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 2078
_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 $sample_one . 2078 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 6 6 CYS HA H 1 4.58 . . 1 . . . . . . . . 2078 1
2 . 1 1 6 6 CYS HB2 H 1 3.16 . . 2 . . . . . . . . 2078 1
3 . 1 1 6 6 CYS HB3 H 1 2.97 . . 2 . . . . . . . . 2078 1
4 . 1 1 11 11 ASP HA H 1 4.54 . . 1 . . . . . . . . 2078 1
5 . 1 1 11 11 ASP HB2 H 1 2.92 . . 1 . . . . . . . . 2078 1
6 . 1 1 11 11 ASP HB3 H 1 2.92 . . 1 . . . . . . . . 2078 1
7 . 1 1 12 12 GLY HA2 H 1 3.71 . . 2 . . . . . . . . 2078 1
8 . 1 1 12 12 GLY HA3 H 1 3.99 . . 2 . . . . . . . . 2078 1
9 . 1 1 13 13 LEU HA H 1 4.08 . . 1 . . . . . . . . 2078 1
10 . 1 1 13 13 LEU HB2 H 1 1.59 . . 2 . . . . . . . . 2078 1
11 . 1 1 13 13 LEU HB3 H 1 1.64 . . 2 . . . . . . . . 2078 1
12 . 1 1 13 13 LEU HG H 1 1.42 . . 1 . . . . . . . . 2078 1
13 . 1 1 13 13 LEU HD11 H 1 .81 . . 1 . . . . . . . . 2078 1
14 . 1 1 13 13 LEU HD12 H 1 .81 . . 1 . . . . . . . . 2078 1
15 . 1 1 13 13 LEU HD13 H 1 .81 . . 1 . . . . . . . . 2078 1
16 . 1 1 13 13 LEU HD21 H 1 .81 . . 1 . . . . . . . . 2078 1
17 . 1 1 13 13 LEU HD22 H 1 .81 . . 1 . . . . . . . . 2078 1
18 . 1 1 13 13 LEU HD23 H 1 .81 . . 1 . . . . . . . . 2078 1
19 . 1 1 14 14 CYS HA H 1 4.48 . . 1 . . . . . . . . 2078 1
20 . 1 1 14 14 CYS HB2 H 1 2.61 . . 2 . . . . . . . . 2078 1
21 . 1 1 14 14 CYS HB3 H 1 2.38 . . 2 . . . . . . . . 2078 1
22 . 1 1 15 15 LEU HA H 1 4.14 . . 1 . . . . . . . . 2078 1
23 . 1 1 15 15 LEU HB2 H 1 1.65 . . 1 . . . . . . . . 2078 1
24 . 1 1 15 15 LEU HB3 H 1 1.65 . . 1 . . . . . . . . 2078 1
25 . 1 1 15 15 LEU HG H 1 1.64 . . 1 . . . . . . . . 2078 1
26 . 1 1 15 15 LEU HD11 H 1 .67 . . 2 . . . . . . . . 2078 1
27 . 1 1 15 15 LEU HD12 H 1 .67 . . 2 . . . . . . . . 2078 1
28 . 1 1 15 15 LEU HD13 H 1 .67 . . 2 . . . . . . . . 2078 1
29 . 1 1 15 15 LEU HD21 H 1 .72 . . 2 . . . . . . . . 2078 1
30 . 1 1 15 15 LEU HD22 H 1 .72 . . 2 . . . . . . . . 2078 1
31 . 1 1 15 15 LEU HD23 H 1 .72 . . 2 . . . . . . . . 2078 1
32 . 1 1 20 20 CYS HA H 1 5.02 . . 1 . . . . . . . . 2078 1
33 . 1 1 20 20 CYS HB2 H 1 3.14 . . 2 . . . . . . . . 2078 1
34 . 1 1 20 20 CYS HB3 H 1 3.27 . . 2 . . . . . . . . 2078 1
35 . 1 1 22 22 TYR HA H 1 4.68 . . 1 . . . . . . . . 2078 1
