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 30338
_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 $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 .
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 ROESY' . . . 30338 1
2 '2D 1H-1H TOCSY 80' . . . 30338 1
3 '2D DQF-COSY' . . . 30338 1
4 '2D 1H-13C HSQC' . . . 30338 1
5 '2D 1H-1H TOCSY 20' . . . 30338 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.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 GLY HA2 H 1 3.856 0.002 . 2 . . 6 . A 1 GLY HA2 . 30338 1
2 . 1 1 1 1 GLY HA3 H 1 3.988 . . 2 . . 8 . A 1 GLY HA3 . 30338 1
3 . 1 1 1 1 GLY H H 1 8.181 0.002 . 1 . . 7 . A 1 GLY H . 30338 1
4 . 1 1 1 1 GLY CA C 13 45.594 . . 1 . . 34 . A 1 GLY CA . 30338 1
5 . 1 1 2 2 LEU H H 1 8.214 0.001 . 1 . . 33 . A 2 LEU H . 30338 1
6 . 1 1 2 2 LEU HA H 1 4.394 0.002 . 1 . . 11 . A 2 LEU HA . 30338 1
7 . 1 1 2 2 LEU HB2 H 1 1.512 0.003 . 2 . . 29 . A 2 LEU HB2 . 30338 1
8 . 1 1 2 2 LEU HB3 H 1 1.559 0.001 . 2 . . 30 . A 2 LEU HB3 . 30338 1
9 . 1 1 2 2 LEU HG H 1 1.501 0.003 . 1 . . 28 . A 2 LEU HG . 30338 1
10 . 1 1 2 2 LEU HD11 H 1 0.797 0.003 . 2 . . 31 . A 2 LEU HD11 . 30338 1
11 . 1 1 2 2 LEU HD12 H 1 0.797 0.003 . 2 . . 31 . A 2 LEU HD12 . 30338 1
12 . 1 1 2 2 LEU HD13 H 1 0.797 0.003 . 2 . . 31 . A 2 LEU HD13 . 30338 1
13 . 1 1 2 2 LEU HD21 H 1 0.836 0.003 . 2 . . 32 . A 2 LEU HD21 . 30338 1
14 . 1 1 2 2 LEU HD22 H 1 0.836 0.003 . 2 . . 32 . A 2 LEU HD22 . 30338 1
15 . 1 1 2 2 LEU HD23 H 1 0.836 0.003 . 2 . . 32 . A 2 LEU HD23 . 30338 1
16 . 1 1 2 2 LEU CA C 13 55.150 . . 1 . . 35 . A 2 LEU CA . 30338 1
17 . 1 1 2 2 LEU CB C 13 42.504 . . 1 . . 44 . A 2 LEU CB . 30338 1
18 . 1 1 2 2 LEU CG C 13 26.986 . . 1 . . 45 . A 2 LEU CG . 30338 1
19 . 1 1 2 2 LEU CD1 C 13 23.251 . . 1 . . 50 . A 2 LEU CD1 . 30338 1
20 . 1 1 3 3 LEU H H 1 8.550 0.003 . 1 . . 5 . A 3 LEU H . 30338 1
21 . 1 1 3 3 LEU HA H 1 4.190 0.002 . 1 . . 4 . A 3 LEU HA . 30338 1
22 . 1 1 3 3 LEU HB2 H 1 1.722 0.002 . 1 . . 25 . A 3 LEU HB2 . 30338 1
23 . 1 1 3 3 LEU HG H 1 1.537 0.002 . 1 . . 26 . A 3 LEU HG . 30338 1
24 . 1 1 3 3 LEU HD11 H 1 0.814 0.001 . 1 . . 27 . A 3 LEU HD11 . 30338 1
25 . 1 1 3 3 LEU HD12 H 1 0.814 0.001 . 1 . . 27 . A 3 LEU HD12 . 30338 1
26 . 1 1 3 3 LEU HD13 H 1 0.814 0.001 . 1 . . 27 . A 3 LEU HD13 . 30338 1
27 . 1 1 3 3 LEU CA C 13 55.697 . . 1 . . 36 . A 3 LEU CA . 30338 1
