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 30747
_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 $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 1H-1H TOCSY' . . . 30747 1
2 '2D 1H-1H NOESY' . . . 30747 1
3 '2D DQF-COSY' . . . 30747 1
4 '2D 1H-13C HSQC' . . . 30747 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 GLY H H 1 8.119 0.000 . 1 . . . . A 1 GLY H1 . 30747 1
2 . 1 . 1 1 1 GLY HA2 H 1 3.842 0.000 . 2 . . . . A 1 GLY HA2 . 30747 1
3 . 1 . 1 1 1 GLY HA3 H 1 4.096 0.000 . 2 . . . . A 1 GLY HA3 . 30747 1
4 . 1 . 1 1 1 GLY CA C 13 45.643 0.000 . 1 . . . . A 1 GLY CA . 30747 1
5 . 1 . 1 2 2 THR H H 1 7.535 0.000 . 1 . . . . A 2 THR H . 30747 1
6 . 1 . 1 2 2 THR HA H 1 4.718 0.000 . 1 . . . . A 2 THR HA . 30747 1
7 . 1 . 1 2 2 THR HB H 1 4.522 0.000 . 1 . . . . A 2 THR HB . 30747 1
8 . 1 . 1 2 2 THR HG21 H 1 1.060 0.000 . 1 . . . . A 2 THR HG21 . 30747 1
9 . 1 . 1 2 2 THR HG22 H 1 1.060 0.000 . 1 . . . . A 2 THR HG22 . 30747 1
10 . 1 . 1 2 2 THR HG23 H 1 1.060 0.000 . 1 . . . . A 2 THR HG23 . 30747 1
11 . 1 . 1 2 2 THR CB C 13 71.624 0.000 . 1 . . . . A 2 THR CB . 30747 1
12 . 1 . 1 2 2 THR CG2 C 13 21.417 0.000 . 1 . . . . A 2 THR CG2 . 30747 1
13 . 1 . 1 3 3 VAL H H 1 8.247 0.001 . 1 . . . . A 3 VAL H . 30747 1
14 . 1 . 1 3 3 VAL HA H 1 3.706 0.000 . 1 . . . . A 3 VAL HA . 30747 1
15 . 1 . 1 3 3 VAL HB H 1 2.006 0.000 . 1 . . . . A 3 VAL HB . 30747 1
16 . 1 . 1 3 3 VAL HG21 H 1 0.932 0.000 . 2 . . . . A 3 VAL HG21 . 30747 1
17 . 1 . 1 3 3 VAL HG22 H 1 0.932 0.000 . 2 . . . . A 3 VAL HG22 . 30747 1
18 . 1 . 1 3 3 VAL HG23 H 1 0.932 0.000 . 2 . . . . A 3 VAL HG23 . 30747 1
19 . 1 . 1 3 3 VAL CA C 13 64.980 0.000 . 1 . . . . A 3 VAL CA . 30747 1
20 . 1 . 1 3 3 VAL CB C 13 31.535 0.000 . 1 . . . . A 3 VAL CB . 30747 1
21 . 1 . 1 3 3 VAL CG1 C 13 21.487 0.000 . 2 . . . . A 3 VAL CG1 . 30747 1
22 . 1 . 1 3 3 VAL CG2 C 13 20.811 0.000 . 2 . . . . A 3 VAL CG2 . 30747 1
23 . 1 . 1 4 4 ALA H H 1 7.858 0.000 . 1 . . . . A 4 ALA H . 30747 1
24 . 1 . 1 4 4 ALA HA H 1 4.219 0.000 . 1 . . . . A 4 ALA HA . 30747 1
25 . 1 . 1 4 4 ALA HB1 H 1 1.382 0.000 . 1 . . . . A 4 ALA HB1 . 30747 1
26 . 1 . 1 4 4 ALA HB2 H 1 1.382 0.000 . 1 . . . . A 4 ALA HB2 . 30747 1
27 . 1 . 1 4 4 ALA HB3 H 1 1.382 0.000 . 1 . . . . A 4 ALA HB3 . 30747 1
28 . 1 . 1 4 4 ALA CA C 13 53.580 0.000 . 1 . . . . A 4 ALA CA . 30747 1
29 . 1 . 1 4 4 ALA CB C 13 19.646 0.000 . 1 . . . . A 4 ALA CB . 30747 1
30 . 1 . 1 5 5 VAL H H 1 7.605 0.000 . 1 . . . . A 5 VAL H . 30747 1
31 . 1 . 1 5 5 VAL HA H 1 4.092 0.000 . 1 . . . . A 5 VAL HA . 30747 1
