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 476
_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 . 476 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 LYS HA H 1 4.1 . . 1 . . . . . . . . 476 1
2 . 1 1 1 1 LYS HB2 H 1 1.91 . . 1 . . . . . . . . 476 1
3 . 1 1 1 1 LYS HB3 H 1 1.91 . . 1 . . . . . . . . 476 1
4 . 1 1 1 1 LYS HG2 H 1 1.43 . . 1 . . . . . . . . 476 1
5 . 1 1 1 1 LYS HG3 H 1 1.43 . . 1 . . . . . . . . 476 1
6 . 1 1 1 1 LYS HD2 H 1 1.72 . . 1 . . . . . . . . 476 1
7 . 1 1 1 1 LYS HD3 H 1 1.72 . . 1 . . . . . . . . 476 1
8 . 1 1 1 1 LYS HE2 H 1 3.03 . . 1 . . . . . . . . 476 1
9 . 1 1 1 1 LYS HE3 H 1 3.03 . . 1 . . . . . . . . 476 1
10 . 1 1 1 1 LYS HZ1 H 1 7.62 . . 1 . . . . . . . . 476 1
11 . 1 1 1 1 LYS HZ2 H 1 7.62 . . 1 . . . . . . . . 476 1
12 . 1 1 1 1 LYS HZ3 H 1 7.62 . . 1 . . . . . . . . 476 1
13 . 1 1 2 2 ILE H H 1 8.62 . . 1 . . . . . . . . 476 1
14 . 1 1 2 2 ILE HA H 1 4.22 . . 1 . . . . . . . . 476 1
15 . 1 1 2 2 ILE HB H 1 1.82 . . 1 . . . . . . . . 476 1
16 . 1 1 2 2 ILE HG12 H 1 1.42 . . 2 . . . . . . . . 476 1
17 . 1 1 2 2 ILE HG13 H 1 1.15 . . 2 . . . . . . . . 476 1
18 . 1 1 2 2 ILE HG21 H 1 .95 . . 1 . . . . . . . . 476 1
19 . 1 1 2 2 ILE HG22 H 1 .95 . . 1 . . . . . . . . 476 1
20 . 1 1 2 2 ILE HG23 H 1 .95 . . 1 . . . . . . . . 476 1
21 . 1 1 2 2 ILE HD11 H 1 .84 . . 1 . . . . . . . . 476 1
22 . 1 1 2 2 ILE HD12 H 1 .84 . . 1 . . . . . . . . 476 1
23 . 1 1 2 2 ILE HD13 H 1 .84 . . 1 . . . . . . . . 476 1
24 . 1 1 3 3 ILE H H 1 8.46 . . 1 . . . . . . . . 476 1
25 . 1 1 3 3 ILE HA H 1 4.51 . . 1 . . . . . . . . 476 1
26 . 1 1 3 3 ILE HB H 1 1.87 . . 1 . . . . . . . . 476 1
27 . 1 1 3 3 ILE HG12 H 1 1.5 . . 2 . . . . . . . . 476 1
28 . 1 1 3 3 ILE HG13 H 1 1.18 . . 2 . . . . . . . . 476 1
29 . 1 1 3 3 ILE HG21 H 1 .9 . . 1 . . . . . . . . 476 1
30 . 1 1 3 3 ILE HG22 H 1 .9 . . 1 . . . . . . . . 476 1
31 . 1 1 3 3 ILE HG23 H 1 .9 . . 1 . . . . . . . . 476 1
32 . 1 1 3 3 ILE HD11 H 1 .85 . . 1 . . . . . . . . 476 1
33 . 1 1 3 3 ILE HD12 H 1 .85 . . 1 . . . . . . . . 476 1
34 . 1 1 3 3 ILE HD13 H 1 .85 . . 1 . . . . . . . . 476 1
35 . 1 1 4 4 PRO HA H 1 4.4 . . 1 . . . . . . . . 476 1
36 . 1 1 4 4 PRO HB2 H 1 2.26 . . 2 . . . . . . . . 476 1
37 . 1 1 4 4 PRO HB3 H 1 1.88 . . 2 . . . . . . . . 476 1
38 . 1 1 4 4 PRO HG2 H 1 2.03 . . 1 . . . . . . . . 476 1
