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 2117
_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 . 2117 1
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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 2 2 LYS H H 1 8.356 . . 1 . . . . . . . . 2117 1
2 . 1 1 2 2 LYS HA H 1 4.22 . . 1 . . . . . . . . 2117 1
3 . 1 1 2 2 LYS HB2 H 1 1.64 . . 1 . . . . . . . . 2117 1
4 . 1 1 2 2 LYS HB3 H 1 1.64 . . 1 . . . . . . . . 2117 1
5 . 1 1 2 2 LYS HG2 H 1 1.22 . . 2 . . . . . . . . 2117 1
6 . 1 1 2 2 LYS HG3 H 1 1.19 . . 2 . . . . . . . . 2117 1
7 . 1 1 2 2 LYS HD2 H 1 1.58 . . 1 . . . . . . . . 2117 1
8 . 1 1 2 2 LYS HD3 H 1 1.58 . . 1 . . . . . . . . 2117 1
9 . 1 1 2 2 LYS HE2 H 1 2.91 . . 1 . . . . . . . . 2117 1
10 . 1 1 2 2 LYS HE3 H 1 2.91 . . 1 . . . . . . . . 2117 1
11 . 1 1 3 3 PHE H H 1 8.294 . . 1 . . . . . . . . 2117 1
12 . 1 1 3 3 PHE HA H 1 4.62 . . 1 . . . . . . . . 2117 1
13 . 1 1 3 3 PHE HB2 H 1 3.13 . . 1 . . . . . . . . 2117 1
14 . 1 1 3 3 PHE HB3 H 1 2.99 . . 1 . . . . . . . . 2117 1
15 . 1 1 3 3 PHE HD1 H 1 7.25 . . 1 . . . . . . . . 2117 1
16 . 1 1 3 3 PHE HD2 H 1 7.25 . . 1 . . . . . . . . 2117 1
17 . 1 1 3 3 PHE HZ H 1 7.34 . . 1 . . . . . . . . 2117 1
18 . 1 1 4 4 LYS H H 1 8.239 . . 1 . . . . . . . . 2117 1
19 . 1 1 4 4 LYS HA H 1 4.29 . . 1 . . . . . . . . 2117 1
20 . 1 1 4 4 LYS HB2 H 1 1.68 . . 1 . . . . . . . . 2117 1
21 . 1 1 4 4 LYS HB3 H 1 1.68 . . 1 . . . . . . . . 2117 1
22 . 1 1 4 4 LYS HG2 H 1 1.39 . . 2 . . . . . . . . 2117 1
23 . 1 1 4 4 LYS HG3 H 1 1.37 . . 2 . . . . . . . . 2117 1
24 . 1 1 4 4 LYS HD2 H 1 1.67 . . 1 . . . . . . . . 2117 1
25 . 1 1 4 4 LYS HD3 H 1 1.67 . . 1 . . . . . . . . 2117 1
26 . 1 1 4 4 LYS HE2 H 1 2.98 . . 1 . . . . . . . . 2117 1
27 . 1 1 4 4 LYS HE3 H 1 2.98 . . 1 . . . . . . . . 2117 1
28 . 1 1 5 5 ARG H H 1 8.463 . . 1 . . . . . . . . 2117 1
29 . 1 1 5 5 ARG HA H 1 4.52 . . 1 . . . . . . . . 2117 1
30 . 1 1 5 5 ARG HB2 H 1 1.84 . . 2 . . . . . . . . 2117 1
31 . 1 1 5 5 ARG HB3 H 1 1.72 . . 2 . . . . . . . . 2117 1
32 . 1 1 5 5 ARG HG2 H 1 1.69 . . 1 . . . . . . . . 2117 1
33 . 1 1 5 5 ARG HG3 H 1 1.69 . . 1 . . . . . . . . 2117 1
34 . 1 1 5 5 ARG HD2 H 1 3.19 . . 1 . . . . . . . . 2117 1
35 . 1 1 5 5 ARG HD3 H 1 3.19 . . 1 . . . . . . . . 2117 1
36 . 1 1 6 6 PRO HA H 1 4.69 . . 1 . . . . . . . . 2117 1
37 . 1 1 6 6 PRO HB2 H 1 1.88 . . 1 . . . . . . . . 2117 1
38 . 1 1 6 6 PRO HB3 H 1 2.37 . . 1 . . . . . . . . 2117 1
39 . 1 1 6 6 PRO HG2 H 1 2.04 . . 1 . . . . . . . . 2117 1
40 . 1 1 6 6 PRO HG3 H 1 2.04 . . 1 . . . . . . . . 2117 1
41 . 1 1 6 6 PRO HD2 H 1 3.86 . . 1 . . . . . . . . 2117 1
