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 2050
_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 . 2050 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 SER H H 1 8.294 . . 1 . . . . . . . . 2050 1
2 . 1 1 1 1 SER HA H 1 4.597 . . 1 . . . . . . . . 2050 1
3 . 1 1 1 1 SER HB2 H 1 4.001 . . 2 . . . . . . . . 2050 1
4 . 1 1 1 1 SER HB3 H 1 4.197 . . 2 . . . . . . . . 2050 1
5 . 1 1 2 2 GLN H H 1 8.844 . . 1 . . . . . . . . 2050 1
6 . 1 1 2 2 GLN HB2 H 1 2.081 . . 2 . . . . . . . . 2050 1
7 . 1 1 2 2 GLN HB3 H 1 2.222 . . 2 . . . . . . . . 2050 1
8 . 1 1 2 2 GLN HG2 H 1 2.431 . . 1 . . . . . . . . 2050 1
9 . 1 1 2 2 GLN HG3 H 1 2.431 . . 1 . . . . . . . . 2050 1
10 . 1 1 2 2 GLN HE21 H 1 8.236 . . 2 . . . . . . . . 2050 1
11 . 1 1 2 2 GLN HE22 H 1 6.562 . . 2 . . . . . . . . 2050 1
12 . 1 1 3 3 ALA H H 1 8.481 . . 1 . . . . . . . . 2050 1
13 . 1 1 3 3 ALA HB1 H 1 1.471 . . 1 . . . . . . . . 2050 1
14 . 1 1 3 3 ALA HB2 H 1 1.471 . . 1 . . . . . . . . 2050 1
15 . 1 1 3 3 ALA HB3 H 1 1.471 . . 1 . . . . . . . . 2050 1
16 . 1 1 4 4 GLU H H 1 7.918 . . 1 . . . . . . . . 2050 1
17 . 1 1 4 4 GLU HB2 H 1 2.377 . . 1 . . . . . . . . 2050 1
18 . 1 1 4 4 GLU HB3 H 1 2.377 . . 1 . . . . . . . . 2050 1
19 . 1 1 5 5 PHE H H 1 8.786 . . 1 . . . . . . . . 2050 1
20 . 1 1 5 5 PHE HB2 H 1 3.035 . . 2 . . . . . . . . 2050 1
21 . 1 1 5 5 PHE HB3 H 1 3.38 . . 2 . . . . . . . . 2050 1
22 . 1 1 5 5 PHE HD1 H 1 7.195 . . 1 . . . . . . . . 2050 1
23 . 1 1 5 5 PHE HD2 H 1 7.195 . . 1 . . . . . . . . 2050 1
24 . 1 1 5 5 PHE HE1 H 1 6.488 . . 1 . . . . . . . . 2050 1
25 . 1 1 5 5 PHE HE2 H 1 6.488 . . 1 . . . . . . . . 2050 1
26 . 1 1 5 5 PHE HZ H 1 6.36 . . 1 . . . . . . . . 2050 1
27 . 1 1 6 6 ASP H H 1 9.013 . . 1 . . . . . . . . 2050 1
28 . 1 1 6 6 ASP HB2 H 1 2.673 . . 2 . . . . . . . . 2050 1
29 . 1 1 6 6 ASP HB3 H 1 2.779 . . 2 . . . . . . . . 2050 1
30 . 1 1 8 8 ALA H H 1 8.131 . . 1 . . . . . . . . 2050 1
31 . 1 1 8 8 ALA HB1 H 1 1.697 . . 1 . . . . . . . . 2050 1
32 . 1 1 8 8 ALA HB2 H 1 1.697 . . 1 . . . . . . . . 2050 1
33 . 1 1 8 8 ALA HB3 H 1 1.697 . . 1 . . . . . . . . 2050 1
34 . 1 1 9 9 ALA H H 1 8.477 . . 1 . . . . . . . . 2050 1
35 . 1 1 9 9 ALA HB1 H 1 1.219 . . 1 . . . . . . . . 2050 1
36 . 1 1 9 9 ALA HB2 H 1 1.219 . . 1 . . . . . . . . 2050 1
37 . 1 1 9 9 ALA HB3 H 1 1.219 . . 1 . . . . . . . . 2050 1
38 . 1 1 29 29 SER H H 1 8.503 . . 1 . . . . . . . . 2050 1
39 . 1 1 67 67 GLU H H 1 8.905 . . 1 . . . . . . . . 2050 1
40 . 1 1 70 70 MET H H 1 8.67 . . 1 . . . . . . . . 2050 1
41 . 1 1 70 70 MET HB2 H 1 2.191 . . 1 . . . . . . . . 2050 1
42 . 1 1 70 70 MET HB3 H 1 2.191 . . 1 . . . . . . . . 2050 1
43 . 1 1 70 70 MET HG2 H 1 2.473 . . 1 . . . . . . . . 2050 1
44 . 1 1 70 70 MET HG3 H 1 2.473 . . 1 . . . . . . . . 2050 1
45 . 1 1 71 71 LYS H H 1 7.914 . . 1 . . . . . . . . 2050 1
46 . 1 1 71 71 LYS HB2 H 1 2.059 . . 1 . . . . . . . . 2050 1
47 . 1 1 71 71 LYS HB3 H 1 2.059 . . 1 . . . . . . . . 2050 1
48 . 1 1 71 71 LYS HG2 H 1 1.61 . . 1 . . . . . . . . 2050 1
49 . 1 1 71 71 LYS HG3 H 1 1.61 . . 1 . . . . . . . . 2050 1
stop_
save_