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 2066
_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 . 2066 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 27 27 LYS H H 1 10.2 . . 1 . . . . . . . . 2066 1
2 . 1 1 27 27 LYS HA H 1 3.98 . . 1 . . . . . . . . 2066 1
3 . 1 1 27 27 LYS HB2 H 1 2.14 . . 2 . . . . . . . . 2066 1
4 . 1 1 27 27 LYS HB3 H 1 2.06 . . 2 . . . . . . . . 2066 1
5 . 1 1 27 27 LYS HG2 H 1 1.63 . . 1 . . . . . . . . 2066 1
6 . 1 1 27 27 LYS HG3 H 1 1.63 . . 1 . . . . . . . . 2066 1
7 . 1 1 28 28 SER H H 1 9.09 . . 1 . . . . . . . . 2066 1
8 . 1 1 30 30 ALA H H 1 8.78 . . 1 . . . . . . . . 2066 1
9 . 1 1 40 40 GLY HA2 H 1 3.79 . . 1 . . . . . . . . 2066 1
10 . 1 1 40 40 GLY HA3 H 1 3.79 . . 1 . . . . . . . . 2066 1
11 . 1 1 41 41 ASN H H 1 7.59 . . 1 . . . . . . . . 2066 1
12 . 1 1 42 42 LEU H H 1 8.21 . . 1 . . . . . . . . 2066 1
13 . 1 1 50 50 SER H H 1 8.1 . . 1 . . . . . . . . 2066 1
14 . 1 1 52 52 GLY H H 1 9.24 . . 1 . . . . . . . . 2066 1
15 . 1 1 52 52 GLY HA2 H 1 4.12 . . 1 . . . . . . . . 2066 1
16 . 1 1 52 52 GLY HA3 H 1 4.12 . . 1 . . . . . . . . 2066 1
17 . 1 1 54 54 ASP H H 1 8.57 . . 1 . . . . . . . . 2066 1
18 . 1 1 56 56 PHE H H 1 9.16 . . 1 . . . . . . . . 2066 1
19 . 1 1 56 56 PHE HD1 H 1 6.88 . . 1 . . . . . . . . 2066 1
20 . 1 1 56 56 PHE HD2 H 1 6.88 . . 1 . . . . . . . . 2066 1
21 . 1 1 56 56 PHE HE1 H 1 6.77 . . 1 . . . . . . . . 2066 1
22 . 1 1 56 56 PHE HE2 H 1 6.77 . . 1 . . . . . . . . 2066 1
23 . 1 1 56 56 PHE HZ H 1 7.37 . . 1 . . . . . . . . 2066 1
24 . 1 1 57 57 SER HA H 1 3.96 . . 1 . . . . . . . . 2066 1
25 . 1 1 58 58 ASN H H 1 6.43 . . 1 . . . . . . . . 2066 1
26 . 1 1 58 58 ASN HA H 1 4.06 . . 1 . . . . . . . . 2066 1
27 . 1 1 62 62 LYS HA H 1 4.01 . . 1 . . . . . . . . 2066 1
28 . 1 1 62 62 LYS HB2 H 1 1.91 . . 2 . . . . . . . . 2066 1
29 . 1 1 62 62 LYS HB3 H 1 1.76 . . 2 . . . . . . . . 2066 1
30 . 1 1 63 63 LEU H H 1 7.56 . . 1 . . . . . . . . 2066 1
31 . 1 1 63 63 LEU HA H 1 3.92 . . 1 . . . . . . . . 2066 1
32 . 1 1 63 63 LEU HG H 1 -1 . . 1 . . . . . . . . 2066 1
33 . 1 1 73 73 GLU H H 1 8.21 . . 1 . . . . . . . . 2066 1
34 . 1 1 73 73 GLU HA H 1 6.29 . . 1 . . . . . . . . 2066 1
35 . 1 1 74 74 ALA H H 1 9.19 . . 1 . . . . . . . . 2066 1
36 . 1 1 76 76 ILE H H 1 7.74 . . 1 . . . . . . . . 2066 1
37 . 1 1 83 83 ARG H H 1 8.39 . . 1 . . . . . . . . 2066 1
38 . 1 1 83 83 ARG HB2 H 1 2.04 . . 1 . . . . . . . . 2066 1
39 . 1 1 83 83 ARG HB3 H 1 2.04 . . 1 . . . . . . . . 2066 1
40 . 1 1 83 83 ARG HE H 1 9.67 . . 1 . . . . . . . . 2066 1
41 . 1 1 83 83 ARG HH11 H 1 6.76 . . 1 . . . . . . . . 2066 1
42 . 1 1 83 83 ARG HH12 H 1 6.76 . . 1 . . . . . . . . 2066 1
