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 1476
_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 . 1476 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 8 8 TYR HD1 H 1 6.499 . . 1 . . . . . . . . 1476 1
2 . 1 1 8 8 TYR HD2 H 1 6.499 . . 1 . . . . . . . . 1476 1
3 . 1 1 8 8 TYR HE1 H 1 6.974 . . 1 . . . . . . . . 1476 1
4 . 1 1 8 8 TYR HE2 H 1 6.974 . . 1 . . . . . . . . 1476 1
5 . 1 1 9 9 PHE HD1 H 1 7.26 . . 1 . . . . . . . . 1476 1
6 . 1 1 9 9 PHE HD2 H 1 7.26 . . 1 . . . . . . . . 1476 1
7 . 1 1 9 9 PHE HE1 H 1 7.394 . . 1 . . . . . . . . 1476 1
8 . 1 1 9 9 PHE HE2 H 1 7.394 . . 1 . . . . . . . . 1476 1
9 . 1 1 9 9 PHE HZ H 1 7.313 . . 1 . . . . . . . . 1476 1
10 . 1 1 19 19 HIS HD2 H 1 7.581 . . 1 . . . . . . . . 1476 1
11 . 1 1 19 19 HIS HE1 H 1 7.851 . . 1 . . . . . . . . 1476 1
12 . 1 1 31 31 TRP HD1 H 1 7.485 . . 1 . . . . . . . . 1476 1
13 . 1 1 31 31 TRP HE3 H 1 7.79 . . 1 . . . . . . . . 1476 1
14 . 1 1 31 31 TRP HZ2 H 1 7.67 . . 1 . . . . . . . . 1476 1
15 . 1 1 31 31 TRP HZ3 H 1 6.949 . . 1 . . . . . . . . 1476 1
16 . 1 1 31 31 TRP HH2 H 1 5.598 . . 1 . . . . . . . . 1476 1
17 . 1 1 41 41 TYR HD1 H 1 7.15 . . 1 . . . . . . . . 1476 1
18 . 1 1 41 41 TYR HD2 H 1 7.15 . . 1 . . . . . . . . 1476 1
19 . 1 1 41 41 TYR HE1 H 1 6.854 . . 1 . . . . . . . . 1476 1
20 . 1 1 41 41 TYR HE2 H 1 6.854 . . 1 . . . . . . . . 1476 1
21 . 1 1 56 56 HIS HD2 H 1 6.842 . . 1 . . . . . . . . 1476 1
22 . 1 1 56 56 HIS HE1 H 1 7.631 . . 1 . . . . . . . . 1476 1
23 . 1 1 58 58 TYR HD1 H 1 6.31 . . 1 . . . . . . . . 1476 1
24 . 1 1 58 58 TYR HD2 H 1 6.31 . . 1 . . . . . . . . 1476 1
25 . 1 1 58 58 TYR HE1 H 1 6.737 . . 1 . . . . . . . . 1476 1
26 . 1 1 58 58 TYR HE2 H 1 6.737 . . 1 . . . . . . . . 1476 1
27 . 1 1 69 69 TRP HD1 H 1 7.676 . . 1 . . . . . . . . 1476 1
28 . 1 1 69 69 TRP HE3 H 1 7.249 . . 1 . . . . . . . . 1476 1
29 . 1 1 69 69 TRP HZ2 H 1 6.728 . . 1 . . . . . . . . 1476 1
30 . 1 1 69 69 TRP HZ3 H 1 5.564 . . 1 . . . . . . . . 1476 1
31 . 1 1 69 69 TRP HH2 H 1 7.01 . . 1 . . . . . . . . 1476 1
32 . 1 1 71 71 HIS HD2 H 1 6.781 . . 1 . . . . . . . . 1476 1
33 . 1 1 71 71 HIS HE1 H 1 8.18 . . 1 . . . . . . . . 1476 1
34 . 1 1 80 80 TRP HD1 H 1 6.981 . . 1 . . . . . . . . 1476 1
35 . 1 1 80 80 TRP HE3 H 1 6.815 . . 1 . . . . . . . . 1476 1
36 . 1 1 80 80 TRP HZ2 H 1 7.15 . . 1 . . . . . . . . 1476 1
37 . 1 1 80 80 TRP HZ3 H 1 5.56 . . 1 . . . . . . . . 1476 1
38 . 1 1 80 80 TRP HH2 H 1 6.781 . . 1 . . . . . . . . 1476 1
39 . 1 1 82 82 TYR HD1 H 1 7.368 . . 1 . . . . . . . . 1476 1
40 . 1 1 82 82 TYR HD2 H 1 7.368 . . 1 . . . . . . . . 1476 1
41 . 1 1 82 82 TYR HE1 H 1 6.949 . . 1 . . . . . . . . 1476 1
42 . 1 1 82 82 TYR HE2 H 1 6.949 . . 1 . . . . . . . . 1476 1
stop_
save_