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 940
_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 . 940 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 15 15 ALA H H 1 8.33 . . 1 . . . . . . . . 940 1
2 . 1 1 15 15 ALA HA H 1 3.8 . . 1 . . . . . . . . 940 1
3 . 1 1 16 16 ALA H H 1 6.89 . . 1 . . . . . . . . 940 1
4 . 1 1 16 16 ALA HA H 1 4.3 . . 1 . . . . . . . . 940 1
5 . 1 1 18 18 GLU H H 1 9.71 . . 1 . . . . . . . . 940 1
6 . 1 1 18 18 GLU HA H 1 4.72 . . 1 . . . . . . . . 940 1
7 . 1 1 19 19 GLY H H 1 9 . . 1 . . . . . . . . 940 1
8 . 1 1 19 19 GLY HA2 H 1 3.95 . . 2 . . . . . . . . 940 1
9 . 1 1 19 19 GLY HA3 H 1 3.64 . . 2 . . . . . . . . 940 1
10 . 1 1 20 20 ASP H H 1 8.29 . . 1 . . . . . . . . 940 1
11 . 1 1 20 20 ASP HA H 1 4.69 . . 1 . . . . . . . . 940 1
12 . 1 1 23 23 GLN H H 1 7.23 . . 1 . . . . . . . . 940 1
13 . 1 1 23 23 GLN HA H 1 5.12 . . 1 . . . . . . . . 940 1
14 . 1 1 24 24 LEU H H 1 9.54 . . 1 . . . . . . . . 940 1
15 . 1 1 24 24 LEU HA H 1 5.48 . . 1 . . . . . . . . 940 1
16 . 1 1 25 25 SER H H 1 10.08 . . 1 . . . . . . . . 940 1
17 . 1 1 25 25 SER HA H 1 4.84 . . 1 . . . . . . . . 940 1
18 . 1 1 61 61 GLU H H 1 7.77 . . 1 . . . . . . . . 940 1
19 . 1 1 61 61 GLU HA H 1 5.13 . . 1 . . . . . . . . 940 1
20 . 1 1 62 62 VAL H H 1 10.33 . . 1 . . . . . . . . 940 1
21 . 1 1 62 62 VAL HA H 1 5.1 . . 1 . . . . . . . . 940 1
22 . 1 1 63 63 SER H H 1 9.55 . . 1 . . . . . . . . 940 1
23 . 1 1 63 63 SER HA H 1 4.88 . . 1 . . . . . . . . 940 1
24 . 1 1 64 64 PHE H H 1 9.6 . . 1 . . . . . . . . 940 1
25 . 1 1 64 64 PHE HA H 1 3.28 . . 1 . . . . . . . . 940 1
stop_
save_