Content for NMR-STAR saveframe, "tAIP-III_D2A_assignments"
save_tAIP-III_D2A_assignments
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode tAIP-III_D2A_assignments
_Assigned_chem_shift_list.Entry_ID 21042
_Assigned_chem_shift_list.ID 1
_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 1H-1H TOCSY' 1 $sample_1 isotropic 21042 1
2 '2D 1H-1H COSY' 1 $sample_1 isotropic 21042 1
3 '2D 1H-1H ROESY' 1 $sample_1 isotropic 21042 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_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 1 1 ACE H1 H 1 1.869 0.005 . 1 . . . . c1 A HA# . 21042 1
2 . 1 1 1 1 ACE H2 H 1 1.869 0.005 . 1 . . . . c1 A HA# . 21042 1
3 . 1 1 1 1 ACE H3 H 1 1.869 0.005 . 1 . . . . c1 A HA# . 21042 1
4 . 1 1 2 2 CYS H H 1 8.081 0.004 . 1 . . . . 2 C HN . 21042 1
5 . 1 1 2 2 CYS HA H 1 4.321 0.004 . 1 . . . . 2 C HA . 21042 1
6 . 1 1 2 2 CYS HB2 H 1 3.195 0.005 . 1 . . . . 2 C HB1 . 21042 1
7 . 1 1 2 2 CYS HB3 H 1 2.788 0.004 . 1 . . . . 2 C HB2 . 21042 1
8 . 1 1 3 3 ALA H H 1 8.116 0.003 . 1 . . . . 3 A HN . 21042 1
9 . 1 1 3 3 ALA HA H 1 4.110 0.002 . 1 . . . . 3 A HA . 21042 1
10 . 1 1 3 3 ALA HB1 H 1 1.137 0.006 . 1 . . . . 3 A HB# . 21042 1
11 . 1 1 3 3 ALA HB2 H 1 1.137 0.006 . 1 . . . . 3 A HB# . 21042 1
12 . 1 1 3 3 ALA HB3 H 1 1.137 0.006 . 1 . . . . 3 A HB# . 21042 1
13 . 1 1 4 4 PHE H H 1 8.053 0.004 . 1 . . . . 4 F HN . 21042 1
14 . 1 1 4 4 PHE HA H 1 4.334 0.002 . 1 . . . . 4 F HA . 21042 1
15 . 1 1 4 4 PHE HB2 H 1 3.121 0.006 . 1 . . . . 4 F HB1 . 21042 1
16 . 1 1 4 4 PHE HB3 H 1 3.058 0.006 . 1 . . . . 4 F HB2 . 21042 1
17 . 1 1 4 4 PHE HD1 H 1 7.177 0.005 . 3 . . . . 4 F HD# . 21042 1
18 . 1 1 4 4 PHE HD2 H 1 7.177 0.005 . 3 . . . . 4 F HD# . 21042 1
19 . 1 1 4 4 PHE HE1 H 1 7.274 0.004 . 3 . . . . 4 F HE# . 21042 1
20 . 1 1 4 4 PHE HE2 H 1 7.274 0.004 . 3 . . . . 4 F HE# . 21042 1
21 . 1 1 5 5 LEU H H 1 7.859 0.005 . 1 . . . . 5 L HN . 21042 1
22 . 1 1 5 5 LEU HA H 1 4.130 0.002 . 1 . . . . 5 L HA . 21042 1
23 . 1 1 5 5 LEU HB2 H 1 1.670 0.004 . 1 . . . . 5 L HB1 . 21042 1
24 . 1 1 5 5 LEU HB3 H 1 1.502 0.004 . 1 . . . . 5 L HB2 . 21042 1
25 . 1 1 5 5 LEU HD11 H 1 0.779 0.007 . 2 . . . . 5 L HD1# . 21042 1
26 . 1 1 5 5 LEU HD12 H 1 0.779 0.007 . 2 . . . . 5 L HD1# . 21042 1
27 . 1 1 5 5 LEU HD13 H 1 0.779 0.007 . 2 . . . . 5 L HD1# . 21042 1
28 . 1 1 5 5 LEU HD21 H 1 0.697 0.004 . 2 . . . . 5 L HD2# . 21042 1
29 . 1 1 5 5 LEU HD22 H 1 0.697 0.004 . 2 . . . . 5 L HD2# . 21042 1
30 . 1 1 5 5 LEU HD23 H 1 0.697 0.004 . 2 . . . . 5 L HD2# . 21042 1
31 . 1 1 5 5 LEU HG H 1 1.210 0.006 . 1 . . . . 5 L HG . 21042 1
32 . 1 1 6 6 LEU H H 1 8.210 0.004 . 1 . . . . 6 L HN . 21042 1
33 . 1 1 6 6 LEU HA H 1 4.519 0.001 . 1 . . . . 6 L HA . 21042 1
34 . 1 1 6 6 LEU HB2 H 1 1.720 0.007 . 1 . . . . 6 L HB1 . 21042 1
35 . 1 1 6 6 LEU HB3 H 1 1.656 0.011 . 1 . . . . 6 L HB2 . 21042 1
36 . 1 1 6 6 LEU HD11 H 1 0.879 0.005 . 2 . . . . 6 L HD1# . 21042 1
37 . 1 1 6 6 LEU HD12 H 1 0.879 0.005 . 2 . . . . 6 L HD1# . 21042 1
38 . 1 1 6 6 LEU HD13 H 1 0.879 0.005 . 2 . . . . 6 L HD1# . 21042 1
39 . 1 1 6 6 LEU HD21 H 1 0.777 0.003 . 2 . . . . 6 L HD2# . 21042 1
40 . 1 1 6 6 LEU HD22 H 1 0.777 0.003 . 2 . . . . 6 L HD2# . 21042 1
41 . 1 1 6 6 LEU HD23 H 1 0.777 0.003 . 2 . . . . 6 L HD2# . 21042 1
42 . 1 1 6 6 LEU HG H 1 1.562 0.013 . 1 . . . . 6 L HG . 21042 1
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