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 30882
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 4
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_4
_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' . . . 30882 1
2 '2D 1H-1H NOESY' . . . 30882 1
3 '2D 1H-13C HSQC' . . . 30882 1
4 '2D 1H-15N HSQC' . . . 30882 1
5 '2D 1H-1H TOCSY' . . . 30882 1
6 '2D 1H-1H TOCSY' . . . 30882 1
7 '2D 1H-1H TOCSY' . . . 30882 1
8 '2D 1H-1H TOCSY' . . . 30882 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 7.571 0.000 . . . . . A A 1 GLY H1 . 30882 1
2 . 1 . 1 1 1 GLY HA2 H 1 3.847 0.002 . . . . . A A 1 GLY HA2 . 30882 1
3 . 1 . 1 1 1 GLY CA C 13 46.307 0.000 . . . . . A A 1 GLY CA . 30882 1
4 . 1 . 1 1 1 GLY N N 15 106.772 0.000 . . . . . A A 1 GLY N . 30882 1
5 . 1 . 1 2 2 LEU H H 1 7.363 0.000 . . . . . A A 2 LEU H . 30882 1
6 . 1 . 1 2 2 LEU HA H 1 4.403 0.000 . . . . . A A 2 LEU HA . 30882 1
7 . 1 . 1 2 2 LEU HB2 H 1 1.647 0.002 . . . . . A A 2 LEU HB2 . 30882 1
8 . 1 . 1 2 2 LEU HB3 H 1 1.566 0.002 . . . . . A A 2 LEU HB3 . 30882 1
9 . 1 . 1 2 2 LEU HG H 1 1.730 0.002 . . . . . A A 2 LEU HG . 30882 1
10 . 1 . 1 2 2 LEU HD11 H 1 1.027 0.002 . . . . . A A 2 LEU HD11 . 30882 1
11 . 1 . 1 2 2 LEU HD12 H 1 1.027 0.002 . . . . . A A 2 LEU HD12 . 30882 1
12 . 1 . 1 2 2 LEU HD13 H 1 1.027 0.002 . . . . . A A 2 LEU HD13 . 30882 1
13 . 1 . 1 2 2 LEU HD21 H 1 0.956 0.002 . . . . . A A 2 LEU HD21 . 30882 1
14 . 1 . 1 2 2 LEU HD22 H 1 0.956 0.002 . . . . . A A 2 LEU HD22 . 30882 1
15 . 1 . 1 2 2 LEU HD23 H 1 0.956 0.002 . . . . . A A 2 LEU HD23 . 30882 1
16 . 1 . 1 2 2 LEU CA C 13 53.431 0.000 . . . . . A A 2 LEU CA . 30882 1
17 . 1 . 1 2 2 LEU CB C 13 41.937 0.000 . . . . . A A 2 LEU CB . 30882 1
18 . 1 . 1 2 2 LEU CG C 13 27.142 0.000 . . . . . A A 2 LEU CG . 30882 1
19 . 1 . 1 2 2 LEU CD1 C 13 15.446 0.000 . . . . . A A 2 LEU CD1 . 30882 1
20 . 1 . 1 2 2 LEU CD2 C 13 22.868 0.000 . . . . . A A 2 LEU CD2 . 30882 1
21 . 1 . 1 2 2 LEU N N 15 113.832 0.000 . . . . . A A 2 LEU N . 30882 1
22 . 1 . 1 3 3 PHE H H 1 7.512 0.000 . . . . . A A 3 PHE H . 30882 1
23 . 1 . 1 3 3 PHE HA H 1 4.546 0.004 . . . . . A A 3 PHE HA . 30882 1
24 . 1 . 1 3 3 PHE HB2 H 1 3.461 0.002 . . . . . A A 3 PHE HB2 . 30882 1
25 . 1 . 1 3 3 PHE HB3 H 1 3.040 0.002 . . . . . A A 3 PHE HB3 . 30882 1
26 . 1 . 1 3 3 PHE CA C 13 58.136 0.000 . . . . . A A 3 PHE CA . 30882 1
27 . 1 . 1 3 3 PHE CB C 13 40.363 0.000 . . . . . A A 3 PHE CB . 30882 1
28 . 1 . 1 3 3 PHE N N 15 123.987 0.000 . . . . . A A 3 PHE N . 30882 1
29 . 1 . 1 4 4 PRO HA H 1 3.308 0.000 . . . . . A A 4 PRO HA . 30882 1
30 . 1 . 1 4 4 PRO HB2 H 1 1.729 0.002 . . . . . A A 4 PRO HB2 . 30882 1