42 . 1 1 6 6 PRO HD3 H 1 3.65 . . 1 . . . . . . . . 2117 1
43 . 1 1 7 7 PRO HA H 1 4.41 . . 1 . . . . . . . . 2117 1
44 . 1 1 7 7 PRO HB2 H 1 1.84 . . 1 . . . . . . . . 2117 1
45 . 1 1 7 7 PRO HB3 H 1 2.27 . . 1 . . . . . . . . 2117 1
46 . 1 1 7 7 PRO HG2 H 1 2 . . 1 . . . . . . . . 2117 1
47 . 1 1 7 7 PRO HG3 H 1 2 . . 1 . . . . . . . . 2117 1
48 . 1 1 7 7 PRO HD2 H 1 3.78 . . 1 . . . . . . . . 2117 1
49 . 1 1 7 7 PRO HD3 H 1 3.62 . . 1 . . . . . . . . 2117 1
50 . 1 1 8 8 LEU H H 1 8.43 . . 1 . . . . . . . . 2117 1
51 . 1 1 8 8 LEU HA H 1 4.26 . . 1 . . . . . . . . 2117 1
52 . 1 1 8 8 LEU HB2 H 1 1.63 . . 1 . . . . . . . . 2117 1
53 . 1 1 8 8 LEU HB3 H 1 1.63 . . 1 . . . . . . . . 2117 1
54 . 1 1 8 8 LEU HG H 1 1.63 . . 1 . . . . . . . . 2117 1
55 . 1 1 8 8 LEU HD11 H 1 .93 . . 2 . . . . . . . . 2117 1
56 . 1 1 8 8 LEU HD12 H 1 .93 . . 2 . . . . . . . . 2117 1
57 . 1 1 8 8 LEU HD13 H 1 .93 . . 2 . . . . . . . . 2117 1
58 . 1 1 8 8 LEU HD21 H 1 .88 . . 2 . . . . . . . . 2117 1
59 . 1 1 8 8 LEU HD22 H 1 .88 . . 2 . . . . . . . . 2117 1
60 . 1 1 8 8 LEU HD23 H 1 .88 . . 2 . . . . . . . . 2117 1
61 . 1 1 9 9 ARG H H 1 8.484 . . 1 . . . . . . . . 2117 1
62 . 1 1 9 9 ARG HA H 1 4.34 . . 1 . . . . . . . . 2117 1
63 . 1 1 9 9 ARG HB2 H 1 1.82 . . 2 . . . . . . . . 2117 1
64 . 1 1 9 9 ARG HB3 H 1 1.75 . . 2 . . . . . . . . 2117 1
65 . 1 1 9 9 ARG HG2 H 1 1.58 . . 1 . . . . . . . . 2117 1
66 . 1 1 9 9 ARG HG3 H 1 1.58 . . 1 . . . . . . . . 2117 1
67 . 1 1 9 9 ARG HD2 H 1 3.19 . . 1 . . . . . . . . 2117 1
68 . 1 1 9 9 ARG HD3 H 1 3.19 . . 1 . . . . . . . . 2117 1
69 . 1 1 10 10 ARG H H 1 8.552 . . 1 . . . . . . . . 2117 1
70 . 1 1 10 10 ARG HA H 1 4.36 . . 1 . . . . . . . . 2117 1
71 . 1 1 10 10 ARG HB2 H 1 1.82 . . 2 . . . . . . . . 2117 1
72 . 1 1 10 10 ARG HB3 H 1 1.75 . . 2 . . . . . . . . 2117 1
73 . 1 1 10 10 ARG HG2 H 1 1.62 . . 1 . . . . . . . . 2117 1
74 . 1 1 10 10 ARG HG3 H 1 1.62 . . 1 . . . . . . . . 2117 1
75 . 1 1 10 10 ARG HD2 H 1 3.19 . . 1 . . . . . . . . 2117 1
76 . 1 1 10 10 ARG HD3 H 1 3.19 . . 1 . . . . . . . . 2117 1
77 . 1 1 11 11 VAL H H 1 8.419 . . 1 . . . . . . . . 2117 1
78 . 1 1 11 11 VAL HA H 1 4.11 . . 1 . . . . . . . . 2117 1
79 . 1 1 11 11 VAL HB H 1 2.06 . . 1 . . . . . . . . 2117 1
80 . 1 1 11 11 VAL HG11 H 1 .93 . . 1 . . . . . . . . 2117 1
81 . 1 1 11 11 VAL HG12 H 1 .93 . . 1 . . . . . . . . 2117 1
82 . 1 1 11 11 VAL HG13 H 1 .93 . . 1 . . . . . . . . 2117 1
83 . 1 1 11 11 VAL HG21 H 1 .93 . . 1 . . . . . . . . 2117 1
84 . 1 1 11 11 VAL HG22 H 1 .93 . . 1 . . . . . . . . 2117 1
85 . 1 1 11 11 VAL HG23 H 1 .93 . . 1 . . . . . . . . 2117 1
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