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 2071
_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 . 2071 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 7 7 PHE H H 1 8.82 . . 1 . . . . . . . . 2071 1
2 . 1 1 10 10 VAL H H 1 8.86 . . 1 . . . . . . . . 2071 1
3 . 1 1 11 11 ALA H H 1 8.26 . . 1 . . . . . . . . 2071 1
4 . 1 1 14 14 LEU H H 1 9.07 . . 1 . . . . . . . . 2071 1
5 . 1 1 23 23 ASN H H 1 8.33 . . 1 . . . . . . . . 2071 1
6 . 1 1 27 27 LYS H H 1 10.13 . . 1 . . . . . . . . 2071 1
7 . 1 1 31 31 GLN H H 1 9.32 . . 1 . . . . . . . . 2071 1
8 . 1 1 40 40 GLY HA2 H 1 2.42 . . 1 . . . . . . . . 2071 1
9 . 1 1 40 40 GLY HA3 H 1 2.42 . . 1 . . . . . . . . 2071 1
10 . 1 1 49 49 LYS H H 1 7.8 . . 1 . . . . . . . . 2071 1
11 . 1 1 51 51 ILE HB H 1 1.46 . . 1 . . . . . . . . 2071 1
12 . 1 1 52 52 GLY H H 1 9.07 . . 1 . . . . . . . . 2071 1
13 . 1 1 52 52 GLY HA2 H 1 3.92 . . 1 . . . . . . . . 2071 1
14 . 1 1 52 52 GLY HA3 H 1 3.92 . . 1 . . . . . . . . 2071 1
15 . 1 1 53 53 GLY H H 1 9.47 . . 1 . . . . . . . . 2071 1
16 . 1 1 54 54 ASP H H 1 8.72 . . 1 . . . . . . . . 2071 1
17 . 1 1 56 56 PHE H H 1 9.03 . . 1 . . . . . . . . 2071 1
18 . 1 1 58 58 ASN H H 1 6.42 . . 1 . . . . . . . . 2071 1
19 . 1 1 70 70 THR H H 1 8.11 . . 1 . . . . . . . . 2071 1
20 . 1 1 71 71 TRP H H 1 9.06 . . 1 . . . . . . . . 2071 1
21 . 1 1 71 71 TRP HE1 H 1 8.76 . . 1 . . . . . . . . 2071 1
22 . 1 1 72 72 ARG H H 1 8.67 . . 1 . . . . . . . . 2071 1
23 . 1 1 72 72 ARG HA H 1 5.12 . . 1 . . . . . . . . 2071 1
24 . 1 1 72 72 ARG HB2 H 1 .34 . . 1 . . . . . . . . 2071 1
25 . 1 1 72 72 ARG HB3 H 1 .34 . . 1 . . . . . . . . 2071 1
26 . 1 1 73 73 GLU H H 1 7.97 . . 1 . . . . . . . . 2071 1
27 . 1 1 73 73 GLU HA H 1 5.95 . . 1 . . . . . . . . 2071 1
28 . 1 1 73 73 GLU HB2 H 1 2.13 . . 1 . . . . . . . . 2071 1
29 . 1 1 73 73 GLU HB3 H 1 2.13 . . 1 . . . . . . . . 2071 1
30 . 1 1 74 74 ALA H H 1 9.31 . . 1 . . . . . . . . 2071 1
31 . 1 1 74 74 ALA HA H 1 4.91 . . 1 . . . . . . . . 2071 1
32 . 1 1 74 74 ALA HB1 H 1 1.11 . . 1 . . . . . . . . 2071 1
33 . 1 1 74 74 ALA HB2 H 1 1.11 . . 1 . . . . . . . . 2071 1
34 . 1 1 74 74 ALA HB3 H 1 1.11 . . 1 . . . . . . . . 2071 1
35 . 1 1 75 75 ASP H H 1 9.37 . . 1 . . . . . . . . 2071 1
36 . 1 1 75 75 ASP HB2 H 1 3.23 . . 2 . . . . . . . . 2071 1
37 . 1 1 75 75 ASP HB3 H 1 2.67 . . 2 . . . . . . . . 2071 1
38 . 1 1 76 76 ILE H H 1 8.03 . . 1 . . . . . . . . 2071 1
39 . 1 1 77 77 ASN H H 1 8.68 . . 1 . . . . . . . . 2071 1
40 . 1 1 81 81 GLY H H 1 8.84 . . 1 . . . . . . . . 2071 1
41 . 1 1 84 84 ASN H H 1 9.11 . . 1 . . . . . . . . 2071 1
