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 1744
_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 . 1744 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 2 2 GLU H H 1 8.82 . . 1 . . . . . . . . 1744 1
2 . 1 1 2 2 GLU HA H 1 4.49 . . 1 . . . . . . . . 1744 1
3 . 1 1 2 2 GLU N N 15 122.5 . . 1 . . . . . . . . 1744 1
4 . 1 1 15 15 GLY HA2 H 1 4.08 . . 2 . . . . . . . . 1744 1
5 . 1 1 15 15 GLY HA3 H 1 4.68 . . 2 . . . . . . . . 1744 1
6 . 1 1 16 16 GLN H H 1 9.34 . . 1 . . . . . . . . 1744 1
7 . 1 1 16 16 GLN HA H 1 4.68 . . 1 . . . . . . . . 1744 1
8 . 1 1 16 16 GLN HB2 H 1 2.14 . . 2 . . . . . . . . 1744 1
9 . 1 1 16 16 GLN HB3 H 1 2.17 . . 2 . . . . . . . . 1744 1
10 . 1 1 16 16 GLN N N 15 121.5 . . 1 . . . . . . . . 1744 1
11 . 1 1 27 27 GLN H H 1 9.28 . . 1 . . . . . . . . 1744 1
12 . 1 1 27 27 GLN N N 15 121.1 . . 1 . . . . . . . . 1744 1
13 . 1 1 46 46 ALA H H 1 8.98 . . 1 . . . . . . . . 1744 1
14 . 1 1 46 46 ALA N N 15 122.6 . . 1 . . . . . . . . 1744 1
15 . 1 1 48 48 GLY HA2 H 1 3.54 . . 2 . . . . . . . . 1744 1
16 . 1 1 48 48 GLY HA3 H 1 4.32 . . 2 . . . . . . . . 1744 1
17 . 1 1 60 60 SER H H 1 8.45 . . 1 . . . . . . . . 1744 1
18 . 1 1 60 60 SER HA H 1 4.35 . . 1 . . . . . . . . 1744 1
19 . 1 1 60 60 SER HB2 H 1 3.8 . . 1 . . . . . . . . 1744 1
20 . 1 1 60 60 SER HB3 H 1 3.8 . . 1 . . . . . . . . 1744 1
21 . 1 1 60 60 SER N N 15 112 . . 1 . . . . . . . . 1744 1
22 . 1 1 61 61 ASN H H 1 8.22 . . 1 . . . . . . . . 1744 1
23 . 1 1 61 61 ASN HA H 1 4.38 . . 1 . . . . . . . . 1744 1
24 . 1 1 61 61 ASN HB2 H 1 2.81 . . 1 . . . . . . . . 1744 1
25 . 1 1 61 61 ASN HB3 H 1 2.81 . . 1 . . . . . . . . 1744 1
26 . 1 1 61 61 ASN N N 15 117.8 . . 1 . . . . . . . . 1744 1
27 . 1 1 62 62 LYS HA H 1 4.28 . . 1 . . . . . . . . 1744 1
28 . 1 1 63 63 LYS H H 1 8.48 . . 1 . . . . . . . . 1744 1
29 . 1 1 63 63 LYS HA H 1 4.4 . . 1 . . . . . . . . 1744 1
30 . 1 1 63 63 LYS N N 15 121.4 . . 1 . . . . . . . . 1744 1
stop_
save_