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 87
_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 . 87 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 PCA HA H 1 4.36 . . 1 . . . . . . . . 87 1
2 . 1 1 1 1 PCA HB3 H 1 2.51 . . 2 . . . . . . . . 87 1
3 . 1 1 1 1 PCA HB2 H 1 2.03 . . 2 . . . . . . . . 87 1
4 . 1 1 1 1 PCA HG3 H 1 2.41 . . 1 . . . . . . . . 87 1
5 . 1 1 1 1 PCA HG2 H 1 2.41 . . 1 . . . . . . . . 87 1
6 . 1 1 2 2 GLN HA H 1 4.3 . . 1 . . . . . . . . 87 1
7 . 1 1 2 2 GLN HB2 H 1 2.06 . . 1 . . . . . . . . 87 1
8 . 1 1 2 2 GLN HB3 H 1 2.06 . . 1 . . . . . . . . 87 1
9 . 1 1 2 2 GLN HG2 H 1 2.38 . . 1 . . . . . . . . 87 1
10 . 1 1 2 2 GLN HG3 H 1 2.38 . . 1 . . . . . . . . 87 1
11 . 1 1 3 3 ARG HA H 1 4.4 . . 1 . . . . . . . . 87 1
12 . 1 1 3 3 ARG HB2 H 1 1.57 . . 2 . . . . . . . . 87 1
13 . 1 1 3 3 ARG HB3 H 1 1.69 . . 2 . . . . . . . . 87 1
14 . 1 1 3 3 ARG HG2 H 1 1.56 . . 1 . . . . . . . . 87 1
15 . 1 1 3 3 ARG HG3 H 1 1.56 . . 1 . . . . . . . . 87 1
16 . 1 1 3 3 ARG HD2 H 1 3.13 . . 1 . . . . . . . . 87 1
17 . 1 1 3 3 ARG HD3 H 1 3.13 . . 1 . . . . . . . . 87 1
18 . 1 1 3 3 ARG HE H 1 7.17 . . 1 . . . . . . . . 87 1
19 . 1 1 4 4 LEU HA H 1 4.36 . . 1 . . . . . . . . 87 1
20 . 1 1 4 4 LEU HB2 H 1 1.61 . . 1 . . . . . . . . 87 1
21 . 1 1 4 4 LEU HB3 H 1 1.61 . . 1 . . . . . . . . 87 1
22 . 1 1 4 4 LEU HG H 1 1.61 . . 1 . . . . . . . . 87 1
23 . 1 1 5 5 GLY H H 1 8.24 . . 1 . . . . . . . . 87 1
24 . 1 1 5 5 GLY HA2 H 1 3.96 . . 1 . . . . . . . . 87 1
25 . 1 1 5 5 GLY HA3 H 1 3.96 . . 1 . . . . . . . . 87 1
26 . 1 1 6 6 ASN HA H 1 4.63 . . 1 . . . . . . . . 87 1
27 . 1 1 6 6 ASN HB2 H 1 2.69 . . 1 . . . . . . . . 87 1
28 . 1 1 6 6 ASN HB3 H 1 2.69 . . 1 . . . . . . . . 87 1
29 . 1 1 7 7 GLN H H 1 8.41 . . 1 . . . . . . . . 87 1
30 . 1 1 7 7 GLN HA H 1 4.18 . . 1 . . . . . . . . 87 1
31 . 1 1 7 7 GLN HB2 H 1 1.9 . . 1 . . . . . . . . 87 1
32 . 1 1 7 7 GLN HB3 H 1 1.9 . . 1 . . . . . . . . 87 1
33 . 1 1 7 7 GLN HG2 H 1 2.38 . . 1 . . . . . . . . 87 1
34 . 1 1 7 7 GLN HG3 H 1 2.38 . . 1 . . . . . . . . 87 1
35 . 1 1 8 8 TRP HA H 1 4.64 . . 1 . . . . . . . . 87 1
36 . 1 1 8 8 TRP HB2 H 1 3.08 . . 2 . . . . . . . . 87 1
37 . 1 1 8 8 TRP HB3 H 1 3.24 . . 2 . . . . . . . . 87 1
38 . 1 1 8 8 TRP HD1 H 1 7.22 . . 1 . . . . . . . . 87 1
