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 302
_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 . 302 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 ALA_SUC H H 1 8.53 . . 1 . . . . . . . . 302 1
2 . 1 1 1 1 ALA_SUC HA H 1 4.23 . . 1 . . . . . . . . 302 1
3 . 1 1 1 1 ALA_SUC HB1 H 1 1.4 . . 1 . . . . . . . . 302 1
4 . 1 1 1 1 ALA_SUC HB2 H 1 1.4 . . 1 . . . . . . . . 302 1
5 . 1 1 1 1 ALA_SUC HB3 H 1 1.4 . . 1 . . . . . . . . 302 1
6 . 1 1 1 1 ALA_SUC SUC_HA2 H 1 2.55 . . 2 . . . . . . . . 302 1
7 . 1 1 1 1 ALA_SUC SUC_HA3 H 1 2.56 . . 2 . . . . . . . . 302 1
8 . 1 1 2 2 GLU H H 1 8.63 . . 1 . . . . . . . . 302 1
9 . 1 1 2 2 GLU HA H 1 4.34 . . 1 . . . . . . . . 302 1
10 . 1 1 2 2 GLU HB2 H 1 2.02 . . 2 . . . . . . . . 302 1
11 . 1 1 2 2 GLU HB3 H 1 2.09 . . 2 . . . . . . . . 302 1
12 . 1 1 2 2 GLU HG2 H 1 2.33 . . 1 . . . . . . . . 302 1
13 . 1 1 2 2 GLU HG3 H 1 2.33 . . 1 . . . . . . . . 302 1
14 . 1 1 3 3 THR H H 1 8.14 . . 1 . . . . . . . . 302 1
15 . 1 1 3 3 THR HA H 1 4.24 . . 1 . . . . . . . . 302 1
16 . 1 1 3 3 THR HB H 1 4.47 . . 1 . . . . . . . . 302 1
17 . 1 1 3 3 THR HG21 H 1 1.31 . . 1 . . . . . . . . 302 1
18 . 1 1 3 3 THR HG22 H 1 1.31 . . 1 . . . . . . . . 302 1
19 . 1 1 3 3 THR HG23 H 1 1.31 . . 1 . . . . . . . . 302 1
20 . 1 1 4 4 ALA H H 1 8.57 . . 1 . . . . . . . . 302 1
21 . 1 1 4 4 ALA HA H 1 4.13 . . 1 . . . . . . . . 302 1
22 . 1 1 4 4 ALA HB1 H 1 1.47 . . 1 . . . . . . . . 302 1
23 . 1 1 4 4 ALA HB2 H 1 1.47 . . 1 . . . . . . . . 302 1
24 . 1 1 4 4 ALA HB3 H 1 1.47 . . 1 . . . . . . . . 302 1
25 . 1 1 5 5 ALA H H 1 8.43 . . 1 . . . . . . . . 302 1
26 . 1 1 5 5 ALA HA H 1 4.23 . . 1 . . . . . . . . 302 1
27 . 1 1 5 5 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 302 1
28 . 1 1 5 5 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 302 1
29 . 1 1 5 5 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 302 1
30 . 1 1 6 6 ALA H H 1 8.04 . . 1 . . . . . . . . 302 1
31 . 1 1 6 6 ALA HA H 1 4.19 . . 1 . . . . . . . . 302 1
32 . 1 1 6 6 ALA HB1 H 1 1.51 . . 1 . . . . . . . . 302 1
33 . 1 1 6 6 ALA HB2 H 1 1.51 . . 1 . . . . . . . . 302 1
34 . 1 1 6 6 ALA HB3 H 1 1.51 . . 1 . . . . . . . . 302 1
35 . 1 1 7 7 LYS H H 1 8.24 . . 1 . . . . . . . . 302 1
36 . 1 1 7 7 LYS HA H 1 4 . . 1 . . . . . . . . 302 1
37 . 1 1 7 7 LYS HB2 H 1 1.83 . . 1 . . . . . . . . 302 1
38 . 1 1 7 7 LYS HB3 H 1 1.83 . . 1 . . . . . . . . 302 1
39 . 1 1 7 7 LYS HG2 H 1 3.99 . . 1 . . . . . . . . 302 1
40 . 1 1 7 7 LYS HG3 H 1 3.99 . . 1 . . . . . . . . 302 1
41 . 1 1 7 7 LYS HD2 H 1 1.64 . . 1 . . . . . . . . 302 1
42 . 1 1 7 7 LYS HD3 H 1 1.64 . . 1 . . . . . . . . 302 1
43 . 1 1 7 7 LYS HE2 H 1 2.93 . . 1 . . . . . . . . 302 1
44 . 1 1 7 7 LYS HE3 H 1 2.93 . . 1 . . . . . . . . 302 1
45 . 1 1 7 7 LYS HZ1 H 1 7.66 . . 1 . . . . . . . . 302 1
