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 1767
_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 . 1767 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 ASP HA H 1 4.18 . . 1 . . . . . . . . 1767 1
2 . 1 1 1 1 ASP HB2 H 1 2.67 . . 2 . . . . . . . . 1767 1
3 . 1 1 1 1 ASP HB3 H 1 2.91 . . 2 . . . . . . . . 1767 1
4 . 1 1 2 2 SER H H 1 8.64 . . 1 . . . . . . . . 1767 1
5 . 1 1 2 2 SER HA H 1 4.39 . . 1 . . . . . . . . 1767 1
6 . 1 1 2 2 SER HB2 H 1 3.61 . . 2 . . . . . . . . 1767 1
7 . 1 1 2 2 SER HB3 H 1 3.65 . . 2 . . . . . . . . 1767 1
8 . 1 1 3 3 GLY H H 1 8.19 . . 1 . . . . . . . . 1767 1
9 . 1 1 3 3 GLY HA2 H 1 3.77 . . 1 . . . . . . . . 1767 1
10 . 1 1 3 3 GLY HA3 H 1 3.77 . . 1 . . . . . . . . 1767 1
11 . 1 1 4 4 CYS H H 1 8.14 . . 1 . . . . . . . . 1767 1
12 . 1 1 4 4 CYS HA H 1 4.52 . . 1 . . . . . . . . 1767 1
13 . 1 1 4 4 CYS HB2 H 1 2.76 . . 2 . . . . . . . . 1767 1
14 . 1 1 4 4 CYS HB3 H 1 3.01 . . 2 . . . . . . . . 1767 1
15 . 1 1 5 5 PHE H H 1 8.05 . . 1 . . . . . . . . 1767 1
16 . 1 1 5 5 PHE HA H 1 4.53 . . 1 . . . . . . . . 1767 1
17 . 1 1 5 5 PHE HB2 H 1 2.82 . . 2 . . . . . . . . 1767 1
18 . 1 1 5 5 PHE HB3 H 1 3.02 . . 2 . . . . . . . . 1767 1
19 . 1 1 5 5 PHE HD1 H 1 7.16 . . 1 . . . . . . . . 1767 1
20 . 1 1 5 5 PHE HD2 H 1 7.16 . . 1 . . . . . . . . 1767 1
21 . 1 1 5 5 PHE HE1 H 1 7.25 . . 1 . . . . . . . . 1767 1
22 . 1 1 5 5 PHE HE2 H 1 7.25 . . 1 . . . . . . . . 1767 1
23 . 1 1 6 6 GLY H H 1 8.23 . . 1 . . . . . . . . 1767 1
24 . 1 1 6 6 GLY HA2 H 1 3.77 . . 1 . . . . . . . . 1767 1
25 . 1 1 6 6 GLY HA3 H 1 3.77 . . 1 . . . . . . . . 1767 1
26 . 1 1 7 7 ARG H H 1 8.02 . . 1 . . . . . . . . 1767 1
27 . 1 1 7 7 ARG HA H 1 4.34 . . 1 . . . . . . . . 1767 1
28 . 1 1 7 7 ARG HB2 H 1 1.7 . . 2 . . . . . . . . 1767 1
29 . 1 1 7 7 ARG HB3 H 1 1.57 . . 2 . . . . . . . . 1767 1
30 . 1 1 7 7 ARG HG2 H 1 1.5 . . 1 . . . . . . . . 1767 1
31 . 1 1 7 7 ARG HG3 H 1 1.5 . . 1 . . . . . . . . 1767 1
32 . 1 1 7 7 ARG HD2 H 1 3.11 . . 1 . . . . . . . . 1767 1
33 . 1 1 7 7 ARG HD3 H 1 3.11 . . 1 . . . . . . . . 1767 1
34 . 1 1 7 7 ARG HE H 1 7.53 . . 1 . . . . . . . . 1767 1
