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 6
_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 . 6 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 4.55 . . 1 . . . . . . . . 6 1
2 . 1 1 1 1 CYS HB2 H 1 3.23 . . 2 . . . . . . . . 6 1
3 . 1 1 1 1 CYS HB3 H 1 3.1 . . 2 . . . . . . . . 6 1
4 . 1 1 2 2 ASN H H 1 9.11 . . 1 . . . . . . . . 6 1
5 . 1 1 2 2 ASN HA H 1 4.84 . . 1 . . . . . . . . 6 1
6 . 1 1 2 2 ASN HB2 H 1 2.74 . . 2 . . . . . . . . 6 1
7 . 1 1 2 2 ASN HB3 H 1 3.05 . . 2 . . . . . . . . 6 1
8 . 1 1 3 3 CYS H H 1 9 . . 1 . . . . . . . . 6 1
9 . 1 1 3 3 CYS HA H 1 4.63 . . 1 . . . . . . . . 6 1
10 . 1 1 3 3 CYS HB2 H 1 3.3 . . 2 . . . . . . . . 6 1
11 . 1 1 3 3 CYS HB3 H 1 2.75 . . 2 . . . . . . . . 6 1
12 . 1 1 4 4 LYS H H 1 8.02 . . 1 . . . . . . . . 6 1
13 . 1 1 4 4 LYS HA H 1 4.2 . . 1 . . . . . . . . 6 1
14 . 1 1 4 4 LYS HB2 H 1 1.85 . . 1 . . . . . . . . 6 1
15 . 1 1 4 4 LYS HB3 H 1 1.85 . . 1 . . . . . . . . 6 1
16 . 1 1 4 4 LYS HG2 H 1 1.45 . . 1 . . . . . . . . 6 1
17 . 1 1 4 4 LYS HG3 H 1 1.45 . . 1 . . . . . . . . 6 1
18 . 1 1 4 4 LYS HD2 H 1 1.68 . . 1 . . . . . . . . 6 1
19 . 1 1 4 4 LYS HD3 H 1 1.68 . . 1 . . . . . . . . 6 1
20 . 1 1 4 4 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 6 1
21 . 1 1 4 4 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 6 1
22 . 1 1 4 4 LYS HZ1 H 1 7.5 . . 1 . . . . . . . . 6 1
23 . 1 1 4 4 LYS HZ2 H 1 7.5 . . 1 . . . . . . . . 6 1
24 . 1 1 4 4 LYS HZ3 H 1 7.5 . . 1 . . . . . . . . 6 1
25 . 1 1 5 5 ALA H H 1 7.24 . . 1 . . . . . . . . 6 1
26 . 1 1 5 5 ALA HA H 1 4.52 . . 1 . . . . . . . . 6 1
27 . 1 1 5 5 ALA HB1 H 1 1.16 . . 1 . . . . . . . . 6 1
28 . 1 1 5 5 ALA HB2 H 1 1.16 . . 1 . . . . . . . . 6 1
29 . 1 1 5 5 ALA HB3 H 1 1.16 . . 1 . . . . . . . . 6 1
30 . 1 1 6 6 PRO HA H 1 4.4 . . 1 . . . . . . . . 6 1
31 . 1 1 6 6 PRO HB2 H 1 2.31 . . 1 . . . . . . . . 6 1
32 . 1 1 6 6 PRO HB3 H 1 2.31 . . 1 . . . . . . . . 6 1
33 . 1 1 6 6 PRO HG2 H 1 1.98 . . 2 . . . . . . . . 6 1
34 . 1 1 6 6 PRO HG3 H 1 2.14 . . 2 . . . . . . . . 6 1
35 . 1 1 6 6 PRO HD2 H 1 3.44 . . 2 . . . . . . . . 6 1
36 . 1 1 6 6 PRO HD3 H 1 3.55 . . 2 . . . . . . . . 6 1
37 . 1 1 7 7 GLU H H 1 9.05 . . 1 . . . . . . . . 6 1
38 . 1 1 7 7 GLU HA H 1 4.39 . . 1 . . . . . . . . 6 1
39 . 1 1 7 7 GLU HB2 H 1 2.16 . . 1 . . . . . . . . 6 1
