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 517
_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 . 517 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 CYS HA H 1 4.29 . . 1 . . . . . . . . 517 1
2 . 1 1 1 1 CYS HB2 H 1 3.09 . . 2 . . . . . . . . 517 1
3 . 1 1 1 1 CYS HB3 H 1 3.21 . . 2 . . . . . . . . 517 1
4 . 1 1 2 2 PHE H H 1 8.98 . . 1 . . . . . . . . 517 1
5 . 1 1 2 2 PHE HA H 1 4.64 . . 1 . . . . . . . . 517 1
6 . 1 1 2 2 PHE HB2 H 1 3.01 . . 1 . . . . . . . . 517 1
7 . 1 1 2 2 PHE HB3 H 1 3.01 . . 1 . . . . . . . . 517 1
8 . 1 1 2 2 PHE HD1 H 1 7.3 . . 1 . . . . . . . . 517 1
9 . 1 1 2 2 PHE HD2 H 1 7.3 . . 1 . . . . . . . . 517 1
10 . 1 1 2 2 PHE HE1 H 1 7.3 . . 1 . . . . . . . . 517 1
11 . 1 1 2 2 PHE HE2 H 1 7.3 . . 1 . . . . . . . . 517 1
12 . 1 1 2 2 PHE HZ H 1 7.3 . . 1 . . . . . . . . 517 1
13 . 1 1 3 3 HIS H H 1 8.62 . . 1 . . . . . . . . 517 1
14 . 1 1 3 3 HIS HA H 1 4.58 . . 1 . . . . . . . . 517 1
15 . 1 1 3 3 HIS HB2 H 1 3.05 . . 2 . . . . . . . . 517 1
16 . 1 1 3 3 HIS HB3 H 1 3.16 . . 2 . . . . . . . . 517 1
17 . 1 1 3 3 HIS HD2 H 1 7.2 . . 1 . . . . . . . . 517 1
18 . 1 1 3 3 HIS HE1 H 1 8.56 . . 1 . . . . . . . . 517 1
19 . 1 1 4 4 GLY H H 1 7.77 . . 1 . . . . . . . . 517 1
20 . 1 1 4 4 GLY HA2 H 1 3.91 . . 1 . . . . . . . . 517 1
21 . 1 1 4 4 GLY HA3 H 1 3.91 . . 1 . . . . . . . . 517 1
22 . 1 1 5 5 THR H H 1 8.16 . . 1 . . . . . . . . 517 1
23 . 1 1 5 5 THR HA H 1 4.3 . . 1 . . . . . . . . 517 1
24 . 1 1 5 5 THR HB H 1 4.26 . . 1 . . . . . . . . 517 1
25 . 1 1 5 5 THR HG21 H 1 1.2 . . 1 . . . . . . . . 517 1
26 . 1 1 5 5 THR HG22 H 1 1.2 . . 1 . . . . . . . . 517 1
27 . 1 1 5 5 THR HG23 H 1 1.2 . . 1 . . . . . . . . 517 1
28 . 1 1 6 6 ALA H H 1 8.31 . . 1 . . . . . . . . 517 1
29 . 1 1 6 6 ALA HA H 1 4.24 . . 1 . . . . . . . . 517 1
30 . 1 1 6 6 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 517 1
31 . 1 1 6 6 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 517 1
32 . 1 1 6 6 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 517 1
33 . 1 1 7 7 ARG H H 1 8.22 . . 1 . . . . . . . . 517 1
34 . 1 1 7 7 ARG HA H 1 4.14 . . 1 . . . . . . . . 517 1
35 . 1 1 7 7 ARG HB2 H 1 1.61 . . 1 . . . . . . . . 517 1
36 . 1 1 7 7 ARG HB3 H 1 1.61 . . 1 . . . . . . . . 517 1
37 . 1 1 7 7 ARG HG2 H 1 1.41 . . 1 . . . . . . . . 517 1
