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 2114
_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 . 2114 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 20 20 LEU N N 15 120.5 0.03 . 1 . . . . . . . . 2114 1
2 . 1 1 25 25 LEU N N 15 127.3 0.03 . 1 . . . . . . . . 2114 1
3 . 1 1 26 26 LEU N N 15 122.4 0.03 . 1 . . . . . . . . 2114 1
4 . 1 1 32 32 ASN HD21 H 1 6.78 0.03 . 1 . . . . . . . . 2114 1
5 . 1 1 32 32 ASN HD22 H 1 6.78 0.03 . 1 . . . . . . . . 2114 1
6 . 1 1 34 34 LEU N N 15 120.9 0.03 . 1 . . . . . . . . 2114 1
7 . 1 1 36 36 LEU N N 15 122.4 0.03 . 1 . . . . . . . . 2114 1
8 . 1 1 38 38 LEU N N 15 122.6 0.03 . 1 . . . . . . . . 2114 1
9 . 1 1 39 39 LEU N N 15 123.7 0.03 . 1 . . . . . . . . 2114 1
10 . 1 1 41 41 LEU N N 15 122.4 0.03 . 1 . . . . . . . . 2114 1
11 . 1 1 43 43 LEU N N 15 120.8 0.03 . 1 . . . . . . . . 2114 1
12 . 1 1 51 51 LEU N N 15 122.4 0.03 . 1 . . . . . . . . 2114 1
13 . 1 1 61 61 LEU N N 15 127 0.03 . 1 . . . . . . . . 2114 1
14 . 1 1 62 62 LEU N N 15 122.7 0.03 . 1 . . . . . . . . 2114 1
15 . 1 1 66 66 MET H H 1 8.51 0.03 . 1 . . . . . . . . 2114 1
16 . 1 1 71 71 LEU N N 15 124.4 0.03 . 1 . . . . . . . . 2114 1
17 . 1 1 75 75 LEU N N 15 118.7 0.03 . 1 . . . . . . . . 2114 1
18 . 1 1 89 89 LEU N N 15 127 0.03 . 1 . . . . . . . . 2114 1
19 . 1 1 96 96 LEU N N 15 120.4 0.03 . 1 . . . . . . . . 2114 1
20 . 1 1 100 100 LEU N N 15 120.4 0.03 . 1 . . . . . . . . 2114 1
21 . 1 1 104 104 LEU N N 15 120.4 0.03 . 1 . . . . . . . . 2114 1
22 . 1 1 105 105 LEU N N 15 118.3 0.03 . 1 . . . . . . . . 2114 1
stop_
save_