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 1866
_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 . 1866 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 3 3 PRO HA H 1 3.78 . . 1 . . . . . . . . 1866 1
2 . 1 1 3 3 PRO HB2 H 1 1.38 . . 2 . . . . . . . . 1866 1
3 . 1 1 3 3 PRO HB3 H 1 .81 . . 2 . . . . . . . . 1866 1
4 . 1 1 3 3 PRO HG2 H 1 1.95 . . 2 . . . . . . . . 1866 1
5 . 1 1 3 3 PRO HG3 H 1 1.65 . . 2 . . . . . . . . 1866 1
6 . 1 1 3 3 PRO HD2 H 1 3.63 . . 2 . . . . . . . . 1866 1
7 . 1 1 3 3 PRO HD3 H 1 3.88 . . 2 . . . . . . . . 1866 1
8 . 1 1 25 25 PRO HA H 1 3.52 . . 1 . . . . . . . . 1866 1
9 . 1 1 25 25 PRO HB2 H 1 .77 . . 2 . . . . . . . . 1866 1
10 . 1 1 25 25 PRO HB3 H 1 .5 . . 2 . . . . . . . . 1866 1
11 . 1 1 25 25 PRO HG2 H 1 .3 . . 2 . . . . . . . . 1866 1
12 . 1 1 25 25 PRO HG3 H 1 .13 . . 2 . . . . . . . . 1866 1
13 . 1 1 25 25 PRO HD2 H 1 2.08 . . 2 . . . . . . . . 1866 1
14 . 1 1 25 25 PRO HD3 H 1 2.85 . . 2 . . . . . . . . 1866 1
15 . 1 1 58 58 PRO HA H 1 4.77 . . 1 . . . . . . . . 1866 1
16 . 1 1 58 58 PRO HB2 H 1 2.25 . . 1 . . . . . . . . 1866 1
17 . 1 1 58 58 PRO HB3 H 1 2.25 . . 1 . . . . . . . . 1866 1
18 . 1 1 58 58 PRO HG2 H 1 2.29 . . 2 . . . . . . . . 1866 1
19 . 1 1 58 58 PRO HG3 H 1 2.05 . . 2 . . . . . . . . 1866 1
20 . 1 1 58 58 PRO HD2 H 1 3.7 . . 2 . . . . . . . . 1866 1
21 . 1 1 58 58 PRO HD3 H 1 3.93 . . 2 . . . . . . . . 1866 1
22 . 1 1 60 60 PRO HA H 1 4.86 . . 1 . . . . . . . . 1866 1
23 . 1 1 60 60 PRO HB2 H 1 1.53 . . 2 . . . . . . . . 1866 1
24 . 1 1 60 60 PRO HB3 H 1 1.99 . . 2 . . . . . . . . 1866 1
25 . 1 1 60 60 PRO HG2 H 1 2.09 . . 2 . . . . . . . . 1866 1
26 . 1 1 60 60 PRO HG3 H 1 2.01 . . 2 . . . . . . . . 1866 1
27 . 1 1 60 60 PRO HD2 H 1 3.9 . . 2 . . . . . . . . 1866 1
28 . 1 1 60 60 PRO HD3 H 1 4.13 . . 2 . . . . . . . . 1866 1
29 . 1 1 62 62 PRO HA H 1 4.22 . . 1 . . . . . . . . 1866 1
30 . 1 1 62 62 PRO HB2 H 1 2.18 . . 2 . . . . . . . . 1866 1
31 . 1 1 62 62 PRO HB3 H 1 1.55 . . 2 . . . . . . . . 1866 1
32 . 1 1 62 62 PRO HG2 H 1 1.8 . . 2 . . . . . . . . 1866 1
33 . 1 1 62 62 PRO HG3 H 1 1.67 . . 2 . . . . . . . . 1866 1
34 . 1 1 62 62 PRO HD2 H 1 2.97 . . 2 . . . . . . . . 1866 1
35 . 1 1 62 62 PRO HD3 H 1 3.78 . . 2 . . . . . . . . 1866 1
36 . 1 1 63 63 PRO HA H 1 3.23 . . 1 . . . . . . . . 1866 1
37 . 1 1 63 63 PRO HB2 H 1 2.05 . . 2 . . . . . . . . 1866 1
38 . 1 1 63 63 PRO HB3 H 1 1.52 . . 2 . . . . . . . . 1866 1
39 . 1 1 63 63 PRO HG2 H 1 1.75 . . 2 . . . . . . . . 1866 1
40 . 1 1 63 63 PRO HG3 H 1 1.63 . . 2 . . . . . . . . 1866 1
41 . 1 1 63 63 PRO HD2 H 1 3.22 . . 2 . . . . . . . . 1866 1
42 . 1 1 63 63 PRO HD3 H 1 3.28 . . 2 . . . . . . . . 1866 1
stop_
save_