35 . 1 1 8 8 ARG H H 1 8.15 . . 1 . . . . . . . . 1767 1
36 . 1 1 8 8 ARG HA H 1 4.25 . . 1 . . . . . . . . 1767 1
37 . 1 1 8 8 ARG HB2 H 1 1.71 . . 2 . . . . . . . . 1767 1
38 . 1 1 8 8 ARG HB3 H 1 1.57 . . 2 . . . . . . . . 1767 1
39 . 1 1 8 8 ARG HG2 H 1 1.47 . . 1 . . . . . . . . 1767 1
40 . 1 1 8 8 ARG HG3 H 1 1.47 . . 1 . . . . . . . . 1767 1
41 . 1 1 8 8 ARG HD2 H 1 3.12 . . 2 . . . . . . . . 1767 1
42 . 1 1 8 8 ARG HD3 H 1 3.04 . . 2 . . . . . . . . 1767 1
43 . 1 1 8 8 ARG HE H 1 7.5 . . 1 . . . . . . . . 1767 1
44 . 1 1 9 9 LEU H H 1 7.93 . . 1 . . . . . . . . 1767 1
45 . 1 1 9 9 LEU HA H 1 4.31 . . 1 . . . . . . . . 1767 1
46 . 1 1 9 9 LEU HB2 H 1 1.45 . . 1 . . . . . . . . 1767 1
47 . 1 1 9 9 LEU HB3 H 1 1.45 . . 1 . . . . . . . . 1767 1
48 . 1 1 9 9 LEU HG H 1 1.58 . . 1 . . . . . . . . 1767 1
49 . 1 1 9 9 LEU HD11 H 1 .84 . . 1 . . . . . . . . 1767 1
50 . 1 1 9 9 LEU HD12 H 1 .84 . . 1 . . . . . . . . 1767 1
51 . 1 1 9 9 LEU HD13 H 1 .84 . . 1 . . . . . . . . 1767 1
52 . 1 1 9 9 LEU HD21 H 1 .84 . . 1 . . . . . . . . 1767 1
53 . 1 1 9 9 LEU HD22 H 1 .84 . . 1 . . . . . . . . 1767 1
54 . 1 1 9 9 LEU HD23 H 1 .84 . . 1 . . . . . . . . 1767 1
55 . 1 1 10 10 ASP H H 1 8.24 . . 1 . . . . . . . . 1767 1
56 . 1 1 10 10 ASP HA H 1 4.52 . . 1 . . . . . . . . 1767 1
57 . 1 1 10 10 ASP HB2 H 1 2.53 . . 2 . . . . . . . . 1767 1
58 . 1 1 10 10 ASP HB3 H 1 2.72 . . 2 . . . . . . . . 1767 1
59 . 1 1 11 11 ARG H H 1 7.83 . . 1 . . . . . . . . 1767 1
60 . 1 1 11 11 ARG HA H 1 4.27 . . 1 . . . . . . . . 1767 1
61 . 1 1 11 11 ARG HB2 H 1 1.7 . . 2 . . . . . . . . 1767 1
62 . 1 1 11 11 ARG HB3 H 1 1.54 . . 2 . . . . . . . . 1767 1
63 . 1 1 11 11 ARG HG2 H 1 1.44 . . 1 . . . . . . . . 1767 1
64 . 1 1 11 11 ARG HG3 H 1 1.44 . . 1 . . . . . . . . 1767 1
65 . 1 1 11 11 ARG HD2 H 1 3.1 . . 1 . . . . . . . . 1767 1
66 . 1 1 11 11 ARG HD3 H 1 3.1 . . 1 . . . . . . . . 1767 1
67 . 1 1 11 11 ARG HE H 1 7.48 . . 1 . . . . . . . . 1767 1
68 . 1 1 12 12 ILE H H 1 7.79 . . 1 . . . . . . . . 1767 1
69 . 1 1 12 12 ILE HA H 1 4.14 . . 1 . . . . . . . . 1767 1
70 . 1 1 12 12 ILE HB H 1 1.7 . . 1 . . . . . . . . 1767 1
71 . 1 1 12 12 ILE HG12 H 1 1.08 . . 2 . . . . . . . . 1767 1
