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 2228
_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 . 2228 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 ARG HA H 1 4.12 . . 1 . . . . . . . . 2228 1
2 . 1 1 1 1 ARG HB2 H 1 2.04 . . 1 . . . . . . . . 2228 1
3 . 1 1 1 1 ARG HB3 H 1 2.04 . . 1 . . . . . . . . 2228 1
4 . 1 1 1 1 ARG HG2 H 1 1.92 . . 1 . . . . . . . . 2228 1
5 . 1 1 1 1 ARG HG3 H 1 1.92 . . 1 . . . . . . . . 2228 1
6 . 1 1 1 1 ARG HD2 H 1 3.21 . . 2 . . . . . . . . 2228 1
7 . 1 1 1 1 ARG HD3 H 1 3.28 . . 2 . . . . . . . . 2228 1
8 . 1 1 1 1 ARG HE H 1 7.38 . . 1 . . . . . . . . 2228 1
9 . 1 1 2 2 VAL H H 1 8.93 . . 1 . . . . . . . . 2228 1
10 . 1 1 2 2 VAL HA H 1 4.1 . . 1 . . . . . . . . 2228 1
11 . 1 1 2 2 VAL HB H 1 2.04 . . 1 . . . . . . . . 2228 1
12 . 1 1 2 2 VAL HG11 H 1 .95 . . 2 . . . . . . . . 2228 1
13 . 1 1 2 2 VAL HG12 H 1 .95 . . 2 . . . . . . . . 2228 1
14 . 1 1 2 2 VAL HG13 H 1 .95 . . 2 . . . . . . . . 2228 1
15 . 1 1 2 2 VAL HG21 H 1 .92 . . 2 . . . . . . . . 2228 1
16 . 1 1 2 2 VAL HG22 H 1 .92 . . 2 . . . . . . . . 2228 1
17 . 1 1 2 2 VAL HG23 H 1 .92 . . 2 . . . . . . . . 2228 1
18 . 1 1 3 3 CYS H H 1 8.55 . . 1 . . . . . . . . 2228 1
19 . 1 1 3 3 CYS HA H 1 5.07 . . 1 . . . . . . . . 2228 1
20 . 1 1 3 3 CYS HB2 H 1 2.83 . . 1 . . . . . . . . 2228 1
21 . 1 1 3 3 CYS HB3 H 1 2.83 . . 1 . . . . . . . . 2228 1
22 . 1 1 4 4 PRO HA H 1 4.43 . . 1 . . . . . . . . 2228 1
23 . 1 1 4 4 PRO HB2 H 1 2.36 . . 2 . . . . . . . . 2228 1
24 . 1 1 4 4 PRO HB3 H 1 2.26 . . 2 . . . . . . . . 2228 1
25 . 1 1 4 4 PRO HG2 H 1 1.98 . . 2 . . . . . . . . 2228 1
26 . 1 1 4 4 PRO HG3 H 1 2.05 . . 2 . . . . . . . . 2228 1
27 . 1 1 4 4 PRO HD2 H 1 3.7 . . 2 . . . . . . . . 2228 1
28 . 1 1 4 4 PRO HD3 H 1 3.75 . . 2 . . . . . . . . 2228 1
29 . 1 1 5 5 ARG H H 1 7.9 . . 1 . . . . . . . . 2228 1
30 . 1 1 5 5 ARG HA H 1 4.18 . . 1 . . . . . . . . 2228 1
31 . 1 1 5 5 ARG HB2 H 1 1.87 . . 1 . . . . . . . . 2228 1
32 . 1 1 5 5 ARG HB3 H 1 1.87 . . 1 . . . . . . . . 2228 1
33 . 1 1 5 5 ARG HG2 H 1 1.68 . . 1 . . . . . . . . 2228 1
34 . 1 1 5 5 ARG HG3 H 1 1.68 . . 1 . . . . . . . . 2228 1
35 . 1 1 5 5 ARG HD2 H 1 3.23 . . 1 . . . . . . . . 2228 1
36 . 1 1 5 5 ARG HD3 H 1 3.23 . . 1 . . . . . . . . 2228 1
37 . 1 1 5 5 ARG HE H 1 7.21 . . 1 . . . . . . . . 2228 1
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