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 2276
_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 . 2276 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 1 1 PCA H H 1 8.19 . . 1 . . . . . . . . 2276 1
2 . 1 1 1 1 PCA HA H 1 4.06 . . 1 . . . . . . . . 2276 1
3 . 1 1 2 2 GLN H H 1 7.71 . . 1 . . . . . . . . 2276 1
4 . 1 1 2 2 GLN HA H 1 4.07 . . 1 . . . . . . . . 2276 1
5 . 1 1 3 3 ARG H H 1 8.05 . . 1 . . . . . . . . 2276 1
6 . 1 1 3 3 ARG HA H 1 4.28 . . 1 . . . . . . . . 2276 1
7 . 1 1 4 4 LEU H H 1 7.96 . . 1 . . . . . . . . 2276 1
8 . 1 1 4 4 LEU HA H 1 4.32 . . 1 . . . . . . . . 2276 1
9 . 1 1 5 5 GLY H H 1 8.05 . . 1 . . . . . . . . 2276 1
10 . 1 1 5 5 GLY HA2 H 1 3.64 . . 1 . . . . . . . . 2276 1
11 . 1 1 5 5 GLY HA3 H 1 3.64 . . 1 . . . . . . . . 2276 1
12 . 1 1 6 6 ASN H H 1 8.12 . . 1 . . . . . . . . 2276 1
13 . 1 1 6 6 ASN HA H 1 4.55 . . 1 . . . . . . . . 2276 1
14 . 1 1 7 7 GLN H H 1 8.19 . . 1 . . . . . . . . 2276 1
15 . 1 1 7 7 GLN HA H 1 4.22 . . 1 . . . . . . . . 2276 1
16 . 1 1 8 8 TRP H H 1 8.09 . . 1 . . . . . . . . 2276 1
17 . 1 1 8 8 TRP HA H 1 4.47 . . 1 . . . . . . . . 2276 1
18 . 1 1 9 9 ALA H H 1 7.98 . . 1 . . . . . . . . 2276 1
19 . 1 1 9 9 ALA HA H 1 4.35 . . 1 . . . . . . . . 2276 1
20 . 1 1 10 10 VAL H H 1 7.69 . . 1 . . . . . . . . 2276 1
21 . 1 1 10 10 VAL HA H 1 4.12 . . 1 . . . . . . . . 2276 1
22 . 1 1 11 11 GLY H H 1 8.21 . . 1 . . . . . . . . 2276 1
23 . 1 1 11 11 GLY HA2 H 1 3.67 . . 1 . . . . . . . . 2276 1
24 . 1 1 11 11 GLY HA3 H 1 3.67 . . 1 . . . . . . . . 2276 1
25 . 1 1 12 12 DPN H H 1 8.21 . . 1 . . . . . . . . 2276 1
26 . 1 1 12 12 DPN HA H 1 4.52 . . 1 . . . . . . . . 2276 1
27 . 1 1 13 13 LEU H H 1 8.32 . . 1 . . . . . . . . 2276 1
28 . 1 1 13 13 LEU HA H 1 4.09 . . 1 . . . . . . . . 2276 1
29 . 1 1 14 14 NLW H H 1 7.71 . . 1 . . . . . . . . 2276 1
30 . 1 1 14 14 NLW HA H 1 4.15 . . 1 . . . . . . . . 2276 1
stop_
save_