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 3471
_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 . 3471 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 51 51 ASP H H 1 7.5 . . 1 . . . . . . . . 3471 1
2 . 1 1 51 51 ASP HA H 1 4.51 . . 1 . . . . . . . . 3471 1
3 . 1 1 51 51 ASP HB2 H 1 2.44 . . 2 . . . . . . . . 3471 1
4 . 1 1 51 51 ASP HB3 H 1 1.4 . . 2 . . . . . . . . 3471 1
5 . 1 1 53 53 ASP H H 1 8.17 . . 1 . . . . . . . . 3471 1
6 . 1 1 53 53 ASP HA H 1 4.62 . . 1 . . . . . . . . 3471 1
7 . 1 1 53 53 ASP HB2 H 1 3.11 . . 2 . . . . . . . . 3471 1
8 . 1 1 53 53 ASP HB3 H 1 2.7 . . 2 . . . . . . . . 3471 1
9 . 1 1 55 55 SER H H 1 8.88 . . 1 . . . . . . . . 3471 1
10 . 1 1 55 55 SER HA H 1 4.35 . . 1 . . . . . . . . 3471 1
11 . 1 1 55 55 SER HB2 H 1 4.3 . . 1 . . . . . . . . 3471 1
12 . 1 1 55 55 SER HB3 H 1 4.3 . . 1 . . . . . . . . 3471 1
13 . 1 1 55 55 SER HG H 1 8.97 . . 1 . . . . . . . . 3471 1
14 . 1 1 57 57 PHE H H 1 8 . . 1 . . . . . . . . 3471 1
15 . 1 1 57 57 PHE HA H 1 5.26 . . 1 . . . . . . . . 3471 1
16 . 1 1 57 57 PHE HB2 H 1 2.86 . . 2 . . . . . . . . 3471 1
17 . 1 1 57 57 PHE HB3 H 1 2.47 . . 2 . . . . . . . . 3471 1
18 . 1 1 59 59 GLU H H 1 7.77 . . 1 . . . . . . . . 3471 1
19 . 1 1 59 59 GLU HA H 1 4.55 . . 1 . . . . . . . . 3471 1
20 . 1 1 59 59 GLU HB2 H 1 2.29 . . 2 . . . . . . . . 3471 1
21 . 1 1 59 59 GLU HB3 H 1 2.05 . . 2 . . . . . . . . 3471 1
22 . 1 1 59 59 GLU HG2 H 1 2.64 . . 2 . . . . . . . . 3471 1
23 . 1 1 59 59 GLU HG3 H 1 1.9 . . 2 . . . . . . . . 3471 1
24 . 1 1 62 62 GLU H H 1 6.9 . . 1 . . . . . . . . 3471 1
25 . 1 1 62 62 GLU HA H 1 4.15 . . 1 . . . . . . . . 3471 1
26 . 1 1 62 62 GLU HB2 H 1 2.58 . . 1 . . . . . . . . 3471 1
27 . 1 1 62 62 GLU HB3 H 1 2.58 . . 1 . . . . . . . . 3471 1
28 . 1 1 62 62 GLU HG2 H 1 2.47 . . 2 . . . . . . . . 3471 1
29 . 1 1 62 62 GLU HG3 H 1 2.01 . . 2 . . . . . . . . 3471 1
30 . 1 1 90 90 ASP H H 1 8.49 . . 1 . . . . . . . . 3471 1
31 . 1 1 90 90 ASP HA H 1 4.71 . . 1 . . . . . . . . 3471 1
32 . 1 1 90 90 ASP HB2 H 1 2.9 . . 2 . . . . . . . . 3471 1
33 . 1 1 90 90 ASP HB3 H 1 2.32 . . 2 . . . . . . . . 3471 1
34 . 1 1 92 92 ASP H H 1 8.59 . . 1 . . . . . . . . 3471 1
35 . 1 1 92 92 ASP HA H 1 4.67 . . 1 . . . . . . . . 3471 1
36 . 1 1 92 92 ASP HB2 H 1 3.12 . . 2 . . . . . . . . 3471 1
37 . 1 1 92 92 ASP HB3 H 1 2.65 . . 2 . . . . . . . . 3471 1
38 . 1 1 94 94 ASP H H 1 8.4 . . 1 . . . . . . . . 3471 1
39 . 1 1 94 94 ASP HA H 1 4.49 . . 1 . . . . . . . . 3471 1
40 . 1 1 94 94 ASP HB2 H 1 2.9 . . 2 . . . . . . . . 3471 1
41 . 1 1 94 94 ASP HB3 H 1 2.48 . . 2 . . . . . . . . 3471 1
42 . 1 1 96 96 LYS H H 1 8.01 . . 1 . . . . . . . . 3471 1
43 . 1 1 96 96 LYS HA H 1 4.82 . . 1 . . . . . . . . 3471 1
44 . 1 1 96 96 LYS HB2 H 1 1.67 . . 2 . . . . . . . . 3471 1
45 . 1 1 96 96 LYS HB3 H 1 1.54 . . 2 . . . . . . . . 3471 1
46 . 1 1 101 101 GLU H H 1 7.72 . . 1 . . . . . . . . 3471 1
47 . 1 1 101 101 GLU HA H 1 4.12 . . 1 . . . . . . . . 3471 1
48 . 1 1 101 101 GLU HB2 H 1 2.7 . . 1 . . . . . . . . 3471 1
49 . 1 1 101 101 GLU HB3 H 1 2.7 . . 1 . . . . . . . . 3471 1
50 . 1 1 101 101 GLU HG2 H 1 2.49 . . 2 . . . . . . . . 3471 1
51 . 1 1 101 101 GLU HG3 H 1 2.43 . . 2 . . . . . . . . 3471 1
stop_
save_