40 . 1 1 7 7 GLU HB3 H 1 2.16 . . 1 . . . . . . . . 6 1
41 . 1 1 7 7 GLU HG2 H 1 2.31 . . 1 . . . . . . . . 6 1
42 . 1 1 7 7 GLU HG3 H 1 2.31 . . 1 . . . . . . . . 6 1
43 . 1 1 8 8 THR H H 1 7.43 . . 1 . . . . . . . . 6 1
44 . 1 1 8 8 THR HA H 1 4.6 . . 1 . . . . . . . . 6 1
45 . 1 1 8 8 THR HB H 1 4.66 . . 1 . . . . . . . . 6 1
46 . 1 1 8 8 THR HG21 H 1 1.25 . . 1 . . . . . . . . 6 1
47 . 1 1 8 8 THR HG22 H 1 1.25 . . 1 . . . . . . . . 6 1
48 . 1 1 8 8 THR HG23 H 1 1.25 . . 1 . . . . . . . . 6 1
49 . 1 1 9 9 ALA H H 1 8.93 . . 1 . . . . . . . . 6 1
50 . 1 1 9 9 ALA HA H 1 4.14 . . 1 . . . . . . . . 6 1
51 . 1 1 9 9 ALA HB1 H 1 1.44 . . 1 . . . . . . . . 6 1
52 . 1 1 9 9 ALA HB2 H 1 1.44 . . 1 . . . . . . . . 6 1
53 . 1 1 9 9 ALA HB3 H 1 1.44 . . 1 . . . . . . . . 6 1
54 . 1 1 10 10 LEU H H 1 8.28 . . 1 . . . . . . . . 6 1
55 . 1 1 10 10 LEU HA H 1 4.07 . . 1 . . . . . . . . 6 1
56 . 1 1 10 10 LEU HB2 H 1 1.62 . . 1 . . . . . . . . 6 1
57 . 1 1 10 10 LEU HB3 H 1 1.62 . . 1 . . . . . . . . 6 1
58 . 1 1 10 10 LEU HG H 1 1.57 . . 1 . . . . . . . . 6 1
59 . 1 1 10 10 LEU HD11 H 1 .88 . . 2 . . . . . . . . 6 1
60 . 1 1 10 10 LEU HD12 H 1 .88 . . 2 . . . . . . . . 6 1
61 . 1 1 10 10 LEU HD13 H 1 .88 . . 2 . . . . . . . . 6 1
62 . 1 1 10 10 LEU HD21 H 1 .92 . . 2 . . . . . . . . 6 1
63 . 1 1 10 10 LEU HD22 H 1 .92 . . 2 . . . . . . . . 6 1
64 . 1 1 10 10 LEU HD23 H 1 .92 . . 2 . . . . . . . . 6 1
65 . 1 1 11 11 CYS H H 1 7.75 . . 1 . . . . . . . . 6 1
66 . 1 1 11 11 CYS HA H 1 4.52 . . 1 . . . . . . . . 6 1
67 . 1 1 11 11 CYS HB2 H 1 2.74 . . 2 . . . . . . . . 6 1
68 . 1 1 11 11 CYS HB3 H 1 3.16 . . 2 . . . . . . . . 6 1
69 . 1 1 12 12 ALA H H 1 8.44 . . 1 . . . . . . . . 6 1
70 . 1 1 12 12 ALA HA H 1 3.81 . . 1 . . . . . . . . 6 1
71 . 1 1 12 12 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 6 1
72 . 1 1 12 12 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 6 1
73 . 1 1 12 12 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 6 1
74 . 1 1 13 13 ARG H H 1 8.21 . . 1 . . . . . . . . 6 1
75 . 1 1 13 13 ARG HA H 1 4.08 . . 1 . . . . . . . . 6 1
76 . 1 1 13 13 ARG HB2 H 1 1.92 . . 1 . . . . . . . . 6 1
77 . 1 1 13 13 ARG HB3 H 1 1.92 . . 1 . . . . . . . . 6 1
78 . 1 1 13 13 ARG HG2 H 1 1.7 . . 1 . . . . . . . . 6 1
79 . 1 1 13 13 ARG HG3 H 1 1.7 . . 1 . . . . . . . . 6 1
80 . 1 1 13 13 ARG HD2 H 1 3.15 . . 1 . . . . . . . . 6 1