38 . 1 1 7 7 ARG HG3 H 1 1.41 . . 1 . . . . . . . . 517 1
39 . 1 1 7 7 ARG HD2 H 1 3.07 . . 1 . . . . . . . . 517 1
40 . 1 1 7 7 ARG HD3 H 1 3.07 . . 1 . . . . . . . . 517 1
41 . 1 1 7 7 ARG HE H 1 7.1 . . 1 . . . . . . . . 517 1
42 . 1 1 8 8 PHE H H 1 8 . . 1 . . . . . . . . 517 1
43 . 1 1 8 8 PHE HA H 1 4.57 . . 1 . . . . . . . . 517 1
44 . 1 1 8 8 PHE HB2 H 1 3.11 . . 2 . . . . . . . . 517 1
45 . 1 1 8 8 PHE HB3 H 1 2.98 . . 2 . . . . . . . . 517 1
46 . 1 1 8 8 PHE HD1 H 1 7.2 . . 1 . . . . . . . . 517 1
47 . 1 1 8 8 PHE HD2 H 1 7.2 . . 1 . . . . . . . . 517 1
48 . 1 1 8 8 PHE HE1 H 1 7.2 . . 1 . . . . . . . . 517 1
49 . 1 1 8 8 PHE HE2 H 1 7.2 . . 1 . . . . . . . . 517 1
50 . 1 1 8 8 PHE HZ H 1 7.2 . . 1 . . . . . . . . 517 1
51 . 1 1 9 9 LEU H H 1 8.07 . . 1 . . . . . . . . 517 1
52 . 1 1 9 9 LEU HA H 1 4.27 . . 1 . . . . . . . . 517 1
53 . 1 1 9 9 LEU HB2 H 1 1.53 . . 1 . . . . . . . . 517 1
54 . 1 1 9 9 LEU HB3 H 1 1.53 . . 1 . . . . . . . . 517 1
55 . 1 1 9 9 LEU HG H 1 1.6 . . 1 . . . . . . . . 517 1
56 . 1 1 9 9 LEU HD11 H 1 .83 . . 1 . . . . . . . . 517 1
57 . 1 1 9 9 LEU HD12 H 1 .83 . . 1 . . . . . . . . 517 1
58 . 1 1 9 9 LEU HD13 H 1 .83 . . 1 . . . . . . . . 517 1
59 . 1 1 9 9 LEU HD21 H 1 .83 . . 1 . . . . . . . . 517 1
60 . 1 1 9 9 LEU HD22 H 1 .83 . . 1 . . . . . . . . 517 1
61 . 1 1 9 9 LEU HD23 H 1 .83 . . 1 . . . . . . . . 517 1
62 . 1 1 10 10 VAL H H 1 8 . . 1 . . . . . . . . 517 1
63 . 1 1 10 10 VAL HA H 1 4.01 . . 1 . . . . . . . . 517 1
64 . 1 1 10 10 VAL HB H 1 2.03 . . 1 . . . . . . . . 517 1
65 . 1 1 10 10 VAL HG11 H 1 .92 . . 1 . . . . . . . . 517 1
66 . 1 1 10 10 VAL HG12 H 1 .92 . . 1 . . . . . . . . 517 1
67 . 1 1 10 10 VAL HG13 H 1 .92 . . 1 . . . . . . . . 517 1
68 . 1 1 10 10 VAL HG21 H 1 .92 . . 1 . . . . . . . . 517 1
69 . 1 1 10 10 VAL HG22 H 1 .92 . . 1 . . . . . . . . 517 1
70 . 1 1 10 10 VAL HG23 H 1 .92 . . 1 . . . . . . . . 517 1
71 . 1 1 11 11 GLN H H 1 8.37 . . 1 . . . . . . . . 517 1
72 . 1 1 11 11 GLN HA H 1 4.24 . . 1 . . . . . . . . 517 1
73 . 1 1 11 11 GLN HB2 H 1 2 . . 1 . . . . . . . . 517 1
74 . 1 1 11 11 GLN HB3 H 1 2 . . 1 . . . . . . . . 517 1
75 . 1 1 11 11 GLN HG2 H 1 2.31 . . 1 . . . . . . . . 517 1
76 . 1 1 11 11 GLN HG3 H 1 2.31 . . 1 . . . . . . . . 517 1
77 . 1 1 12 12 GLU H H 1 8.22 . . 1 . . . . . . . . 517 1