31 . 1 . 1 4 4 PRO HB3 H 1 0.704 0.000 . . . . . A A 4 PRO HB3 . 30882 1
32 . 1 . 1 4 4 PRO HG2 H 1 1.487 0.002 . . . . . A A 4 PRO HG2 . 30882 1
33 . 1 . 1 4 4 PRO HG3 H 1 1.020 0.002 . . . . . A A 4 PRO HG3 . 30882 1
34 . 1 . 1 4 4 PRO HD2 H 1 3.172 0.002 . . . . . A A 4 PRO HD2 . 30882 1
35 . 1 . 1 4 4 PRO HD3 H 1 3.038 0.002 . . . . . A A 4 PRO HD3 . 30882 1
36 . 1 . 1 4 4 PRO CA C 13 62.940 0.000 . . . . . A A 4 PRO CA . 30882 1
37 . 1 . 1 4 4 PRO CB C 13 33.007 0.000 . . . . . A A 4 PRO CB . 30882 1
38 . 1 . 1 4 4 PRO CG C 13 23.729 0.000 . . . . . A A 4 PRO CG . 30882 1
39 . 1 . 1 4 4 PRO CD C 13 49.057 0.000 . . . . . A A 4 PRO CD . 30882 1
40 . 1 . 1 5 5 TYR H H 1 8.773 0.001 . . . . . A A 5 TYR H . 30882 1
41 . 1 . 1 5 5 TYR HA H 1 4.336 0.000 . . . . . A A 5 TYR HA . 30882 1
42 . 1 . 1 5 5 TYR HB2 H 1 3.247 0.002 . . . . . A A 5 TYR HB2 . 30882 1
43 . 1 . 1 5 5 TYR HB3 H 1 2.924 0.002 . . . . . A A 5 TYR HB3 . 30882 1
44 . 1 . 1 5 5 TYR CA C 13 58.534 0.000 . . . . . A A 5 TYR CA . 30882 1
45 . 1 . 1 5 5 TYR CB C 13 37.861 0.000 . . . . . A A 5 TYR CB . 30882 1
46 . 1 . 1 5 5 TYR N N 15 123.202 0.000 . . . . . A A 5 TYR N . 30882 1
47 . 1 . 1 6 6 GLY H H 1 7.119 0.000 . . . . . A A 6 GLY H . 30882 1
48 . 1 . 1 6 6 GLY HA2 H 1 3.906 0.000 . . . . . A A 6 GLY HA2 . 30882 1
49 . 1 . 1 6 6 GLY CA C 13 44.451 0.000 . . . . . A A 6 GLY CA . 30882 1
50 . 1 . 1 6 6 GLY N N 15 107.338 0.000 . . . . . A A 6 GLY N . 30882 1
51 . 1 . 1 7 7 PRO HA H 1 4.639 0.004 . . . . . A A 7 PRO HA . 30882 1
52 . 1 . 1 7 7 PRO HB2 H 1 2.239 0.002 . . . . . A A 7 PRO HB2 . 30882 1
53 . 1 . 1 7 7 PRO HB3 H 1 2.001 0.000 . . . . . A A 7 PRO HB3 . 30882 1
54 . 1 . 1 7 7 PRO HG2 H 1 2.056 0.002 . . . . . A A 7 PRO HG2 . 30882 1
55 . 1 . 1 7 7 PRO HG3 H 1 2.056 0.002 . . . . . A A 7 PRO HG3 . 30882 1
56 . 1 . 1 7 7 PRO HD2 H 1 3.575 0.015 . . . . . A A 7 PRO HD2 . 30882 1
57 . 1 . 1 7 7 PRO HD3 H 1 3.539 0.004 . . . . . A A 7 PRO HD3 . 30882 1
58 . 1 . 1 7 7 PRO CA C 13 62.245 0.000 . . . . . A A 7 PRO CA . 30882 1
59 . 1 . 1 7 7 PRO CB C 13 31.847 0.000 . . . . . A A 7 PRO CB . 30882 1
60 . 1 . 1 7 7 PRO CG C 13 26.844 0.000 . . . . . A A 7 PRO CG . 30882 1
61 . 1 . 1 7 7 PRO CD C 13 48.759 0.000 . . . . . A A 7 PRO CD . 30882 1
62 . 1 . 1 8 8 ASP H H 1 7.731 0.000 . . . . . A A 8 ASP H . 30882 1
63 . 1 . 1 8 8 ASP HA H 1 4.302 0.000 . . . . . A A 8 ASP HA . 30882 1
64 . 1 . 1 8 8 ASP HB2 H 1 2.990 0.005 . . . . . A A 8 ASP HB2 . 30882 1
65 . 1 . 1 8 8 ASP HB3 H 1 2.990 0.005 . . . . . A A 8 ASP HB3 . 30882 1
66 . 1 . 1 8 8 ASP CA C 13 63.669 0.000 . . . . . A A 8 ASP CA . 30882 1
67 . 1 . 1 8 8 ASP CB C 13 36.519 0.000 . . . . . A A 8 ASP CB . 30882 1
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save_