28 . 1 1 4 4 GLY H H 1 8.187 0.003 . 1 . . 23 . A 4 GLY H . 30338 1
29 . 1 1 4 4 GLY HA2 H 1 3.887 0.001 . 2 . . 22 . A 4 GLY HA2 . 30338 1
30 . 1 1 4 4 GLY HA3 H 1 4.001 0.002 . 2 . . 24 . A 4 GLY HA3 . 30338 1
31 . 1 1 4 4 GLY CA C 13 45.000 . . 1 . . 40 . A 4 GLY CA . 30338 1
32 . 1 1 5 5 ILE H H 1 8.120 0.002 . 1 . . 10 . A 5 ILE H . 30338 1
33 . 1 1 5 5 ILE HA H 1 4.017 0.002 . 1 . . 9 . A 5 ILE HA . 30338 1
34 . 1 1 5 5 ILE HB H 1 1.849 0.002 . 1 . . 17 . A 5 ILE HB . 30338 1
35 . 1 1 5 5 ILE HG12 H 1 1.151 0.003 . 2 . . 19 . A 5 ILE HG12 . 30338 1
36 . 1 1 5 5 ILE HG13 H 1 1.418 0.004 . 2 . . 21 . A 5 ILE HG13 . 30338 1
37 . 1 1 5 5 ILE HG21 H 1 0.882 0.002 . 1 . . 18 . A 5 ILE HG21 . 30338 1
38 . 1 1 5 5 ILE HG22 H 1 0.882 0.002 . 1 . . 18 . A 5 ILE HG22 . 30338 1
39 . 1 1 5 5 ILE HG23 H 1 0.882 0.002 . 1 . . 18 . A 5 ILE HG23 . 30338 1
40 . 1 1 5 5 ILE HD11 H 1 0.794 0.002 . 1 . . 20 . A 5 ILE HD11 . 30338 1
41 . 1 1 5 5 ILE HD12 H 1 0.794 0.002 . 1 . . 20 . A 5 ILE HD12 . 30338 1
42 . 1 1 5 5 ILE HD13 H 1 0.794 0.002 . 1 . . 20 . A 5 ILE HD13 . 30338 1
43 . 1 1 5 5 ILE CA C 13 62.618 . . 1 . . 37 . A 5 ILE CA . 30338 1
44 . 1 1 5 5 ILE CB C 13 38.318 . . 1 . . 42 . A 5 ILE CB . 30338 1
45 . 1 1 5 5 ILE CG2 C 13 17.513 . . 1 . . 47 . A 5 ILE CG2 . 30338 1
46 . 1 1 5 5 ILE CD1 C 13 12.723 . . 1 . . 48 . A 5 ILE CD1 . 30338 1
47 . 1 1 6 6 THR H H 1 8.263 0.002 . 1 . . 13 . A 6 THR H . 30338 1
48 . 1 1 6 6 THR HA H 1 4.173 0.001 . 1 . . 14 . A 6 THR HA . 30338 1
49 . 1 1 6 6 THR HB H 1 4.217 0.003 . 1 . . 16 . A 6 THR HB . 30338 1
50 . 1 1 6 6 THR HG21 H 1 1.120 0.003 . 1 . . 15 . A 6 THR HG1 . 30338 1
51 . 1 1 6 6 THR HG22 H 1 1.120 0.003 . 1 . . 15 . A 6 THR HG1 . 30338 1
52 . 1 1 6 6 THR HG23 H 1 1.120 0.003 . 1 . . 15 . A 6 THR HG1 . 30338 1
53 . 1 1 6 6 THR CA C 13 62.976 . . 1 . . 38 . A 6 THR CA . 30338 1
54 . 1 1 6 6 THR CB C 13 68.899 . . 1 . . 39 . A 6 THR CB . 30338 1
55 . 1 1 7 7 ASP H H 1 8.105 0.003 . 1 . . 1 . A 7 ASP H . 30338 1
56 . 1 1 7 7 ASP HA H 1 4.567 0.002 . 1 . . 2 . A 7 ASP HA . 30338 1
57 . 1 1 7 7 ASP HB2 H 1 2.686 0.002 . 2 . . 3 . A 7 ASP HB2 . 30338 1
58 . 1 1 7 7 ASP HB3 H 1 2.757 0.0 . 2 . . 12 . A 7 ASP HB3 . 30338 1
59 . 1 1 7 7 ASP CB C 13 39.713 . . 1 . . 43 . A 7 ASP CB . 30338 1
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save_