Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"
save_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one'
_Assigned_chem_shift_list.Entry_ID 1520
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_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 unknown 1 $sample_one . 1520 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 2 2 GLN HA H 1 4.93 . . 1 . . . . . . . . 1520 1
2 . 1 1 2 2 GLN HB2 H 1 1.64 . . 2 . . . . . . . . 1520 1
3 . 1 1 2 2 GLN HB3 H 1 1.8 . . 2 . . . . . . . . 1520 1
4 . 1 1 2 2 GLN HG2 H 1 2.18 . . 1 . . . . . . . . 1520 1
5 . 1 1 2 2 GLN HG3 H 1 2.18 . . 1 . . . . . . . . 1520 1
6 . 1 1 3 3 ILE H H 1 8.54 . . 1 . . . . . . . . 1520 1
7 . 1 1 3 3 ILE HA H 1 4.37 . . 1 . . . . . . . . 1520 1
8 . 1 1 3 3 ILE HB H 1 1.73 . . 1 . . . . . . . . 1520 1
9 . 1 1 4 4 PHE H H 1 8.42 . . 1 . . . . . . . . 1520 1
10 . 1 1 4 4 PHE HA H 1 5.38 . . 1 . . . . . . . . 1520 1
11 . 1 1 4 4 PHE HB2 H 1 2.85 . . 1 . . . . . . . . 1520 1
12 . 1 1 4 4 PHE HB3 H 1 2.85 . . 1 . . . . . . . . 1520 1
13 . 1 1 5 5 VAL H H 1 8.89 . . 1 . . . . . . . . 1520 1
14 . 1 1 5 5 VAL HA H 1 4.41 . . 1 . . . . . . . . 1520 1
15 . 1 1 5 5 VAL HB H 1 1.98 . . 1 . . . . . . . . 1520 1
16 . 1 1 5 5 VAL HG11 H 1 .83 . . 1 . . . . . . . . 1520 1
17 . 1 1 5 5 VAL HG12 H 1 .83 . . 1 . . . . . . . . 1520 1
18 . 1 1 5 5 VAL HG13 H 1 .83 . . 1 . . . . . . . . 1520 1
19 . 1 1 5 5 VAL HG21 H 1 .83 . . 1 . . . . . . . . 1520 1
20 . 1 1 5 5 VAL HG22 H 1 .83 . . 1 . . . . . . . . 1520 1
21 . 1 1 5 5 VAL HG23 H 1 .83 . . 1 . . . . . . . . 1520 1
22 . 1 1 6 6 LYS H H 1 8.46 . . 1 . . . . . . . . 1520 1
23 . 1 1 6 6 LYS HA H 1 5.14 . . 1 . . . . . . . . 1520 1
24 . 1 1 6 6 LYS HB2 H 1 1.42 . . 2 . . . . . . . . 1520 1
25 . 1 1 6 6 LYS HB3 H 1 1.66 . . 2 . . . . . . . . 1520 1
26 . 1 1 7 7 THR H H 1 8.65 . . 1 . . . . . . . . 1520 1
27 . 1 1 7 7 THR HA H 1 4.61 . . 1 . . . . . . . . 1520 1
28 . 1 1 7 7 THR HB H 1 .92 . . 1 . . . . . . . . 1520 1
29 . 1 1 12 12 THR HA H 1 4.81 . . 1 . . . . . . . . 1520 1
30 . 1 1 12 12 THR HB H 1 3.82 . . 1 . . . . . . . . 1520 1
31 . 1 1 13 13 ILE H H 1 9.09 . . 1 . . . . . . . . 1520 1
32 . 1 1 13 13 ILE HA H 1 4.61 . . 1 . . . . . . . . 1520 1
33 . 1 1 13 13 ILE HB H 1 1.84 . . 1 . . . . . . . . 1520 1
34 . 1 1 14 14 THR HA H 1 4.83 . . 1 . . . . . . . . 1520 1
35 . 1 1 14 14 THR HB H 1 3.83 . . 1 . . . . . . . . 1520 1
36 . 1 1 15 15 LEU H H 1 8.72 . . 1 . . . . . . . . 1520 1
37 . 1 1 15 15 LEU HA H 1 4.61 . . 1 . . . . . . . . 1520 1
38 . 1 1 15 15 LEU HB2 H 1 1.4 . . 1 . . . . . . . . 1520 1