46 . 1 1 7 7 LYS HZ2 H 1 7.66 . . 1 . . . . . . . . 302 1
47 . 1 1 7 7 LYS HZ3 H 1 7.66 . . 1 . . . . . . . . 302 1
48 . 1 1 8 8 PHE H H 1 8.18 . . 1 . . . . . . . . 302 1
49 . 1 1 8 8 PHE HA H 1 4.4 . . 1 . . . . . . . . 302 1
50 . 1 1 8 8 PHE HB2 H 1 3.17 . . 2 . . . . . . . . 302 1
51 . 1 1 8 8 PHE HB3 H 1 3.23 . . 2 . . . . . . . . 302 1
52 . 1 1 8 8 PHE HD1 H 1 7.24 . . 1 . . . . . . . . 302 1
53 . 1 1 8 8 PHE HD2 H 1 7.24 . . 1 . . . . . . . . 302 1
54 . 1 1 8 8 PHE HE1 H 1 7.12 . . 1 . . . . . . . . 302 1
55 . 1 1 8 8 PHE HE2 H 1 7.12 . . 1 . . . . . . . . 302 1
56 . 1 1 8 8 PHE HZ H 1 7.23 . . 1 . . . . . . . . 302 1
57 . 1 1 9 9 LEU H H 1 8.13 . . 1 . . . . . . . . 302 1
58 . 1 1 9 9 LEU HA H 1 4.17 . . 1 . . . . . . . . 302 1
59 . 1 1 9 9 LEU HB2 H 1 1.68 . . 1 . . . . . . . . 302 1
60 . 1 1 9 9 LEU HB3 H 1 1.68 . . 1 . . . . . . . . 302 1
61 . 1 1 9 9 LEU HG H 1 1.8 . . 1 . . . . . . . . 302 1
62 . 1 1 9 9 LEU HD11 H 1 .96 . . 1 . . . . . . . . 302 1
63 . 1 1 9 9 LEU HD12 H 1 .96 . . 1 . . . . . . . . 302 1
64 . 1 1 9 9 LEU HD13 H 1 .96 . . 1 . . . . . . . . 302 1
65 . 1 1 9 9 LEU HD21 H 1 .96 . . 1 . . . . . . . . 302 1
66 . 1 1 9 9 LEU HD22 H 1 .96 . . 1 . . . . . . . . 302 1
67 . 1 1 9 9 LEU HD23 H 1 .96 . . 1 . . . . . . . . 302 1
68 . 1 1 10 10 ARG H H 1 7.99 . . 1 . . . . . . . . 302 1
69 . 1 1 10 10 ARG HA H 1 4.17 . . 1 . . . . . . . . 302 1
70 . 1 1 10 10 ARG HB2 H 1 1.88 . . 1 . . . . . . . . 302 1
71 . 1 1 10 10 ARG HB3 H 1 1.88 . . 1 . . . . . . . . 302 1
72 . 1 1 10 10 ARG HG2 H 1 1.74 . . 2 . . . . . . . . 302 1
73 . 1 1 10 10 ARG HG3 H 1 1.64 . . 2 . . . . . . . . 302 1
74 . 1 1 10 10 ARG HD2 H 1 3.23 . . 1 . . . . . . . . 302 1
75 . 1 1 10 10 ARG HD3 H 1 3.23 . . 1 . . . . . . . . 302 1
76 . 1 1 10 10 ARG HE H 1 7.68 . . 1 . . . . . . . . 302 1
77 . 1 1 11 11 ALA H H 1 7.95 . . 1 . . . . . . . . 302 1
78 . 1 1 11 11 ALA HA H 1 4.19 . . 1 . . . . . . . . 302 1
79 . 1 1 11 11 ALA HB1 H 1 1.3 . . 1 . . . . . . . . 302 1
80 . 1 1 11 11 ALA HB2 H 1 1.3 . . 1 . . . . . . . . 302 1
81 . 1 1 11 11 ALA HB3 H 1 1.3 . . 1 . . . . . . . . 302 1
82 . 1 1 12 12 HIS H H 1 8.01 . . 1 . . . . . . . . 302 1
83 . 1 1 12 12 HIS HA H 1 4.56 . . 1 . . . . . . . . 302 1
84 . 1 1 12 12 HIS HB2 H 1 2.87 . . 2 . . . . . . . . 302 1
85 . 1 1 12 12 HIS HB3 H 1 3.27 . . 2 . . . . . . . . 302 1
86 . 1 1 12 12 HIS HD2 H 1 7.06 . . 1 . . . . . . . . 302 1
87 . 1 1 12 12 HIS HE1 H 1 8.36 . . 1 . . . . . . . . 302 1
88 . 1 1 13 13 ALA H H 1 8.02 . . 1 . . . . . . . . 302 1
89 . 1 1 13 13 ALA HA H 1 4.26 . . 1 . . . . . . . . 302 1
90 . 1 1 13 13 ALA HB1 H 1 1.42 . . 1 . . . . . . . . 302 1
91 . 1 1 13 13 ALA HB2 H 1 1.42 . . 1 . . . . . . . . 302 1
92 . 1 1 13 13 ALA HB3 H 1 1.42 . . 1 . . . . . . . . 302 1
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save_