39 . 1 1 4 4 PRO HG3 H 1 2.03 . . 1 . . . . . . . . 476 1
40 . 1 1 4 4 PRO HD2 H 1 3.92 . . 2 . . . . . . . . 476 1
41 . 1 1 4 4 PRO HD3 H 1 3.71 . . 2 . . . . . . . . 476 1
42 . 1 1 5 5 PHE H H 1 8.21 . . 1 . . . . . . . . 476 1
43 . 1 1 5 5 PHE HA H 1 4.54 . . 1 . . . . . . . . 476 1
44 . 1 1 5 5 PHE HB2 H 1 3.11 . . 2 . . . . . . . . 476 1
45 . 1 1 5 5 PHE HB3 H 1 3.07 . . 2 . . . . . . . . 476 1
46 . 1 1 5 5 PHE HD1 H 1 7.24 . . 1 . . . . . . . . 476 1
47 . 1 1 5 5 PHE HD2 H 1 7.24 . . 1 . . . . . . . . 476 1
48 . 1 1 5 5 PHE HE1 H 1 7.33 . . 1 . . . . . . . . 476 1
49 . 1 1 5 5 PHE HE2 H 1 7.33 . . 1 . . . . . . . . 476 1
50 . 1 1 5 5 PHE HZ H 1 7.29 . . 1 . . . . . . . . 476 1
51 . 1 1 6 6 ASN H H 1 8.24 . . 1 . . . . . . . . 476 1
52 . 1 1 6 6 ASN HA H 1 4.64 . . 1 . . . . . . . . 476 1
53 . 1 1 6 6 ASN HB2 H 1 2.77 . . 2 . . . . . . . . 476 1
54 . 1 1 6 6 ASN HB3 H 1 2.7 . . 2 . . . . . . . . 476 1
55 . 1 1 7 7 ARG H H 1 8.27 . . 1 . . . . . . . . 476 1
56 . 1 1 7 7 ARG HA H 1 4.24 . . 1 . . . . . . . . 476 1
57 . 1 1 7 7 ARG HB2 H 1 1.87 . . 2 . . . . . . . . 476 1
58 . 1 1 7 7 ARG HB3 H 1 1.77 . . 2 . . . . . . . . 476 1
59 . 1 1 7 7 ARG HG2 H 1 1.62 . . 1 . . . . . . . . 476 1
60 . 1 1 7 7 ARG HG3 H 1 1.62 . . 1 . . . . . . . . 476 1
61 . 1 1 7 7 ARG HD2 H 1 3.22 . . 1 . . . . . . . . 476 1
62 . 1 1 7 7 ARG HD3 H 1 3.22 . . 1 . . . . . . . . 476 1
63 . 1 1 7 7 ARG HE H 1 7.25 . . 1 . . . . . . . . 476 1
64 . 1 1 8 8 LEU H H 1 8.19 . . 1 . . . . . . . . 476 1
65 . 1 1 8 8 LEU HA H 1 4.4 . . 1 . . . . . . . . 476 1
66 . 1 1 8 8 LEU HB2 H 1 1.69 . . 2 . . . . . . . . 476 1
67 . 1 1 8 8 LEU HB3 H 1 1.59 . . 2 . . . . . . . . 476 1
68 . 1 1 8 8 LEU HG H 1 1.69 . . 1 . . . . . . . . 476 1
69 . 1 1 8 8 LEU HD11 H 1 .92 . . 2 . . . . . . . . 476 1
70 . 1 1 8 8 LEU HD12 H 1 .92 . . 2 . . . . . . . . 476 1
71 . 1 1 8 8 LEU HD13 H 1 .92 . . 2 . . . . . . . . 476 1
72 . 1 1 8 8 LEU HD21 H 1 .85 . . 2 . . . . . . . . 476 1
73 . 1 1 8 8 LEU HD22 H 1 .85 . . 2 . . . . . . . . 476 1
74 . 1 1 8 8 LEU HD23 H 1 .85 . . 2 . . . . . . . . 476 1
75 . 1 1 9 9 THR H H 1 8 . . 1 . . . . . . . . 476 1
76 . 1 1 9 9 THR HA H 1 4.33 . . 1 . . . . . . . . 476 1
77 . 1 1 9 9 THR HB H 1 4.24 . . 1 . . . . . . . . 476 1
78 . 1 1 9 9 THR HG21 H 1 1.17 . . 1 . . . . . . . . 476 1
79 . 1 1 9 9 THR HG22 H 1 1.17 . . 1 . . . . . . . . 476 1
