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 3472
_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 . 3472 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 7.56 . . 1 . . . . . . . . 3472 1
2 . 1 1 51 51 ASP HA H 1 4.92 . . 1 . . . . . . . . 3472 1
3 . 1 1 51 51 ASP HB2 H 1 2.26 . . 2 . . . . . . . . 3472 1
4 . 1 1 51 51 ASP HB3 H 1 1.24 . . 2 . . . . . . . . 3472 1
5 . 1 1 53 53 ASP H H 1 9.84 . . 1 . . . . . . . . 3472 1
6 . 1 1 53 53 ASP HA H 1 4.4 . . 1 . . . . . . . . 3472 1
7 . 1 1 53 53 ASP HB2 H 1 3.02 . . 2 . . . . . . . . 3472 1
8 . 1 1 53 53 ASP HB3 H 1 2.66 . . 2 . . . . . . . . 3472 1
9 . 1 1 55 55 SER H H 1 9.04 . . 1 . . . . . . . . 3472 1
10 . 1 1 55 55 SER HA H 1 4.38 . . 1 . . . . . . . . 3472 1
11 . 1 1 55 55 SER HB2 H 1 4.19 . . 2 . . . . . . . . 3472 1
12 . 1 1 55 55 SER HB3 H 1 3.9 . . 2 . . . . . . . . 3472 1
13 . 1 1 55 55 SER HG H 1 11.16 . . 1 . . . . . . . . 3472 1
14 . 1 1 57 57 PHE H H 1 8.26 . . 1 . . . . . . . . 3472 1
15 . 1 1 57 57 PHE HA H 1 5.24 . . 1 . . . . . . . . 3472 1
16 . 1 1 57 57 PHE HB2 H 1 2.99 . . 2 . . . . . . . . 3472 1
17 . 1 1 57 57 PHE HB3 H 1 2.36 . . 2 . . . . . . . . 3472 1
18 . 1 1 59 59 GLU H H 1 8.1 . . 1 . . . . . . . . 3472 1
19 . 1 1 59 59 GLU HA H 1 4.44 . . 1 . . . . . . . . 3472 1
20 . 1 1 59 59 GLU HB2 H 1 2.47 . . 2 . . . . . . . . 3472 1
21 . 1 1 59 59 GLU HB3 H 1 2.2 . . 2 . . . . . . . . 3472 1
22 . 1 1 59 59 GLU HG2 H 1 2.58 . . 1 . . . . . . . . 3472 1
23 . 1 1 59 59 GLU HG3 H 1 2.58 . . 1 . . . . . . . . 3472 1
24 . 1 1 62 62 GLU H H 1 6.92 . . 1 . . . . . . . . 3472 1
25 . 1 1 62 62 GLU HA H 1 4.82 . . 1 . . . . . . . . 3472 1
26 . 1 1 62 62 GLU HB2 H 1 2.44 . . 2 . . . . . . . . 3472 1
27 . 1 1 62 62 GLU HB3 H 1 2.17 . . 2 . . . . . . . . 3472 1
28 . 1 1 62 62 GLU HG2 H 1 2.6 . . 2 . . . . . . . . 3472 1
29 . 1 1 62 62 GLU HG3 H 1 2.32 . . 2 . . . . . . . . 3472 1
30 . 1 1 90 90 ASP H H 1 8.52 . . 1 . . . . . . . . 3472 1
31 . 1 1 90 90 ASP HA H 1 5.09 . . 1 . . . . . . . . 3472 1
32 . 1 1 90 90 ASP HB2 H 1 2.83 . . 2 . . . . . . . . 3472 1
33 . 1 1 90 90 ASP HB3 H 1 2.11 . . 2 . . . . . . . . 3472 1
34 . 1 1 92 92 ASP H H 1 10.01 . . 1 . . . . . . . . 3472 1
35 . 1 1 92 92 ASP HA H 1 4.49 . . 1 . . . . . . . . 3472 1
36 . 1 1 92 92 ASP HB2 H 1 3.08 . . 2 . . . . . . . . 3472 1
37 . 1 1 92 92 ASP HB3 H 1 2.68 . . 2 . . . . . . . . 3472 1
38 . 1 1 94 94 ASP H H 1 8.65 . . 1 . . . . . . . . 3472 1
39 . 1 1 94 94 ASP HA H 1 4.56 . . 1 . . . . . . . . 3472 1
40 . 1 1 94 94 ASP HB2 H 1 2.86 . . 2 . . . . . . . . 3472 1
41 . 1 1 94 94 ASP HB3 H 1 2.49 . . 2 . . . . . . . . 3472 1
42 . 1 1 96 96 LYS H H 1 7.91 . . 1 . . . . . . . . 3472 1
43 . 1 1 96 96 LYS HA H 1 4.76 . . 1 . . . . . . . . 3472 1
44 . 1 1 96 96 LYS HB2 H 1 1.71 . . 2 . . . . . . . . 3472 1
45 . 1 1 96 96 LYS HB3 H 1 1.42 . . 2 . . . . . . . . 3472 1
46 . 1 1 101 101 GLU H H 1 8 . . 1 . . . . . . . . 3472 1
47 . 1 1 101 101 GLU HA H 1 4.53 . . 1 . . . . . . . . 3472 1
48 . 1 1 101 101 GLU HB2 H 1 2.61 . . 2 . . . . . . . . 3472 1
49 . 1 1 101 101 GLU HB3 H 1 2.39 . . 2 . . . . . . . . 3472 1
stop_
save_