32 . 1 . 1 5 5 VAL HB H 1 1.969 0.000 . 1 . . . . A 5 VAL HB . 30747 1
33 . 1 . 1 5 5 VAL HG21 H 1 0.697 0.000 . 2 . . . . A 5 VAL HG21 . 30747 1
34 . 1 . 1 5 5 VAL HG22 H 1 0.697 0.000 . 2 . . . . A 5 VAL HG22 . 30747 1
35 . 1 . 1 5 5 VAL HG23 H 1 0.697 0.000 . 2 . . . . A 5 VAL HG23 . 30747 1
36 . 1 . 1 5 5 VAL CA C 13 60.994 0.000 . 1 . . . . A 5 VAL CA . 30747 1
37 . 1 . 1 5 5 VAL CB C 13 32.747 0.000 . 1 . . . . A 5 VAL CB . 30747 1
38 . 1 . 1 5 5 VAL CG1 C 13 19.949 0.000 . 2 . . . . A 5 VAL CG1 . 30747 1
39 . 1 . 1 5 5 VAL CG2 C 13 22.303 0.000 . 2 . . . . A 5 VAL CG2 . 30747 1
40 . 1 . 1 6 6 GLN H H 1 8.831 0.000 . 1 . . . . A 6 GLN H . 30747 1
41 . 1 . 1 6 6 GLN HA H 1 4.168 0.000 . 1 . . . . A 6 GLN HA . 30747 1
42 . 1 . 1 6 6 GLN HB2 H 1 2.061 0.000 . 2 . . . . A 6 GLN HB2 . 30747 1
43 . 1 . 1 6 6 GLN HB3 H 1 2.061 0.000 . 2 . . . . A 6 GLN HB3 . 30747 1
44 . 1 . 1 6 6 GLN HG2 H 1 2.399 0.000 . 2 . . . . A 6 GLN HG2 . 30747 1
45 . 1 . 1 6 6 GLN HG3 H 1 2.315 0.000 . 2 . . . . A 6 GLN HG3 . 30747 1
46 . 1 . 1 6 6 GLN CA C 13 59.712 0.000 . 1 . . . . A 6 GLN CA . 30747 1
47 . 1 . 1 6 6 GLN CB C 13 27.898 0.000 . 1 . . . . A 6 GLN CB . 30747 1
48 . 1 . 1 6 6 GLN CG C 13 33.633 0.000 . 1 . . . . A 6 GLN CG . 30747 1
49 . 1 . 1 7 7 PHE H H 1 8.319 0.000 . 1 . . . . A 7 PHE H . 30747 1
50 . 1 . 1 7 7 PHE HA H 1 4.506 0.000 . 1 . . . . A 7 PHE HA . 30747 1
51 . 1 . 1 7 7 PHE HB2 H 1 3.304 0.000 . 2 . . . . A 7 PHE HB2 . 30747 1
52 . 1 . 1 7 7 PHE HB3 H 1 2.969 0.000 . 2 . . . . A 7 PHE HB3 . 30747 1
53 . 1 . 1 7 7 PHE HD1 H 1 7.225 0.000 . 3 . . . . A 7 PHE HD1 . 30747 1
54 . 1 . 1 7 7 PHE HD2 H 1 7.225 0.000 . 3 . . . . A 7 PHE HD2 . 30747 1
55 . 1 . 1 7 7 PHE HE1 H 1 7.351 0.000 . 3 . . . . A 7 PHE HE1 . 30747 1
56 . 1 . 1 7 7 PHE HE2 H 1 7.351 0.000 . 3 . . . . A 7 PHE HE2 . 30747 1
57 . 1 . 1 7 7 PHE CA C 13 59.362 0.000 . 1 . . . . A 7 PHE CA . 30747 1
58 . 1 . 1 7 7 PHE CB C 13 38.319 0.000 . 1 . . . . A 7 PHE CB . 30747 1
59 . 1 . 1 8 8 LEU H H 1 7.288 0.000 . 1 . . . . A 8 LEU H . 30747 1
60 . 1 . 1 8 8 LEU HA H 1 4.413 0.000 . 1 . . . . A 8 LEU HA . 30747 1
61 . 1 . 1 8 8 LEU HB2 H 1 1.696 0.000 . 2 . . . . A 8 LEU HB2 . 30747 1
62 . 1 . 1 8 8 LEU HB3 H 1 1.611 0.000 . 2 . . . . A 8 LEU HB3 . 30747 1
63 . 1 . 1 8 8 LEU HG H 1 1.283 0.000 . 1 . . . . A 8 LEU HG . 30747 1
64 . 1 . 1 8 8 LEU CA C 13 54.070 0.000 . 1 . . . . A 8 LEU CA . 30747 1
65 . 1 . 1 8 8 LEU CG C 13 26.313 0.000 . 1 . . . . A 8 LEU CG . 30747 1
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save_