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 2425
_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 . 2425 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 13 13 MET H H 1 8.38 . . 1 . . . . . . . . 2425 1
2 . 1 1 13 13 MET HA H 1 4.46 . . 1 . . . . . . . . 2425 1
3 . 1 1 13 13 MET HB2 H 1 2.1 . . 2 . . . . . . . . 2425 1
4 . 1 1 13 13 MET HB3 H 1 2 . . 2 . . . . . . . . 2425 1
5 . 1 1 13 13 MET HG2 H 1 2.6 . . 2 . . . . . . . . 2425 1
6 . 1 1 13 13 MET HG3 H 1 2.5 . . 2 . . . . . . . . 2425 1
7 . 1 1 14 14 ASP H H 1 8.61 . . 1 . . . . . . . . 2425 1
8 . 1 1 14 14 ASP HA H 1 4.75 . . 1 . . . . . . . . 2425 1
9 . 1 1 14 14 ASP HB2 H 1 3.02 . . 2 . . . . . . . . 2425 1
10 . 1 1 14 14 ASP HB3 H 1 2.9 . . 2 . . . . . . . . 2425 1
11 . 1 1 15 15 SER H H 1 8.25 . . 1 . . . . . . . . 2425 1
12 . 1 1 15 15 SER HA H 1 4.48 . . 1 . . . . . . . . 2425 1
13 . 1 1 15 15 SER HB2 H 1 4 . . 2 . . . . . . . . 2425 1
14 . 1 1 15 15 SER HB3 H 1 3.9 . . 2 . . . . . . . . 2425 1
stop_
save_