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 398
_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 . 398 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 41 41 ALA H H 1 8.61 . . 1 . . . . . . . . 398 1
2 . 1 1 41 41 ALA HA H 1 4.13 . . 1 . . . . . . . . 398 1
3 . 1 1 41 41 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 398 1
4 . 1 1 41 41 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 398 1
5 . 1 1 41 41 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 398 1
6 . 1 1 42 42 GLU H H 1 9.19 . . 1 . . . . . . . . 398 1
7 . 1 1 42 42 GLU HA H 1 4.07 . . 1 . . . . . . . . 398 1
8 . 1 1 42 42 GLU HB2 H 1 2.09 . . 2 . . . . . . . . 398 1
9 . 1 1 42 42 GLU HB3 H 1 2.11 . . 2 . . . . . . . . 398 1
10 . 1 1 43 43 CYS H H 1 8.49 . . 1 . . . . . . . . 398 1
11 . 1 1 43 43 CYS HA H 1 4.66 . . 1 . . . . . . . . 398 1
12 . 1 1 43 43 CYS HB2 H 1 2.93 . . 2 . . . . . . . . 398 1
13 . 1 1 43 43 CYS HB3 H 1 3.8 . . 2 . . . . . . . . 398 1
14 . 1 1 44 44 ALA H H 1 7.71 . . 1 . . . . . . . . 398 1
15 . 1 1 44 44 ALA HA H 1 4.02 . . 1 . . . . . . . . 398 1
16 . 1 1 44 44 ALA HB1 H 1 1.4 . . 1 . . . . . . . . 398 1
17 . 1 1 44 44 ALA HB2 H 1 1.4 . . 1 . . . . . . . . 398 1
18 . 1 1 44 44 ALA HB3 H 1 1.4 . . 1 . . . . . . . . 398 1
19 . 1 1 45 45 GLN H H 1 7.67 . . 1 . . . . . . . . 398 1
20 . 1 1 45 45 GLN HA H 1 3.82 . . 1 . . . . . . . . 398 1
21 . 1 1 45 45 GLN HB2 H 1 2.11 . . 2 . . . . . . . . 398 1
22 . 1 1 45 45 GLN HB3 H 1 2.16 . . 2 . . . . . . . . 398 1
23 . 1 1 45 45 GLN HG2 H 1 2.33 . . 2 . . . . . . . . 398 1
24 . 1 1 45 45 GLN HG3 H 1 2.36 . . 2 . . . . . . . . 398 1
25 . 1 1 45 45 GLN HE21 H 1 6.78 . . 2 . . . . . . . . 398 1
26 . 1 1 45 45 GLN HE22 H 1 7.78 . . 2 . . . . . . . . 398 1
27 . 1 1 46 46 ASP H H 1 7.06 . . 1 . . . . . . . . 398 1
28 . 1 1 46 46 ASP HA H 1 4.23 . . 1 . . . . . . . . 398 1
29 . 1 1 46 46 ASP HB2 H 1 2.61 . . 2 . . . . . . . . 398 1
30 . 1 1 46 46 ASP HB3 H 1 2.69 . . 2 . . . . . . . . 398 1
31 . 1 1 47 47 ALA H H 1 7.75 . . 1 . . . . . . . . 398 1
32 . 1 1 47 47 ALA HA H 1 3.5 . . 1 . . . . . . . . 398 1
33 . 1 1 47 47 ALA HB1 H 1 .92 . . 1 . . . . . . . . 398 1
34 . 1 1 47 47 ALA HB2 H 1 .92 . . 1 . . . . . . . . 398 1
35 . 1 1 47 47 ALA HB3 H 1 .92 . . 1 . . . . . . . . 398 1
36 . 1 1 48 48 ILE H H 1 7.91 . . 1 . . . . . . . . 398 1
37 . 1 1 48 48 ILE HA H 1 3.19 . . 1 . . . . . . . . 398 1
38 . 1 1 48 48 ILE HB H 1 1.86 . . 1 . . . . . . . . 398 1
39 . 1 1 48 48 ILE HG12 H 1 .53 . . 2 . . . . . . . . 398 1
40 . 1 1 48 48 ILE HG13 H 1 1.69 . . 2 . . . . . . . . 398 1
41 . 1 1 48 48 ILE HG21 H 1 .8 . . 1 . . . . . . . . 398 1
42 . 1 1 48 48 ILE HG22 H 1 .8 . . 1 . . . . . . . . 398 1
43 . 1 1 48 48 ILE HG23 H 1 .8 . . 1 . . . . . . . . 398 1
44 . 1 1 48 48 ILE HD11 H 1 .69 . . 1 . . . . . . . . 398 1
45 . 1 1 48 48 ILE HD12 H 1 .69 . . 1 . . . . . . . . 398 1
46 . 1 1 48 48 ILE HD13 H 1 .69 . . 1 . . . . . . . . 398 1
47 . 1 1 49 49 ASP H H 1 8.08 . . 1 . . . . . . . . 398 1
48 . 1 1 49 49 ASP HA H 1 4.36 . . 1 . . . . . . . . 398 1
49 . 1 1 49 49 ASP HB2 H 1 2.68 . . 1 . . . . . . . . 398 1
50 . 1 1 49 49 ASP HB3 H 1 2.68 . . 1 . . . . . . . . 398 1
51 . 1 1 50 50 ALA H H 1 7.37 . . 1 . . . . . . . . 398 1
52 . 1 1 50 50 ALA HA H 1 4.11 . . 1 . . . . . . . . 398 1
53 . 1 1 50 50 ALA HB1 H 1 1.23 . . 1 . . . . . . . . 398 1
54 . 1 1 50 50 ALA HB2 H 1 1.23 . . 1 . . . . . . . . 398 1
55 . 1 1 50 50 ALA HB3 H 1 1.23 . . 1 . . . . . . . . 398 1
stop_
save_