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 422
_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 . 422 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 1 1 GLU HA H 1 3.78 . . 1 . . . . . . . . 422 1
2 . 1 1 1 1 GLU HB2 H 1 2.01 . . 2 . . . . . . . . 422 1
3 . 1 1 1 1 GLU HB3 H 1 1.96 . . 2 . . . . . . . . 422 1
4 . 1 1 1 1 GLU HG2 H 1 2.38 . . 1 . . . . . . . . 422 1
5 . 1 1 1 1 GLU HG3 H 1 2.38 . . 1 . . . . . . . . 422 1
6 . 1 1 2 2 CYS H H 1 8.95 . . 1 . . . . . . . . 422 1
7 . 1 1 2 2 CYS HA H 1 4.54 . . 1 . . . . . . . . 422 1
8 . 1 1 2 2 CYS HB2 H 1 3.77 . . 2 . . . . . . . . 422 1
9 . 1 1 2 2 CYS HB3 H 1 2.52 . . 2 . . . . . . . . 422 1
10 . 1 1 3 3 CYS H H 1 9.28 . . 1 . . . . . . . . 422 1
11 . 1 1 3 3 CYS HA H 1 4.49 . . 1 . . . . . . . . 422 1
12 . 1 1 3 3 CYS HB2 H 1 3.19 . . 2 . . . . . . . . 422 1
13 . 1 1 3 3 CYS HB3 H 1 2.82 . . 2 . . . . . . . . 422 1
14 . 1 1 4 4 ASN H H 1 7.13 . . 1 . . . . . . . . 422 1
15 . 1 1 4 4 ASN HA H 1 4.94 . . 1 . . . . . . . . 422 1
16 . 1 1 4 4 ASN HB2 H 1 2.71 . . 2 . . . . . . . . 422 1
17 . 1 1 4 4 ASN HB3 H 1 2.56 . . 2 . . . . . . . . 422 1
18 . 1 1 4 4 ASN HD21 H 1 8.11 . . 2 . . . . . . . . 422 1
19 . 1 1 4 4 ASN HD22 H 1 7.49 . . 2 . . . . . . . . 422 1
20 . 1 1 5 5 PRO HA H 1 4 . . 1 . . . . . . . . 422 1
21 . 1 1 5 5 PRO HB2 H 1 2.23 . . 2 . . . . . . . . 422 1
22 . 1 1 5 5 PRO HB3 H 1 1.78 . . 2 . . . . . . . . 422 1
23 . 1 1 5 5 PRO HG2 H 1 1.97 . . 2 . . . . . . . . 422 1
24 . 1 1 5 5 PRO HG3 H 1 1.88 . . 2 . . . . . . . . 422 1
25 . 1 1 5 5 PRO HD2 H 1 3.77 . . 2 . . . . . . . . 422 1
26 . 1 1 5 5 PRO HD3 H 1 3.68 . . 2 . . . . . . . . 422 1
27 . 1 1 6 6 ALA H H 1 8.79 . . 1 . . . . . . . . 422 1
28 . 1 1 6 6 ALA HA H 1 4.01 . . 1 . . . . . . . . 422 1
29 . 1 1 6 6 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 422 1
30 . 1 1 6 6 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 422 1
31 . 1 1 6 6 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 422 1
32 . 1 1 7 7 CYS H H 1 8.02 . . 1 . . . . . . . . 422 1
33 . 1 1 7 7 CYS HA H 1 4.05 . . 1 . . . . . . . . 422 1
34 . 1 1 7 7 CYS HB2 H 1 3.36 . . 2 . . . . . . . . 422 1
35 . 1 1 7 7 CYS HB3 H 1 2.75 . . 2 . . . . . . . . 422 1
36 . 1 1 8 8 GLY H H 1 7.71 . . 1 . . . . . . . . 422 1
37 . 1 1 8 8 GLY HA2 H 1 3.92 . . 2 . . . . . . . . 422 1
38 . 1 1 8 8 GLY HA3 H 1 3.54 . . 2 . . . . . . . . 422 1
39 . 1 1 9 9 ARG HA H 1 4.07 . . 1 . . . . . . . . 422 1
40 . 1 1 9 9 ARG HB2 H 1 1.66 . . 2 . . . . . . . . 422 1
41 . 1 1 9 9 ARG HB3 H 1 1.52 . . 2 . . . . . . . . 422 1
42 . 1 1 9 9 ARG HG2 H 1 1.46 . . 2 . . . . . . . . 422 1
43 . 1 1 9 9 ARG HG3 H 1 1.31 . . 2 . . . . . . . . 422 1
44 . 1 1 9 9 ARG HD2 H 1 3.08 . . 1 . . . . . . . . 422 1
45 . 1 1 9 9 ARG HD3 H 1 3.08 . . 1 . . . . . . . . 422 1
46 . 1 1 9 9 ARG HE H 1 7.79 . . 1 . . . . . . . . 422 1
47 . 1 1 10 10 HIS H H 1 8.1 . . 1 . . . . . . . . 422 1
48 . 1 1 10 10 HIS HA H 1 4.62 . . 1 . . . . . . . . 422 1
49 . 1 1 10 10 HIS HB2 H 1 3.3 . . 2 . . . . . . . . 422 1
50 . 1 1 10 10 HIS HB3 H 1 3.03 . . 2 . . . . . . . . 422 1
51 . 1 1 10 10 HIS HD1 H 1 7.26 . . 1 . . . . . . . . 422 1
52 . 1 1 10 10 HIS HD2 H 1 7.26 . . 1 . . . . . . . . 422 1
53 . 1 1 10 10 HIS HE1 H 1 8.95 . . 1 . . . . . . . . 422 1
54 . 1 1 10 10 HIS HE2 H 1 8.95 . . 1 . . . . . . . . 422 1
55 . 1 1 11 11 TYR HA H 1 4.25 . . 1 . . . . . . . . 422 1
56 . 1 1 11 11 TYR HB2 H 1 2.89 . . 2 . . . . . . . . 422 1
57 . 1 1 11 11 TYR HB3 H 1 2.79 . . 2 . . . . . . . . 422 1
58 . 1 1 11 11 TYR HD1 H 1 6.96 . . 1 . . . . . . . . 422 1
59 . 1 1 11 11 TYR HD2 H 1 6.96 . . 1 . . . . . . . . 422 1
60 . 1 1 11 11 TYR HE1 H 1 6.54 . . 1 . . . . . . . . 422 1
61 . 1 1 11 11 TYR HE2 H 1 6.54 . . 1 . . . . . . . . 422 1
62 . 1 1 11 11 TYR HH H 1 9.12 . . 1 . . . . . . . . 422 1
63 . 1 1 12 12 SER HA H 1 4.18 . . 1 . . . . . . . . 422 1
64 . 1 1 12 12 SER HB2 H 1 3.61 . . 2 . . . . . . . . 422 1
65 . 1 1 12 12 SER HB3 H 1 3.5 . . 2 . . . . . . . . 422 1
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