39 . 1 1 15 15 LEU HB3 H 1 1.4 . . 1 . . . . . . . . 1520 1
40 . 1 1 16 16 GLU HA H 1 3.95 . . 1 . . . . . . . . 1520 1
41 . 1 1 16 16 GLU HB2 H 1 1.6 . . 2 . . . . . . . . 1520 1
42 . 1 1 16 16 GLU HB3 H 1 1.82 . . 2 . . . . . . . . 1520 1
43 . 1 1 17 17 VAL H H 1 8.42 . . 1 . . . . . . . . 1520 1
44 . 1 1 17 17 VAL HA H 1 4.32 . . 1 . . . . . . . . 1520 1
45 . 1 1 17 17 VAL HB H 1 1.73 . . 1 . . . . . . . . 1520 1
46 . 1 1 17 17 VAL HG11 H 1 .76 . . 1 . . . . . . . . 1520 1
47 . 1 1 17 17 VAL HG12 H 1 .76 . . 1 . . . . . . . . 1520 1
48 . 1 1 17 17 VAL HG13 H 1 .76 . . 1 . . . . . . . . 1520 1
49 . 1 1 17 17 VAL HG21 H 1 .76 . . 1 . . . . . . . . 1520 1
50 . 1 1 17 17 VAL HG22 H 1 .76 . . 1 . . . . . . . . 1520 1
51 . 1 1 17 17 VAL HG23 H 1 .76 . . 1 . . . . . . . . 1520 1
52 . 1 1 26 26 VAL H H 1 8.21 . . 1 . . . . . . . . 1520 1
53 . 1 1 26 26 VAL HA H 1 3.69 . . 1 . . . . . . . . 1520 1
54 . 1 1 26 26 VAL HB H 1 2.18 . . 1 . . . . . . . . 1520 1
55 . 1 1 26 26 VAL HG11 H 1 .92 . . 2 . . . . . . . . 1520 1
56 . 1 1 26 26 VAL HG12 H 1 .92 . . 2 . . . . . . . . 1520 1
57 . 1 1 26 26 VAL HG13 H 1 .92 . . 2 . . . . . . . . 1520 1
58 . 1 1 26 26 VAL HG21 H 1 1.05 . . 2 . . . . . . . . 1520 1
59 . 1 1 26 26 VAL HG22 H 1 1.05 . . 2 . . . . . . . . 1520 1
60 . 1 1 26 26 VAL HG23 H 1 1.05 . . 2 . . . . . . . . 1520 1
61 . 1 1 34 34 GLU H H 1 8.04 . . 1 . . . . . . . . 1520 1
62 . 1 1 34 34 GLU HA H 1 3.72 . . 1 . . . . . . . . 1520 1
63 . 1 1 34 34 GLU HB2 H 1 1.65 . . 2 . . . . . . . . 1520 1
64 . 1 1 34 34 GLU HB3 H 1 1.84 . . 2 . . . . . . . . 1520 1
65 . 1 1 34 34 GLU HG2 H 1 2.12 . . 1 . . . . . . . . 1520 1
66 . 1 1 34 34 GLU HG3 H 1 2.12 . . 1 . . . . . . . . 1520 1
67 . 1 1 66 66 THR HA H 1 4.38 . . 1 . . . . . . . . 1520 1
68 . 1 1 68 68 HIS HA H 1 4.73 . . 1 . . . . . . . . 1520 1
69 . 1 1 68 68 HIS HB2 H 1 2.93 . . 1 . . . . . . . . 1520 1
70 . 1 1 68 68 HIS HB3 H 1 2.93 . . 1 . . . . . . . . 1520 1
71 . 1 1 70 70 VAL H H 1 7.92 . . 1 . . . . . . . . 1520 1
72 . 1 1 70 70 VAL HA H 1 4.15 . . 1 . . . . . . . . 1520 1
73 . 1 1 70 70 VAL HB H 1 1.92 . . 1 . . . . . . . . 1520 1
74 . 1 1 70 70 VAL HG11 H 1 .83 . . 1 . . . . . . . . 1520 1
75 . 1 1 70 70 VAL HG12 H 1 .83 . . 1 . . . . . . . . 1520 1
76 . 1 1 70 70 VAL HG13 H 1 .83 . . 1 . . . . . . . . 1520 1
77 . 1 1 70 70 VAL HG21 H 1 .83 . . 1 . . . . . . . . 1520 1
78 . 1 1 70 70 VAL HG22 H 1 .83 . . 1 . . . . . . . . 1520 1
79 . 1 1 70 70 VAL HG23 H 1 .83 . . 1 . . . . . . . . 1520 1
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save_