80 . 1 1 9 9 THR HG23 H 1 1.17 . . 1 . . . . . . . . 476 1
81 . 1 1 10 10 ILE H H 1 8.01 . . 1 . . . . . . . . 476 1
82 . 1 1 10 10 ILE HA H 1 4.15 . . 1 . . . . . . . . 476 1
83 . 1 1 10 10 ILE HB H 1 1.59 . . 1 . . . . . . . . 476 1
84 . 1 1 10 10 ILE HG12 H 1 1.47 . . 2 . . . . . . . . 476 1
85 . 1 1 10 10 ILE HG13 H 1 1.2 . . 2 . . . . . . . . 476 1
86 . 1 1 10 10 ILE HG21 H 1 .99 . . 1 . . . . . . . . 476 1
87 . 1 1 10 10 ILE HG22 H 1 .99 . . 1 . . . . . . . . 476 1
88 . 1 1 10 10 ILE HG23 H 1 .99 . . 1 . . . . . . . . 476 1
89 . 1 1 10 10 ILE HD11 H 1 .94 . . 1 . . . . . . . . 476 1
90 . 1 1 10 10 ILE HD12 H 1 .94 . . 1 . . . . . . . . 476 1
91 . 1 1 10 10 ILE HD13 H 1 .94 . . 1 . . . . . . . . 476 1
92 . 1 1 11 11 GLY H H 1 8.47 . . 1 . . . . . . . . 476 1
93 . 1 1 11 11 GLY HA2 H 1 3.96 . . 1 . . . . . . . . 476 1
94 . 1 1 11 11 GLY HA3 H 1 3.96 . . 1 . . . . . . . . 476 1
95 . 1 1 12 12 GLU H H 1 8.25 . . 1 . . . . . . . . 476 1
96 . 1 1 12 12 GLU HA H 1 4.37 . . 1 . . . . . . . . 476 1
97 . 1 1 12 12 GLU HB2 H 1 2.16 . . 2 . . . . . . . . 476 1
98 . 1 1 12 12 GLU HB3 H 1 2.01 . . 2 . . . . . . . . 476 1
99 . 1 1 12 12 GLU HG2 H 1 2.47 . . 1 . . . . . . . . 476 1
100 . 1 1 12 12 GLU HG3 H 1 2.47 . . 1 . . . . . . . . 476 1
101 . 1 1 13 13 GLY H H 1 8.55 . . 1 . . . . . . . . 476 1
102 . 1 1 13 13 GLY HA2 H 1 3.97 . . 1 . . . . . . . . 476 1
103 . 1 1 13 13 GLY HA3 H 1 3.97 . . 1 . . . . . . . . 476 1
104 . 1 1 14 14 GLN H H 1 8.21 . . 1 . . . . . . . . 476 1
105 . 1 1 14 14 GLN HA H 1 4.3 . . 1 . . . . . . . . 476 1
106 . 1 1 14 14 GLN HB2 H 1 2.1 . . 2 . . . . . . . . 476 1
107 . 1 1 14 14 GLN HB3 H 1 1.95 . . 2 . . . . . . . . 476 1
108 . 1 1 14 14 GLN HG2 H 1 2.33 . . 1 . . . . . . . . 476 1
109 . 1 1 14 14 GLN HG3 H 1 2.33 . . 1 . . . . . . . . 476 1
110 . 1 1 14 14 GLN HE21 H 1 7.45 . . 2 . . . . . . . . 476 1
111 . 1 1 14 14 GLN HE22 H 1 6.83 . . 2 . . . . . . . . 476 1
112 . 1 1 15 15 GLN H H 1 8.37 . . 1 . . . . . . . . 476 1
113 . 1 1 15 15 GLN HA H 1 4.23 . . 1 . . . . . . . . 476 1
114 . 1 1 15 15 GLN HB2 H 1 1.9 . . 1 . . . . . . . . 476 1
115 . 1 1 15 15 GLN HB3 H 1 1.9 . . 1 . . . . . . . . 476 1
116 . 1 1 15 15 GLN HG2 H 1 2.31 . . 1 . . . . . . . . 476 1
117 . 1 1 15 15 GLN HG3 H 1 2.31 . . 1 . . . . . . . . 476 1
118 . 1 1 15 15 GLN HE21 H 1 7.51 . . 2 . . . . . . . . 476 1
