Content for NMR-STAR saveframe, "tAIP-III_assignments"
save_tAIP-III_assignments
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode tAIP-III_assignments
_Assigned_chem_shift_list.Entry_ID 21041
_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 21041 1
2 '2D 1H-1H COSY' 1 $sample_1 isotropic 21041 1
3 '2D 1H-1H ROESY' 1 $sample_1 isotropic 21041 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 1 1 ACE H1 H 1 1.848 0.019 . 1 . . . . c1 A HA# . 21041 1
2 . 1 1 1 1 ACE H2 H 1 1.848 0.019 . 1 . . . . c1 A HA# . 21041 1
3 . 1 1 1 1 ACE H3 H 1 1.848 0.019 . 1 . . . . c1 A HA# . 21041 1
4 . 1 1 2 2 CYS H H 1 8.077 0.018 . 1 . . . . 2 C HN . 21041 1
5 . 1 1 2 2 CYS HA H 1 4.292 0.003 . 1 . . . . 2 C HA . 21041 1
6 . 1 1 2 2 CYS HB2 H 1 3.191 0.017 . 1 . . . . 2 C HB1 . 21041 1
7 . 1 1 2 2 CYS HB3 H 1 2.759 0.018 . 1 . . . . 2 C HB2 . 21041 1
8 . 1 1 3 3 ASP H H 1 8.175 0.018 . 1 . . . . 3 D HN . 21041 1
9 . 1 1 3 3 ASP HA H 1 4.463 0.003 . 1 . . . . 3 D HA . 21041 1
10 . 1 1 3 3 ASP HB2 H 1 2.557 0.025 . 1 . . . . 3 D HB1 . 21041 1
11 . 1 1 3 3 ASP HB3 H 1 2.496 0.015 . 1 . . . . 3 D HB2 . 21041 1
12 . 1 1 4 4 PHE H H 1 8.152 0.014 . 1 . . . . 4 F HN . 21041 1
13 . 1 1 4 4 PHE HA H 1 4.277 0.001 . 1 . . . . 4 F HA . 21041 1
14 . 1 1 4 4 PHE HB2 H 1 3.099 0.019 . 2 . . . . 4 F HB# . 21041 1
15 . 1 1 4 4 PHE HB3 H 1 3.099 0.019 . 2 . . . . 4 F HB# . 21041 1
16 . 1 1 4 4 PHE HD1 H 1 7.161 0.019 . 3 . . . . 4 F HD# . 21041 1
17 . 1 1 4 4 PHE HD2 H 1 7.161 0.019 . 3 . . . . 4 F HD# . 21041 1
18 . 1 1 4 4 PHE HE1 H 1 7.286 0.004 . 3 . . . . 4 F HE# . 21041 1
19 . 1 1 4 4 PHE HE2 H 1 7.286 0.004 . 3 . . . . 4 F HE# . 21041 1
20 . 1 1 5 5 LEU H H 1 7.832 0.018 . 1 . . . . 5 L HN . 21041 1
21 . 1 1 5 5 LEU HA H 1 4.102 0.003 . 1 . . . . 5 L HA . 21041 1
22 . 1 1 5 5 LEU HB2 H 1 1.636 0.020 . 1 . . . . 5 L HB1 . 21041 1
23 . 1 1 5 5 LEU HB3 H 1 1.484 0.022 . 1 . . . . 5 L HB2 . 21041 1
24 . 1 1 5 5 LEU HD11 H 1 0.747 0.019 . 2 . . . . 5 L HD1# . 21041 1
25 . 1 1 5 5 LEU HD12 H 1 0.747 0.019 . 2 . . . . 5 L HD1# . 21041 1
26 . 1 1 5 5 LEU HD13 H 1 0.747 0.019 . 2 . . . . 5 L HD1# . 21041 1
27 . 1 1 5 5 LEU HD21 H 1 0.664 0.019 . 2 . . . . 5 L HD2# . 21041 1
28 . 1 1 5 5 LEU HD22 H 1 0.664 0.019 . 2 . . . . 5 L HD2# . 21041 1
29 . 1 1 5 5 LEU HD23 H 1 0.664 0.019 . 2 . . . . 5 L HD2# . 21041 1
30 . 1 1 5 5 LEU HG H 1 1.148 0.016 . 1 . . . . 5 L HG . 21041 1
31 . 1 1 6 6 LEU H H 1 8.124 0.018 . 1 . . . . 6 L HN . 21041 1
32 . 1 1 6 6 LEU HA H 1 4.459 0.002 . 1 . . . . 6 L HA . 21041 1
33 . 1 1 6 6 LEU HB2 H 1 1.706 0.021 . 1 . . . . 6 L HB1 . 21041 1
34 . 1 1 6 6 LEU HB3 H 1 1.645 0.016 . 1 . . . . 6 L HB2 . 21041 1
35 . 1 1 6 6 LEU HD11 H 1 0.861 0.020 . 2 . . . . 6 L HD1# . 21041 1
36 . 1 1 6 6 LEU HD12 H 1 0.861 0.020 . 2 . . . . 6 L HD1# . 21041 1
37 . 1 1 6 6 LEU HD13 H 1 0.861 0.020 . 2 . . . . 6 L HD1# . 21041 1
38 . 1 1 6 6 LEU HD21 H 1 0.754 0.020 . 2 . . . . 6 L HD2# . 21041 1
39 . 1 1 6 6 LEU HD22 H 1 0.754 0.020 . 2 . . . . 6 L HD2# . 21041 1
40 . 1 1 6 6 LEU HD23 H 1 0.754 0.020 . 2 . . . . 6 L HD2# . 21041 1
41 . 1 1 6 6 LEU HG H 1 1.553 0.025 . 1 . . . . 6 L HG . 21041 1
stop_
save_