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 1647
_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 . 1647 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 17 17 HIS HD1 H 1 9.96 . . 1 . . . . . . . . 1647 1
2 . 1 1 43 43 ARG HE H 1 8.7 . . 1 . . . . . . . . 1647 1
3 . 1 1 48 48 TYR HD1 H 1 7.13 . . 1 . . . . . . . . 1647 1
4 . 1 1 48 48 TYR HD2 H 1 7.13 . . 1 . . . . . . . . 1647 1
5 . 1 1 48 48 TYR HE1 H 1 6.98 . . 1 . . . . . . . . 1647 1
6 . 1 1 48 48 TYR HE2 H 1 6.98 . . 1 . . . . . . . . 1647 1
7 . 1 1 53 53 TYR HD1 H 1 7.33 . . 1 . . . . . . . . 1647 1
8 . 1 1 53 53 TYR HD2 H 1 7.33 . . 1 . . . . . . . . 1647 1
9 . 1 1 53 53 TYR HE1 H 1 7.93 . . 1 . . . . . . . . 1647 1
10 . 1 1 53 53 TYR HE2 H 1 7.93 . . 1 . . . . . . . . 1647 1
11 . 1 1 53 53 TYR HH H 1 9.68 . . 1 . . . . . . . . 1647 1
12 . 1 1 67 67 TRP NE1 N 15 128.81 . . 1 . . . . . . . . 1647 1
13 . 1 1 67 67 TRP HE1 H 1 10.88 . . 1 . . . . . . . . 1647 1
14 . 1 1 96 96 MET HG2 H 1 1.49 . . 2 . . . . . . . . 1647 1
15 . 1 1 96 96 MET HG3 H 1 3.59 . . 2 . . . . . . . . 1647 1
16 . 1 1 96 96 MET HE1 H 1 -2.88 . . 1 . . . . . . . . 1647 1
17 . 1 1 96 96 MET HE2 H 1 -2.88 . . 1 . . . . . . . . 1647 1
18 . 1 1 96 96 MET HE3 H 1 -2.88 . . 1 . . . . . . . . 1647 1
stop_
save_