119 . 1 1 15 15 GLN HE22 H 1 6.83 . . 2 . . . . . . . . 476 1
120 . 1 1 16 16 HIS H H 1 8.5 . . 1 . . . . . . . . 476 1
121 . 1 1 16 16 HIS HA H 1 4.62 . . 1 . . . . . . . . 476 1
122 . 1 1 16 16 HIS HB2 H 1 3.26 . . 2 . . . . . . . . 476 1
123 . 1 1 16 16 HIS HB3 H 1 3.15 . . 2 . . . . . . . . 476 1
124 . 1 1 16 16 HIS HD2 H 1 7.32 . . 1 . . . . . . . . 476 1
125 . 1 1 16 16 HIS HE1 H 1 8.67 . . 1 . . . . . . . . 476 1
126 . 1 1 17 17 HIS H H 1 8.6 . . 1 . . . . . . . . 476 1
127 . 1 1 17 17 HIS HA H 1 4.69 . . 1 . . . . . . . . 476 1
128 . 1 1 17 17 HIS HB2 H 1 3.27 . . 2 . . . . . . . . 476 1
129 . 1 1 17 17 HIS HB3 H 1 3.22 . . 2 . . . . . . . . 476 1
130 . 1 1 17 17 HIS HD2 H 1 7.31 . . 1 . . . . . . . . 476 1
131 . 1 1 17 17 HIS HE1 H 1 8.66 . . 1 . . . . . . . . 476 1
132 . 1 1 18 18 LEU H H 1 8.49 . . 1 . . . . . . . . 476 1
133 . 1 1 18 18 LEU HA H 1 4.39 . . 1 . . . . . . . . 476 1
134 . 1 1 18 18 LEU HB2 H 1 1.66 . . 2 . . . . . . . . 476 1
135 . 1 1 18 18 LEU HB3 H 1 1.6 . . 2 . . . . . . . . 476 1
136 . 1 1 18 18 LEU HG H 1 1.66 . . 1 . . . . . . . . 476 1
137 . 1 1 18 18 LEU HD11 H 1 .92 . . 2 . . . . . . . . 476 1
138 . 1 1 18 18 LEU HD12 H 1 .92 . . 2 . . . . . . . . 476 1
139 . 1 1 18 18 LEU HD13 H 1 .92 . . 2 . . . . . . . . 476 1
140 . 1 1 18 18 LEU HD21 H 1 .88 . . 2 . . . . . . . . 476 1
141 . 1 1 18 18 LEU HD22 H 1 .88 . . 2 . . . . . . . . 476 1
142 . 1 1 18 18 LEU HD23 H 1 .88 . . 2 . . . . . . . . 476 1
143 . 1 1 19 19 GLY H H 1 8.5 . . 1 . . . . . . . . 476 1
144 . 1 1 19 19 GLY HA2 H 1 3.98 . . 1 . . . . . . . . 476 1
145 . 1 1 19 19 GLY HA3 H 1 3.98 . . 1 . . . . . . . . 476 1
146 . 1 1 20 20 GLY H H 1 8.28 . . 1 . . . . . . . . 476 1
147 . 1 1 20 20 GLY HA2 H 1 4 . . 2 . . . . . . . . 476 1
148 . 1 1 20 20 GLY HA3 H 1 3.97 . . 2 . . . . . . . . 476 1
149 . 1 1 21 21 ALA H H 1 8.23 . . 1 . . . . . . . . 476 1
150 . 1 1 21 21 ALA HA H 1 4.33 . . 1 . . . . . . . . 476 1
151 . 1 1 21 21 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 476 1
152 . 1 1 21 21 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 476 1
153 . 1 1 21 21 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 476 1
154 . 1 1 22 22 LYS H H 1 8.35 . . 1 . . . . . . . . 476 1
155 . 1 1 22 22 LYS HA H 1 4.3 . . 1 . . . . . . . . 476 1
156 . 1 1 22 22 LYS HB2 H 1 1.86 . . 1 . . . . . . . . 476 1
