . 51742 1
21 . 1 . 1 5 5 CYS H H 1 8.496 0.010 . 1 . . . . . 9 CYS H . 51742 1
22 . 1 . 1 5 5 CYS HA H 1 4.406 0.010 . 1 . . . . . 9 CYS HA . 51742 1
23 . 1 . 1 5 5 CYS HB2 H 1 2.936 0.010 . 1 . . . . . 9 CYS HB2 . 51742 1
24 . 1 . 1 5 5 CYS HB3 H 1 3.229 0.010 . 1 . . . . . 9 CYS HB3 . 51742 1
25 . 1 . 1 6 6 CYS H H 1 6.932 0.010 . 1 . . . . . 10 CYS H . 51742 1
26 . 1 . 1 6 6 CYS HA H 1 4.441 0.010 . 1 . . . . . 10 CYS HA . 51742 1
27 . 1 . 1 6 6 CYS HB2 H 1 3.340 0.010 . 1 . . . . . 10 CYS HB2 . 51742 1
28 . 1 . 1 6 6 CYS HB3 H 1 3.489 0.010 . 1 . . . . . 10 CYS HB3 . 51742 1
29 . 1 . 1 7 7 ASN H H 1 7.234 0.010 . 1 . . . . . 11 ASN H . 51742 1
30 . 1 . 1 7 7 ASN HA H 1 5.131 0.010 . 1 . . . . . 11 ASN HA . 51742 1
31 . 1 . 1 7 7 ASN HB2 H 1 2.873 0.010 . 2 . . . . . 11 ASN HB2 . 51742 1
32 . 1 . 1 7 7 ASN HD21 H 1 6.896 0.010 . 1 . . . . . 11 ASN HD21 . 51742 1
33 . 1 . 1 7 7 ASN HD22 H 1 7.683 0.010 . 1 . . . . . 11 ASN HD22 . 51742 1
34 . 1 . 1 8 8 PRO HA H 1 4.378 0.010 . 1 . . . . . 12 PRO HA . 51742 1
35 . 1 . 1 8 8 PRO HB2 H 1 2.397 0.010 . 2 . . . . . 12 PRO HB2 . 51742 1
36 . 1 . 1 8 8 PRO HG2 H 1 2.013 0.010 . 2 . . . . . 12 PRO HG2 . 51742 1
37 . 1 . 1 8 8 PRO HD2 H 1 3.734 0.010 . 1 . . . . . 12 PRO HD2 . 51742 1
38 . 1 . 1 8 8 PRO HD3 H 1 3.819 0.010 . 1 . . . . . 12 PRO HD3 . 51742 1
39 . 1 . 1 9 9 ALA H H 1 8.487 0.010 . 1 . . . . . 13 ALA H . 51742 1
40 . 1 . 1 9 9 ALA HA H 1 4.360 0.010 . 1 . . . . . 13 ALA HA . 51742 1
41 . 1 . 1 9 9 ALA HB1 H 1 1.410 0.010 . 1 . . . . . 13 ALA MB . 51742 1
42 . 1 . 1 9 9 ALA HB2 H 1 1.410 0.010 . 1 . . . . . 13 ALA MB . 51742 1
43 . 1 . 1 9 9 ALA HB3 H 1 1.410 0.010 . 1 . . . . . 13 ALA MB . 51742 1
44 . 1 . 1 10 10 CYS H H 1 7.665 0.010 . 1 . . . . . 14 CYS H . 51742 1
45 . 1 . 1 10 10 CYS HA H 1 4.418 0.010 . 1 . . . . . 14 CYS HA . 51742 1
46 . 1 . 1 10 10 CYS HB2 H 1 3.150 0.010 . 2 . . . . . 14 CYS HB2 . 51742 1
47 . 1 . 1 11 11 ALA H H 1 8.682 0.010 . 1 . . . . . 15 ALA H . 51742 1
48 . 1 . 1 11 11 ALA HA H 1 4.271 0.010 . 1 . . . . . 15 ALA HA . 51742 1
49 . 1 . 1 11 11 ALA HB1 H 1 1.437 0.010 . 1 . . . . . 15 ALA MB . 51742 1
50 . 1 . 1 11 11 ALA HB2 H 1 1.437 0.010 . 1 . . . . . 15 ALA MB . 51742 1
51 . 1 . 1 11 11 ALA HB3 H 1 1.437 0.010 . 1 . . . . . 15 ALA MB . 51742 1
52 . 1 . 1 12 12 DLY H H 1 8.738 0.010 . 1 . . . . . 16 DLY H . 51742 1
53 . 1 . 1 12 12 DLY HA H 1 4.205 0.010 . 1 . . . . . 16 DLY HA . 51742 1
54 . 1 . 1 12 12 DLY HB2 H 1 1.878 0.010 . 1 . . . . . 16 DLY HB2 . 51742 1
55 . 1 . 1 12 12 DLY HB3 H 1 2.005 0.010 . 1 . . . . . 16 DLY HB3 . 51742 1
56 . 1 . 1 12 12 DLY HG2 H 1 1.524 0.010 . 1 . . . . . 16 DLY HG2 . 51742 1
57 . 1 . 1 12 12 DLY HG3 H 1 1.555 0.010 . 1 . . . . . 16 DLY HG3 . 51742 1
58 . 1 . 1 12 12 DLY HD2 H 1 1.726 0.010 . 2 . . . . . 16 DLY HD2 . 51742 1
59 . 1 . 1 12 12 DLY HE2 H 1 3.059 0.010 . 2 . . . . . 16 DLY HE2 . 51742 1
60 . 1 . 1 13 13 CYS H H 1 7.494 0.010 . 1 . . . . . 17 CYS H . 51742 1
61 . 1 . 1 13 13 CYS HA H 1 4.600 0.010 . 1 . . . . . 17 CYS HA . 51742 1
62 . 1 . 1 13 13 CYS HB2 H 1 2.910 0.010 . 1 . . . . . 17 CYS HB2 . 51742 1
63 . 1 . 1 13 13 CYS HB3 H 1 3.070 0.010 . 1 . . . . . 17 CYS HB3 . 51742 1
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