43 . 1 1 83 83 ARG HH21 H 1 6.76 . . 1 . . . . . . . . 2066 1
44 . 1 1 83 83 ARG HH22 H 1 6.76 . . 1 . . . . . . . . 2066 1
45 . 1 1 84 84 ASN H H 1 9.02 . . 1 . . . . . . . . 2066 1
46 . 1 1 85 85 SER HA H 1 4.36 . . 1 . . . . . . . . 2066 1
47 . 1 1 86 86 ASP H H 1 7.9 . . 1 . . . . . . . . 2066 1
48 . 1 1 86 86 ASP HA H 1 5.65 . . 1 . . . . . . . . 2066 1
49 . 1 1 86 86 ASP HB2 H 1 3.37 . . 1 . . . . . . . . 2066 1
50 . 1 1 86 86 ASP HB3 H 1 3.37 . . 1 . . . . . . . . 2066 1
51 . 1 1 87 87 ARG H H 1 9.54 . . 1 . . . . . . . . 2066 1
52 . 1 1 87 87 ARG HA H 1 5.61 . . 1 . . . . . . . . 2066 1
53 . 1 1 87 87 ARG HB2 H 1 1.63 . . 1 . . . . . . . . 2066 1
54 . 1 1 87 87 ARG HB3 H 1 1.63 . . 1 . . . . . . . . 2066 1
55 . 1 1 87 87 ARG HE H 1 7.02 . . 1 . . . . . . . . 2066 1
56 . 1 1 89 89 LEU HA H 1 5.81 . . 1 . . . . . . . . 2066 1
57 . 1 1 89 89 LEU HD11 H 1 .71 . . 2 . . . . . . . . 2066 1
58 . 1 1 89 89 LEU HD12 H 1 .71 . . 2 . . . . . . . . 2066 1
59 . 1 1 89 89 LEU HD13 H 1 .71 . . 2 . . . . . . . . 2066 1
60 . 1 1 89 89 LEU HD21 H 1 .48 . . 2 . . . . . . . . 2066 1
61 . 1 1 89 89 LEU HD22 H 1 .48 . . 2 . . . . . . . . 2066 1
62 . 1 1 89 89 LEU HD23 H 1 .48 . . 2 . . . . . . . . 2066 1
63 . 1 1 90 90 TYR H H 1 9.39 . . 1 . . . . . . . . 2066 1
64 . 1 1 96 96 ILE HA H 1 5.65 . . 1 . . . . . . . . 2066 1
65 . 1 1 97 97 TYR H H 1 10.38 . . 1 . . . . . . . . 2066 1
66 . 1 1 100 100 THR HA H 1 5.28 . . 1 . . . . . . . . 2066 1
67 . 1 1 101 101 ASP HA H 1 4.93 . . 1 . . . . . . . . 2066 1
68 . 1 1 102 102 HIS H H 1 8.87 . . 1 . . . . . . . . 2066 1
69 . 1 1 102 102 HIS HA H 1 3.26 . . 1 . . . . . . . . 2066 1
70 . 1 1 102 102 HIS HB2 H 1 3.88 . . 2 . . . . . . . . 2066 1
71 . 1 1 102 102 HIS HB3 H 1 2.97 . . 2 . . . . . . . . 2066 1
72 . 1 1 102 102 HIS HD2 H 1 8.82 . . 1 . . . . . . . . 2066 1
73 . 1 1 102 102 HIS HE1 H 1 7.15 . . 1 . . . . . . . . 2066 1
74 . 1 1 103 103 TYR H H 1 7.39 . . 1 . . . . . . . . 2066 1
75 . 1 1 103 103 TYR HA H 1 3.39 . . 1 . . . . . . . . 2066 1
76 . 1 1 103 103 TYR HB2 H 1 3.59 . . 1 . . . . . . . . 2066 1
77 . 1 1 103 103 TYR HB3 H 1 3.59 . . 1 . . . . . . . . 2066 1
78 . 1 1 103 103 TYR HD1 H 1 6.76 . . 1 . . . . . . . . 2066 1
79 . 1 1 103 103 TYR HD2 H 1 6.76 . . 1 . . . . . . . . 2066 1
80 . 1 1 103 103 TYR HE1 H 1 6.54 . . 1 . . . . . . . . 2066 1
81 . 1 1 103 103 TYR HE2 H 1 6.54 . . 1 . . . . . . . . 2066 1
82 . 1 1 104 104 GLN H H 1 7.33 . . 1 . . . . . . . . 2066 1
83 . 1 1 105 105 THR H H 1 9.84 . . 1 . . . . . . . . 2066 1
84 . 1 1 108 108 LYS H H 1 8.94 . . 1 . . . . . . . . 2066 1
85 . 1 1 110 110 ARG H H 1 8.23 . . 1 . . . . . . . . 2066 1
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save_