157 . 1 1 22 22 LYS HB3 H 1 1.86 . . 1 . . . . . . . . 476 1
158 . 1 1 22 22 LYS HG2 H 1 1.42 . . 1 . . . . . . . . 476 1
159 . 1 1 22 22 LYS HG3 H 1 1.42 . . 1 . . . . . . . . 476 1
160 . 1 1 22 22 LYS HD2 H 1 1.69 . . 1 . . . . . . . . 476 1
161 . 1 1 22 22 LYS HD3 H 1 1.69 . . 1 . . . . . . . . 476 1
162 . 1 1 22 22 LYS HE2 H 1 3.03 . . 1 . . . . . . . . 476 1
163 . 1 1 22 22 LYS HE3 H 1 3.03 . . 1 . . . . . . . . 476 1
164 . 1 1 22 22 LYS HZ1 H 1 7.62 . . 1 . . . . . . . . 476 1
165 . 1 1 22 22 LYS HZ2 H 1 7.62 . . 1 . . . . . . . . 476 1
166 . 1 1 22 22 LYS HZ3 H 1 7.62 . . 1 . . . . . . . . 476 1
167 . 1 1 23 23 GLN H H 1 8.36 . . 1 . . . . . . . . 476 1
168 . 1 1 23 23 GLN HA H 1 4.34 . . 1 . . . . . . . . 476 1
169 . 1 1 23 23 GLN HB2 H 1 2.09 . . 2 . . . . . . . . 476 1
170 . 1 1 23 23 GLN HB3 H 1 1.98 . . 2 . . . . . . . . 476 1
171 . 1 1 23 23 GLN HG2 H 1 2.36 . . 1 . . . . . . . . 476 1
172 . 1 1 23 23 GLN HG3 H 1 2.36 . . 1 . . . . . . . . 476 1
173 . 1 1 23 23 GLN HE21 H 1 7.55 . . 2 . . . . . . . . 476 1
174 . 1 1 23 23 GLN HE22 H 1 6.83 . . 2 . . . . . . . . 476 1
175 . 1 1 24 24 ALA H H 1 8.4 . . 1 . . . . . . . . 476 1
176 . 1 1 24 24 ALA HA H 1 4.32 . . 1 . . . . . . . . 476 1
177 . 1 1 24 24 ALA HB1 H 1 1.4 . . 1 . . . . . . . . 476 1
178 . 1 1 24 24 ALA HB2 H 1 1.4 . . 1 . . . . . . . . 476 1
179 . 1 1 24 24 ALA HB3 H 1 1.4 . . 1 . . . . . . . . 476 1
180 . 1 1 25 25 GLY H H 1 8.38 . . 1 . . . . . . . . 476 1
181 . 1 1 25 25 GLY HA2 H 1 3.97 . . 2 . . . . . . . . 476 1
182 . 1 1 25 25 GLY HA3 H 1 3.93 . . 2 . . . . . . . . 476 1
183 . 1 1 26 26 ASP H H 1 8.25 . . 1 . . . . . . . . 476 1
184 . 1 1 26 26 ASP HA H 1 4.8 . . 1 . . . . . . . . 476 1
185 . 1 1 26 26 ASP HB2 H 1 2.92 . . 2 . . . . . . . . 476 1
186 . 1 1 26 26 ASP HB3 H 1 2.82 . . 2 . . . . . . . . 476 1
187 . 1 1 27 27 VAL H H 1 7.93 . . 1 . . . . . . . . 476 1
188 . 1 1 27 27 VAL HA H 1 4.18 . . 1 . . . . . . . . 476 1
189 . 1 1 27 27 VAL HB H 1 2.13 . . 1 . . . . . . . . 476 1
190 . 1 1 27 27 VAL HG11 H 1 .93 . . 1 . . . . . . . . 476 1
191 . 1 1 27 27 VAL HG12 H 1 .93 . . 1 . . . . . . . . 476 1
192 . 1 1 27 27 VAL HG13 H 1 .93 . . 1 . . . . . . . . 476 1
193 . 1 1 27 27 VAL HG21 H 1 .93 . . 1 . . . . . . . . 476 1
194 . 1 1 27 27 VAL HG22 H 1 .93 . . 1 . . . . . . . . 476 1
195 . 1 1 27 27 VAL HG23 H 1 .93 . . 1 . . . . . . . . 476 1
stop_
save_