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 1724
_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 . 1724 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 GLY HA2 H 1 3.82 . . 1 . . . . . . . . 1724 1
2 . 1 1 1 1 GLY HA3 H 1 3.82 . . 1 . . . . . . . . 1724 1
3 . 1 1 2 2 VAL H H 1 8.6 . . 1 . . . . . . . . 1724 1
4 . 1 1 2 2 VAL HA H 1 4.12 . . 1 . . . . . . . . 1724 1
5 . 1 1 2 2 VAL HB H 1 2.06 . . 1 . . . . . . . . 1724 1
6 . 1 1 2 2 VAL HG11 H 1 .89 . . 1 . . . . . . . . 1724 1
7 . 1 1 2 2 VAL HG12 H 1 .89 . . 1 . . . . . . . . 1724 1
8 . 1 1 2 2 VAL HG13 H 1 .89 . . 1 . . . . . . . . 1724 1
9 . 1 1 2 2 VAL HG21 H 1 .89 . . 1 . . . . . . . . 1724 1
10 . 1 1 2 2 VAL HG22 H 1 .89 . . 1 . . . . . . . . 1724 1
11 . 1 1 2 2 VAL HG23 H 1 .89 . . 1 . . . . . . . . 1724 1
12 . 1 1 3 3 LYS H H 1 8.61 . . 1 . . . . . . . . 1724 1
13 . 1 1 3 3 LYS HA H 1 4.24 . . 1 . . . . . . . . 1724 1
14 . 1 1 3 3 LYS HB2 H 1 1.74 . . 2 . . . . . . . . 1724 1
15 . 1 1 3 3 LYS HB3 H 1 1.68 . . 2 . . . . . . . . 1724 1
16 . 1 1 3 3 LYS HG2 H 1 1.34 . . 2 . . . . . . . . 1724 1
17 . 1 1 3 3 LYS HG3 H 1 1.37 . . 2 . . . . . . . . 1724 1
18 . 1 1 3 3 LYS HD2 H 1 1.63 . . 1 . . . . . . . . 1724 1
19 . 1 1 3 3 LYS HD3 H 1 1.63 . . 1 . . . . . . . . 1724 1
20 . 1 1 3 3 LYS HE2 H 1 2.93 . . 1 . . . . . . . . 1724 1
21 . 1 1 3 3 LYS HE3 H 1 2.93 . . 1 . . . . . . . . 1724 1
22 . 1 1 4 4 GLY H H 1 8.44 . . 1 . . . . . . . . 1724 1
23 . 1 1 4 4 GLY HA2 H 1 3.87 . . 1 . . . . . . . . 1724 1
24 . 1 1 4 4 GLY HA3 H 1 3.87 . . 1 . . . . . . . . 1724 1
25 . 1 1 9 9 PRO HA H 1 4.31 . . 1 . . . . . . . . 1724 1
26 . 1 1 9 9 PRO HB2 H 1 1.8 . . 2 . . . . . . . . 1724 1
27 . 1 1 9 9 PRO HB3 H 1 2.11 . . 2 . . . . . . . . 1724 1
28 . 1 1 9 9 PRO HG2 H 1 1.8 . . 1 . . . . . . . . 1724 1
29 . 1 1 9 9 PRO HG3 H 1 1.8 . . 1 . . . . . . . . 1724 1
30 . 1 1 10 10 GLY H H 1 8.35 . . 1 . . . . . . . . 1724 1
31 . 1 1 10 10 GLY HA2 H 1 3.78 . . 1 . . . . . . . . 1724 1
32 . 1 1 10 10 GLY HA3 H 1 3.78 . . 1 . . . . . . . . 1724 1
33 . 1 1 11 11 TRP H H 1 7.87 . . 1 . . . . . . . . 1724 1
34 . 1 1 11 11 TRP HA H 1 4.9 . . 1 . . . . . . . . 1724 1
35 . 1 1 11 11 TRP HB2 H 1 3.13 . . 2 . . . . . . . . 1724 1
36 . 1 1 11 11 TRP HB3 H 1 3.28 . . 2 . . . . . . . . 1724 1
37 . 1 1 12 12 PRO HA H 1 4.36 . . 1 . . . . . . . . 1724 1
38 . 1 1 13 13 GLY H H 1 7.71 . . 1 . . . . . . . . 1724 1
39 . 1 1 13 13 GLY HA2 H 1 3.57 . . 2 . . . . . . . . 1724 1
40 . 1 1 13 13 GLY HA3 H 1 3.77 . . 2 . . . . . . . . 1724 1
41 . 1 1 14 14 ALA H H 1 7.87 . . 1 . . . . . . . . 1724 1
42 . 1 1 14 14 ALA HA H 1 3.81 . . 1 . . . . . . . . 1724 1
43 . 1 1 14 14 ALA HB1 H 1 1.05 . . 1 . . . . . . . . 1724 1
44 . 1 1 14 14 ALA HB2 H 1 1.05 . . 1 . . . . . . . . 1724 1
45 . 1 1 14 14 ALA HB3 H 1 1.05 . . 1 . . . . . . . . 1724 1
46 . 1 1 15 15 PRO HA H 1 4.32 . . 1 . . . . . . . . 1724 1
47 . 1 1 15 15 PRO HB2 H 1 1.82 . . 2 . . . . . . . . 1724 1
48 . 1 1 15 15 PRO HB3 H 1 2.1 . . 2 . . . . . . . . 1724 1
49 . 1 1 16 16 TYR H H 1 7.5 . . 1 . . . . . . . . 1724 1
50 . 1 1 16 16 TYR HA H 1 4.35 . . 1 . . . . . . . . 1724 1
51 . 1 1 16 16 TYR HB2 H 1 2.78 . . 2 . . . . . . . . 1724 1
52 . 1 1 16 16 TYR HB3 H 1 3.12 . . 2 . . . . . . . . 1724 1
53 . 1 1 16 16 TYR HD1 H 1 7.08 . . 1 . . . . . . . . 1724 1
54 . 1 1 16 16 TYR HD2 H 1 7.08 . . 1 . . . . . . . . 1724 1
55 . 1 1 16 16 TYR HE1 H 1 6.74 . . 1 . . . . . . . . 1724 1
56 . 1 1 16 16 TYR HE2 H 1 6.74 . . 1 . . . . . . . . 1724 1
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