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 2068
_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 . 2068 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 58 58 ASN H H 1 6.3 . . 1 . . . . . . . . 2068 1
2 . 1 1 83 83 ARG H H 1 8.22 . . 1 . . . . . . . . 2068 1
3 . 1 1 84 84 ASN H H 1 8.94 . . 1 . . . . . . . . 2068 1
4 . 1 1 85 85 SER HA H 1 4.55 . . 1 . . . . . . . . 2068 1
5 . 1 1 86 86 ASP HA H 1 5.71 . . 1 . . . . . . . . 2068 1
6 . 1 1 86 86 ASP HB2 H 1 3.43 . . 1 . . . . . . . . 2068 1
7 . 1 1 86 86 ASP HB3 H 1 3.43 . . 1 . . . . . . . . 2068 1
8 . 1 1 100 100 THR HA H 1 5.21 . . 1 . . . . . . . . 2068 1
9 . 1 1 101 101 ASP HA H 1 4.87 . . 1 . . . . . . . . 2068 1
10 . 1 1 102 102 HIS H H 1 8.69 . . 1 . . . . . . . . 2068 1
11 . 1 1 102 102 HIS HA H 1 3.21 . . 1 . . . . . . . . 2068 1
12 . 1 1 102 102 HIS HB2 H 1 1.4 . . 1 . . . . . . . . 2068 1
13 . 1 1 102 102 HIS HB3 H 1 1.4 . . 1 . . . . . . . . 2068 1
14 . 1 1 103 103 TYR HB2 H 1 3.51 . . 1 . . . . . . . . 2068 1
15 . 1 1 103 103 TYR HB3 H 1 3.51 . . 1 . . . . . . . . 2068 1
16 . 1 1 103 103 TYR HD1 H 1 6.95 . . 1 . . . . . . . . 2068 1
17 . 1 1 103 103 TYR HD2 H 1 6.95 . . 1 . . . . . . . . 2068 1
18 . 1 1 103 103 TYR HE1 H 1 6.75 . . 1 . . . . . . . . 2068 1
19 . 1 1 103 103 TYR HE2 H 1 6.75 . . 1 . . . . . . . . 2068 1
20 . 1 1 105 105 THR H H 1 9.78 . . 1 . . . . . . . . 2068 1
stop_
save_