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 1712
_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 . 1712 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 1 251 251 SER HA H 1 4.4 . . 1 . . . . . . . . 1712 1
2 . 1 1 251 251 SER HB2 H 1 3.86 . . 1 . . . . . . . . 1712 1
3 . 1 1 251 251 SER HB3 H 1 3.86 . . 1 . . . . . . . . 1712 1
4 . 1 1 252 252 ARG HG2 H 1 1.67 . . 1 . . . . . . . . 1712 1
5 . 1 1 252 252 ARG HG3 H 1 1.67 . . 1 . . . . . . . . 1712 1
6 . 1 1 252 252 ARG HD2 H 1 3.23 . . 1 . . . . . . . . 1712 1
7 . 1 1 252 252 ARG HD3 H 1 3.23 . . 1 . . . . . . . . 1712 1
8 . 1 1 253 253 ASP HA H 1 4.62 . . 1 . . . . . . . . 1712 1
9 . 1 1 253 253 ASP HB2 H 1 2.61 . . 2 . . . . . . . . 1712 1
10 . 1 1 253 253 ASP HB3 H 1 2.69 . . 2 . . . . . . . . 1712 1
11 . 1 1 255 255 HIS HA H 1 4.71 . . 1 . . . . . . . . 1712 1
12 . 1 1 255 255 HIS HB2 H 1 3.17 . . 2 . . . . . . . . 1712 1
13 . 1 1 255 255 HIS HB3 H 1 3.28 . . 2 . . . . . . . . 1712 1
14 . 1 1 255 255 HIS HD1 H 1 6.98 . . 1 . . . . . . . . 1712 1
15 . 1 1 255 255 HIS HD2 H 1 6.98 . . 1 . . . . . . . . 1712 1
16 . 1 1 255 255 HIS HE1 H 1 7.68 . . 1 . . . . . . . . 1712 1
17 . 1 1 255 255 HIS HE2 H 1 7.68 . . 1 . . . . . . . . 1712 1
18 . 1 1 256 256 SER HA H 1 4.42 . . 1 . . . . . . . . 1712 1
19 . 1 1 256 256 SER HB2 H 1 3.94 . . 2 . . . . . . . . 1712 1
20 . 1 1 256 256 SER HB3 H 1 3.88 . . 2 . . . . . . . . 1712 1
21 . 1 1 257 257 LYS HA H 1 4.36 . . 1 . . . . . . . . 1712 1
22 . 1 1 257 257 LYS HB2 H 1 1.78 . . 2 . . . . . . . . 1712 1
23 . 1 1 257 257 LYS HB3 H 1 1.85 . . 2 . . . . . . . . 1712 1
24 . 1 1 257 257 LYS HG2 H 1 1.46 . . 1 . . . . . . . . 1712 1
25 . 1 1 257 257 LYS HG3 H 1 1.46 . . 1 . . . . . . . . 1712 1
26 . 1 1 257 257 LYS HD2 H 1 1.71 . . 1 . . . . . . . . 1712 1
27 . 1 1 257 257 LYS HD3 H 1 1.71 . . 1 . . . . . . . . 1712 1
28 . 1 1 257 257 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 1712 1
29 . 1 1 257 257 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 1712 1
30 . 1 1 258 258 VAL HA H 1 4.09 . . 1 . . . . . . . . 1712 1
31 . 1 1 258 258 VAL HB H 1 2.05 . . 1 . . . . . . . . 1712 1
32 . 1 1 258 258 VAL HG11 H 1 .92 . . 2 . . . . . . . . 1712 1
33 . 1 1 258 258 VAL HG12 H 1 .92 . . 2 . . . . . . . . 1712 1
34 . 1 1 258 258 VAL HG13 H 1 .92 . . 2 . . . . . . . . 1712 1
35 . 1 1 258 258 VAL HG21 H 1 .95 . . 2 . . . . . . . . 1712 1
36 . 1 1 258 258 VAL HG22 H 1 .95 . . 2 . . . . . . . . 1712 1
37 . 1 1 258 258 VAL HG23 H 1 .95 . . 2 . . . . . . . . 1712 1
38 . 1 1 259 259 ILE HA H 1 4.21 . . 1 . . . . . . . . 1712 1
39 . 1 1 259 259 ILE HB H 1 1.9 . . 1 . . . . . . . . 1712 1
40 . 1 1 259 259 ILE HG12 H 1 1.21 . . 2 . . . . . . . . 1712 1
41 . 1 1 259 259 ILE HG13 H 1 1.47 . . 2 . . . . . . . . 1712 1
42 . 1 1 259 259 ILE HG21 H 1 .92 . . 1 . . . . . . . . 1712 1
43 . 1 1 259 259 ILE HG22 H 1 .92 . . 1 . . . . . . . . 1712 1
44 . 1 1 259 259 ILE HG23 H 1 .92 . . 1 . . . . . . . . 1712 1
45 . 1 1 259 259 ILE HD11 H 1 .86 . . 1 . . . . . . . . 1712 1
46 . 1 1 259 259 ILE HD12 H 1 .86 . . 1 . . . . . . . . 1712 1
47 . 1 1 259 259 ILE HD13 H 1 .86 . . 1 . . . . . . . . 1712 1
48 . 1 1 260 260 SER HA H 1 4.49 . . 1 . . . . . . . . 1712 1
49 . 1 1 260 260 SER HB2 H 1 3.86 . . 1 . . . . . . . . 1712 1
50 . 1 1 260 260 SER HB3 H 1 3.86 . . 1 . . . . . . . . 1712 1
51 . 1 1 261 261 GLU HA H 1 4.35 . . 1 . . . . . . . . 1712 1
52 . 1 1 261 261 GLU HB2 H 1 1.94 . . 2 . . . . . . . . 1712 1
53 . 1 1 261 261 GLU HB3 H 1 2.11 . . 2 . . . . . . . . 1712 1
54 . 1 1 261 261 GLU HG2 H 1 2.25 . . 2 . . . . . . . . 1712 1
55 . 1 1 261 261 GLU HG3 H 1 2.37 . . 2 . . . . . . . . 1712 1
56 . 1 1 262 262 GLU HA H 1 4.1 . . 1 . . . . . . . . 1712 1
57 . 1 1 262 262 GLU HB2 H 1 1.89 . . 2 . . . . . . . . 1712 1
58 . 1 1 262 262 GLU HB3 H 1 2.04 . . 2 . . . . . . . . 1712 1
59 . 1 1 262 262 GLU HG2 H 1 2.2 . . 1 . . . . . . . . 1712 1
60 . 1 1 262 262 GLU HG3 H 1 2.2 . . 1 . . . . . . . . 1712 1
stop_
save_