78 . 1 1 12 12 GLU HA H 1 4.24 . . 1 . . . . . . . . 517 1
79 . 1 1 12 12 GLU HB2 H 1 1.92 . . 2 . . . . . . . . 517 1
80 . 1 1 12 12 GLU HB3 H 1 2.04 . . 2 . . . . . . . . 517 1
81 . 1 1 12 12 GLU HG2 H 1 2.38 . . 1 . . . . . . . . 517 1
82 . 1 1 12 12 GLU HG3 H 1 2.38 . . 1 . . . . . . . . 517 1
83 . 1 1 13 13 ASP H H 1 8.34 . . 1 . . . . . . . . 517 1
84 . 1 1 13 13 ASP HA H 1 4.57 . . 1 . . . . . . . . 517 1
85 . 1 1 13 13 ASP HB2 H 1 2.83 . . 2 . . . . . . . . 517 1
86 . 1 1 13 13 ASP HB3 H 1 2.94 . . 2 . . . . . . . . 517 1
87 . 1 1 14 14 LYS H H 1 7.92 . . 1 . . . . . . . . 517 1
88 . 1 1 14 14 LYS HA H 1 4.57 . . 1 . . . . . . . . 517 1
89 . 1 1 14 14 LYS HB2 H 1 1.63 . . 2 . . . . . . . . 517 1
90 . 1 1 14 14 LYS HB3 H 1 1.73 . . 2 . . . . . . . . 517 1
91 . 1 1 14 14 LYS HG2 H 1 1.35 . . 1 . . . . . . . . 517 1
92 . 1 1 14 14 LYS HG3 H 1 1.35 . . 1 . . . . . . . . 517 1
93 . 1 1 14 14 LYS HD2 H 1 1.61 . . 1 . . . . . . . . 517 1
94 . 1 1 14 14 LYS HD3 H 1 1.61 . . 1 . . . . . . . . 517 1
95 . 1 1 14 14 LYS HE2 H 1 2.94 . . 1 . . . . . . . . 517 1
96 . 1 1 14 14 LYS HE3 H 1 2.94 . . 1 . . . . . . . . 517 1
97 . 1 1 14 14 LYS HZ1 H 1 7.51 . . 1 . . . . . . . . 517 1
98 . 1 1 14 14 LYS HZ2 H 1 7.51 . . 1 . . . . . . . . 517 1
99 . 1 1 14 14 LYS HZ3 H 1 7.51 . . 1 . . . . . . . . 517 1
100 . 1 1 15 15 PRO HA H 1 4.39 . . 1 . . . . . . . . 517 1
101 . 1 1 15 15 PRO HB2 H 1 1.96 . . 2 . . . . . . . . 517 1
102 . 1 1 15 15 PRO HB3 H 1 2.25 . . 2 . . . . . . . . 517 1
103 . 1 1 15 15 PRO HG2 H 1 1.96 . . 1 . . . . . . . . 517 1
104 . 1 1 15 15 PRO HG3 H 1 1.96 . . 1 . . . . . . . . 517 1
105 . 1 1 15 15 PRO HD2 H 1 3.69 . . 2 . . . . . . . . 517 1
106 . 1 1 15 15 PRO HD3 H 1 3.75 . . 2 . . . . . . . . 517 1
107 . 1 1 16 16 ALA H H 1 8.42 . . 1 . . . . . . . . 517 1
108 . 1 1 16 16 ALA HA H 1 4.33 . . 1 . . . . . . . . 517 1
109 . 1 1 16 16 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 517 1
110 . 1 1 16 16 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 517 1
111 . 1 1 16 16 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 517 1
112 . 1 1 17 17 CYS H H 1 8.16 . . 1 . . . . . . . . 517 1
113 . 1 1 17 17 CYS HA H 1 4.53 . . 1 . . . . . . . . 517 1
114 . 1 1 17 17 CYS HB2 H 1 3.05 . . 2 . . . . . . . . 517 1
115 . 1 1 17 17 CYS HB3 H 1 3.24 . . 2 . . . . . . . . 517 1
stop_
save_