39 . 1 1 8 8 TRP HE1 H 1 10.09 . . 1 . . . . . . . . 87 1
40 . 1 1 8 8 TRP HE3 H 1 7.56 . . 1 . . . . . . . . 87 1
41 . 1 1 8 8 TRP HZ2 H 1 7.44 . . 1 . . . . . . . . 87 1
42 . 1 1 8 8 TRP HZ3 H 1 7.12 . . 1 . . . . . . . . 87 1
43 . 1 1 8 8 TRP HH2 H 1 7.2 . . 1 . . . . . . . . 87 1
44 . 1 1 9 9 ALA H H 1 7.95 . . 1 . . . . . . . . 87 1
45 . 1 1 9 9 ALA HA H 1 4.26 . . 1 . . . . . . . . 87 1
46 . 1 1 9 9 ALA HB1 H 1 1.3 . . 1 . . . . . . . . 87 1
47 . 1 1 9 9 ALA HB2 H 1 1.3 . . 1 . . . . . . . . 87 1
48 . 1 1 9 9 ALA HB3 H 1 1.3 . . 1 . . . . . . . . 87 1
49 . 1 1 10 10 VAL H H 1 7.9 . . 1 . . . . . . . . 87 1
50 . 1 1 10 10 VAL HA H 1 4.01 . . 1 . . . . . . . . 87 1
51 . 1 1 10 10 VAL HB H 1 2.05 . . 1 . . . . . . . . 87 1
52 . 1 1 10 10 VAL HG11 H 1 .91 . . 2 . . . . . . . . 87 1
53 . 1 1 10 10 VAL HG12 H 1 .91 . . 2 . . . . . . . . 87 1
54 . 1 1 10 10 VAL HG13 H 1 .91 . . 2 . . . . . . . . 87 1
55 . 1 1 10 10 VAL HG21 H 1 .96 . . 2 . . . . . . . . 87 1
56 . 1 1 10 10 VAL HG22 H 1 .96 . . 2 . . . . . . . . 87 1
57 . 1 1 10 10 VAL HG23 H 1 .96 . . 2 . . . . . . . . 87 1
58 . 1 1 11 11 GLY H H 1 8.33 . . 1 . . . . . . . . 87 1
59 . 1 1 11 11 GLY HA2 H 1 3.9 . . 1 . . . . . . . . 87 1
60 . 1 1 11 11 GLY HA3 H 1 3.9 . . 1 . . . . . . . . 87 1
61 . 1 1 12 12 HIS HA H 1 4.62 . . 1 . . . . . . . . 87 1
62 . 1 1 12 12 HIS HB2 H 1 3.19 . . 2 . . . . . . . . 87 1
63 . 1 1 12 12 HIS HB3 H 1 3.3 . . 2 . . . . . . . . 87 1
64 . 1 1 12 12 HIS HD2 H 1 7.19 . . 1 . . . . . . . . 87 1
65 . 1 1 12 12 HIS HE1 H 1 8.5 . . 1 . . . . . . . . 87 1
66 . 1 1 13 13 LEU HA H 1 4.36 . . 1 . . . . . . . . 87 1
67 . 1 1 13 13 LEU HB2 H 1 1.61 . . 1 . . . . . . . . 87 1
68 . 1 1 13 13 LEU HB3 H 1 1.61 . . 1 . . . . . . . . 87 1
69 . 1 1 13 13 LEU HG H 1 1.61 . . 1 . . . . . . . . 87 1
70 . 1 1 14 14 MET HA H 1 4.43 . . 1 . . . . . . . . 87 1
71 . 1 1 14 14 MET HB2 H 1 2.13 . . 2 . . . . . . . . 87 1
72 . 1 1 14 14 MET HB3 H 1 1.97 . . 2 . . . . . . . . 87 1
73 . 1 1 14 14 MET HG2 H 1 2.63 . . 2 . . . . . . . . 87 1
74 . 1 1 14 14 MET HG3 H 1 2.56 . . 2 . . . . . . . . 87 1
75 . 1 1 14 14 MET HE1 H 1 2.08 . . 1 . . . . . . . . 87 1
76 . 1 1 14 14 MET HE2 H 1 2.08 . . 1 . . . . . . . . 87 1
77 . 1 1 14 14 MET HE3 H 1 2.08 . . 1 . . . . . . . . 87 1
stop_
save_