36 . 1 1 22 22 TYR HB2 H 1 2.66 . . 1 . . . . . . . . 2078 1
37 . 1 1 22 22 TYR HB3 H 1 2.66 . . 1 . . . . . . . . 2078 1
38 . 1 1 22 22 TYR HD1 H 1 6.22 . . 1 . . . . . . . . 2078 1
39 . 1 1 22 22 TYR HD2 H 1 6.22 . . 1 . . . . . . . . 2078 1
40 . 1 1 22 22 TYR HE1 H 1 6.39 . . 1 . . . . . . . . 2078 1
41 . 1 1 22 22 TYR HE2 H 1 6.39 . . 1 . . . . . . . . 2078 1
42 . 1 1 29 29 TYR HA H 1 5.21 . . 1 . . . . . . . . 2078 1
43 . 1 1 29 29 TYR HB2 H 1 2.77 . . 2 . . . . . . . . 2078 1
44 . 1 1 29 29 TYR HB3 H 1 2.89 . . 2 . . . . . . . . 2078 1
45 . 1 1 29 29 TYR HD1 H 1 7.14 . . 1 . . . . . . . . 2078 1
46 . 1 1 29 29 TYR HD2 H 1 7.14 . . 1 . . . . . . . . 2078 1
47 . 1 1 29 29 TYR HE1 H 1 6.49 . . 1 . . . . . . . . 2078 1
48 . 1 1 29 29 TYR HE2 H 1 6.49 . . 1 . . . . . . . . 2078 1
49 . 1 1 30 30 ALA HA H 1 4.77 . . 1 . . . . . . . . 2078 1
50 . 1 1 30 30 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 2078 1
51 . 1 1 30 30 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 2078 1
52 . 1 1 30 30 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 2078 1
53 . 1 1 31 31 CYS HA H 1 5.26 . . 1 . . . . . . . . 2078 1
54 . 1 1 31 31 CYS HB2 H 1 2.57 . . 2 . . . . . . . . 2078 1
55 . 1 1 31 31 CYS HB3 H 1 2.79 . . 2 . . . . . . . . 2078 1
56 . 1 1 32 32 ASN HA H 1 5.05 . . 1 . . . . . . . . 2078 1
57 . 1 1 32 32 ASN HB2 H 1 2.78 . . 2 . . . . . . . . 2078 1
58 . 1 1 32 32 ASN HB3 H 1 2.98 . . 2 . . . . . . . . 2078 1
59 . 1 1 41 41 ARG HA H 1 4.99 . . 1 . . . . . . . . 2078 1
60 . 1 1 41 41 ARG HB2 H 1 1.25 . . 2 . . . . . . . . 2078 1
61 . 1 1 41 41 ARG HB3 H 1 2.51 . . 2 . . . . . . . . 2078 1
62 . 1 1 41 41 ARG HG2 H 1 1.49 . . 2 . . . . . . . . 2078 1
63 . 1 1 41 41 ARG HG3 H 1 1.89 . . 2 . . . . . . . . 2078 1
64 . 1 1 42 42 CYS HA H 1 4.04 . . 1 . . . . . . . . 2078 1
65 . 1 1 42 42 CYS HB2 H 1 3.52 . . 2 . . . . . . . . 2078 1
66 . 1 1 42 42 CYS HB3 H 1 3.16 . . 2 . . . . . . . . 2078 1
67 . 1 1 43 43 GLN HA H 1 4.13 . . 1 . . . . . . . . 2078 1
68 . 1 1 43 43 GLN HB2 H 1 1.54 . . 2 . . . . . . . . 2078 1
69 . 1 1 43 43 GLN HB3 H 1 1.83 . . 2 . . . . . . . . 2078 1
70 . 1 1 43 43 GLN HG2 H 1 1.05 . . 2 . . . . . . . . 2078 1
71 . 1 1 43 43 GLN HG3 H 1 1.95 . . 2 . . . . . . . . 2078 1
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save_