42 . 1 1 84 84 ASN HB2 H 1 3.43 . . 2 . . . . . . . . 2071 1
43 . 1 1 84 84 ASN HB3 H 1 3.1 . . 2 . . . . . . . . 2071 1
44 . 1 1 85 85 SER H H 1 8.35 . . 1 . . . . . . . . 2071 1
45 . 1 1 85 85 SER HA H 1 4.38 . . 1 . . . . . . . . 2071 1
46 . 1 1 86 86 ASP H H 1 7.86 . . 1 . . . . . . . . 2071 1
47 . 1 1 86 86 ASP HB2 H 1 3.08 . . 2 . . . . . . . . 2071 1
48 . 1 1 86 86 ASP HB3 H 1 2.34 . . 2 . . . . . . . . 2071 1
49 . 1 1 87 87 ARG H H 1 9.34 . . 1 . . . . . . . . 2071 1
50 . 1 1 87 87 ARG HA H 1 5.11 . . 1 . . . . . . . . 2071 1
51 . 1 1 87 87 ARG HB2 H 1 1.34 . . 1 . . . . . . . . 2071 1
52 . 1 1 87 87 ARG HB3 H 1 1.34 . . 1 . . . . . . . . 2071 1
53 . 1 1 89 89 LEU H H 1 9.32 . . 1 . . . . . . . . 2071 1
54 . 1 1 89 89 LEU HD11 H 1 .73 . . 2 . . . . . . . . 2071 1
55 . 1 1 89 89 LEU HD12 H 1 .73 . . 2 . . . . . . . . 2071 1
56 . 1 1 89 89 LEU HD13 H 1 .73 . . 2 . . . . . . . . 2071 1
57 . 1 1 89 89 LEU HD21 H 1 .31 . . 2 . . . . . . . . 2071 1
58 . 1 1 89 89 LEU HD22 H 1 .31 . . 2 . . . . . . . . 2071 1
59 . 1 1 89 89 LEU HD23 H 1 .31 . . 2 . . . . . . . . 2071 1
60 . 1 1 92 92 SER H H 1 7.98 . . 1 . . . . . . . . 2071 1
61 . 1 1 96 96 ILE HA H 1 5.44 . . 1 . . . . . . . . 2071 1
62 . 1 1 98 98 LYS HA H 1 5.76 . . 1 . . . . . . . . 2071 1
63 . 1 1 98 98 LYS HB2 H 1 1.72 . . 1 . . . . . . . . 2071 1
64 . 1 1 98 98 LYS HB3 H 1 1.72 . . 1 . . . . . . . . 2071 1
65 . 1 1 99 99 THR H H 1 8.97 . . 1 . . . . . . . . 2071 1
66 . 1 1 100 100 THR H H 1 8.96 . . 1 . . . . . . . . 2071 1
67 . 1 1 100 100 THR HA H 1 5.26 . . 1 . . . . . . . . 2071 1
68 . 1 1 102 102 HIS H H 1 9.23 . . 1 . . . . . . . . 2071 1
69 . 1 1 102 102 HIS HA H 1 3.59 . . 1 . . . . . . . . 2071 1
70 . 1 1 102 102 HIS HB2 H 1 2.82 . . 1 . . . . . . . . 2071 1
71 . 1 1 102 102 HIS HB3 H 1 2.82 . . 1 . . . . . . . . 2071 1
72 . 1 1 102 102 HIS HD2 H 1 8.63 . . 1 . . . . . . . . 2071 1
73 . 1 1 102 102 HIS HE1 H 1 7.25 . . 1 . . . . . . . . 2071 1
74 . 1 1 103 103 TYR H H 1 7.5 . . 1 . . . . . . . . 2071 1
75 . 1 1 103 103 TYR HD1 H 1 6.51 . . 1 . . . . . . . . 2071 1
76 . 1 1 103 103 TYR HD2 H 1 6.51 . . 1 . . . . . . . . 2071 1
77 . 1 1 104 104 GLN H H 1 7.28 . . 1 . . . . . . . . 2071 1
78 . 1 1 104 104 GLN HB2 H 1 1.9 . . 1 . . . . . . . . 2071 1
79 . 1 1 104 104 GLN HB3 H 1 1.9 . . 1 . . . . . . . . 2071 1
80 . 1 1 105 105 THR H H 1 9.72 . . 1 . . . . . . . . 2071 1
81 . 1 1 106 106 PHE H H 1 8.54 . . 1 . . . . . . . . 2071 1
82 . 1 1 109 109 LYS H H 1 8.91 . . 1 . . . . . . . . 2071 1
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