81 . 1 1 13 13 ARG HD3 H 1 3.15 . . 1 . . . . . . . . 6 1
82 . 1 1 13 13 ARG HE H 1 7.2 . . 1 . . . . . . . . 6 1
83 . 1 1 13 13 ARG HH11 H 1 6.65 . . 1 . . . . . . . . 6 1
84 . 1 1 13 13 ARG HH12 H 1 6.65 . . 1 . . . . . . . . 6 1
85 . 1 1 13 13 ARG HH21 H 1 6.65 . . 1 . . . . . . . . 6 1
86 . 1 1 13 13 ARG HH22 H 1 6.65 . . 1 . . . . . . . . 6 1
87 . 1 1 14 14 ARG H H 1 7.96 . . 1 . . . . . . . . 6 1
88 . 1 1 14 14 ARG HA H 1 4.08 . . 1 . . . . . . . . 6 1
89 . 1 1 14 14 ARG HB2 H 1 1.98 . . 1 . . . . . . . . 6 1
90 . 1 1 14 14 ARG HB3 H 1 1.98 . . 1 . . . . . . . . 6 1
91 . 1 1 14 14 ARG HG2 H 1 1.74 . . 1 . . . . . . . . 6 1
92 . 1 1 14 14 ARG HG3 H 1 1.74 . . 1 . . . . . . . . 6 1
93 . 1 1 14 14 ARG HD2 H 1 3.16 . . 1 . . . . . . . . 6 1
94 . 1 1 14 14 ARG HD3 H 1 3.16 . . 1 . . . . . . . . 6 1
95 . 1 1 14 14 ARG HE H 1 7.22 . . 1 . . . . . . . . 6 1
96 . 1 1 14 14 ARG HH11 H 1 6.65 . . 1 . . . . . . . . 6 1
97 . 1 1 14 14 ARG HH21 H 1 6.65 . . 1 . . . . . . . . 6 1
98 . 1 1 14 14 ARG HH22 H 1 6.65 . . 1 . . . . . . . . 6 1
99 . 1 1 15 15 CYS H H 1 8.35 . . 1 . . . . . . . . 6 1
100 . 1 1 15 15 CYS HA H 1 4.38 . . 1 . . . . . . . . 6 1
101 . 1 1 15 15 CYS HB2 H 1 2.99 . . 1 . . . . . . . . 6 1
102 . 1 1 15 15 CYS HB3 H 1 2.99 . . 1 . . . . . . . . 6 1
103 . 1 1 16 16 GLN H H 1 7.65 . . 1 . . . . . . . . 6 1
104 . 1 1 16 16 GLN HA H 1 4.2 . . 1 . . . . . . . . 6 1
105 . 1 1 16 16 GLN HB2 H 1 2.15 . . 1 . . . . . . . . 6 1
106 . 1 1 16 16 GLN HB3 H 1 2.15 . . 1 . . . . . . . . 6 1
107 . 1 1 16 16 GLN HG2 H 1 2.44 . . 1 . . . . . . . . 6 1
108 . 1 1 16 16 GLN HG3 H 1 2.44 . . 1 . . . . . . . . 6 1
109 . 1 1 17 17 GLN H H 1 7.92 . . 1 . . . . . . . . 6 1
110 . 1 1 17 17 GLN HA H 1 4.22 . . 1 . . . . . . . . 6 1
111 . 1 1 17 17 GLN HB2 H 1 2.04 . . 1 . . . . . . . . 6 1
112 . 1 1 17 17 GLN HB3 H 1 2.04 . . 1 . . . . . . . . 6 1
113 . 1 1 17 17 GLN HG2 H 1 2.36 . . 1 . . . . . . . . 6 1
114 . 1 1 17 17 GLN HG3 H 1 2.36 . . 1 . . . . . . . . 6 1
115 . 1 1 18 18 HIS H H 1 8.31 . . 1 . . . . . . . . 6 1
116 . 1 1 18 18 HIS HA H 1 4.63 . . 1 . . . . . . . . 6 1
117 . 1 1 18 18 HIS HB2 H 1 3.13 . . 2 . . . . . . . . 6 1
118 . 1 1 18 18 HIS HB3 H 1 3.23 . . 2 . . . . . . . . 6 1
119 . 1 1 18 18 HIS HD2 H 1 7.32 . . 1 . . . . . . . . 6 1
120 . 1 1 18 18 HIS HE1 H 1 8.61 . . 1 . . . . . . . . 6 1
stop_
save_