72 . 1 1 12 12 ILE HG13 H 1 1.43 . . 2 . . . . . . . . 1767 1
73 . 1 1 12 12 ILE HG21 H 1 .82 . . 1 . . . . . . . . 1767 1
74 . 1 1 12 12 ILE HG22 H 1 .82 . . 1 . . . . . . . . 1767 1
75 . 1 1 12 12 ILE HG23 H 1 .82 . . 1 . . . . . . . . 1767 1
76 . 1 1 12 12 ILE HD11 H 1 .8 . . 1 . . . . . . . . 1767 1
77 . 1 1 12 12 ILE HD12 H 1 .8 . . 1 . . . . . . . . 1767 1
78 . 1 1 12 12 ILE HD13 H 1 .8 . . 1 . . . . . . . . 1767 1
79 . 1 1 13 13 GLY H H 1 8.2 . . 1 . . . . . . . . 1767 1
80 . 1 1 13 13 GLY HA2 H 1 3.79 . . 1 . . . . . . . . 1767 1
81 . 1 1 13 13 GLY HA3 H 1 3.79 . . 1 . . . . . . . . 1767 1
82 . 1 1 14 14 SER H H 1 7.93 . . 1 . . . . . . . . 1767 1
83 . 1 1 14 14 SER HA H 1 4.31 . . 1 . . . . . . . . 1767 1
84 . 1 1 14 14 SER HB2 H 1 3.63 . . 2 . . . . . . . . 1767 1
85 . 1 1 14 14 SER HB3 H 1 3.55 . . 2 . . . . . . . . 1767 1
86 . 1 1 15 15 LEU H H 1 8.07 . . 1 . . . . . . . . 1767 1
87 . 1 1 15 15 LEU HA H 1 4.32 . . 1 . . . . . . . . 1767 1
88 . 1 1 15 15 LEU HB2 H 1 1.5 . . 1 . . . . . . . . 1767 1
89 . 1 1 15 15 LEU HB3 H 1 1.5 . . 1 . . . . . . . . 1767 1
90 . 1 1 15 15 LEU HG H 1 1.6 . . 1 . . . . . . . . 1767 1
91 . 1 1 15 15 LEU HD11 H 1 .84 . . 1 . . . . . . . . 1767 1
92 . 1 1 15 15 LEU HD12 H 1 .84 . . 1 . . . . . . . . 1767 1
93 . 1 1 15 15 LEU HD13 H 1 .84 . . 1 . . . . . . . . 1767 1
94 . 1 1 15 15 LEU HD21 H 1 .84 . . 1 . . . . . . . . 1767 1
95 . 1 1 15 15 LEU HD22 H 1 .84 . . 1 . . . . . . . . 1767 1
96 . 1 1 15 15 LEU HD23 H 1 .84 . . 1 . . . . . . . . 1767 1
97 . 1 1 16 16 SER H H 1 7.87 . . 1 . . . . . . . . 1767 1
98 . 1 1 16 16 SER HA H 1 4.24 . . 1 . . . . . . . . 1767 1
99 . 1 1 16 16 SER HB2 H 1 3.6 . . 2 . . . . . . . . 1767 1
100 . 1 1 16 16 SER HB3 H 1 3.55 . . 2 . . . . . . . . 1767 1
101 . 1 1 17 17 GLY H H 1 8.06 . . 1 . . . . . . . . 1767 1
102 . 1 1 17 17 GLY HA2 H 1 3.75 . . 1 . . . . . . . . 1767 1
103 . 1 1 17 17 GLY HA3 H 1 3.75 . . 1 . . . . . . . . 1767 1
104 . 1 1 18 18 LEU H H 1 7.88 . . 1 . . . . . . . . 1767 1
105 . 1 1 18 18 LEU HA H 1 4.28 . . 1 . . . . . . . . 1767 1
106 . 1 1 18 18 LEU HB2 H 1 1.43 . . 1 . . . . . . . . 1767 1
107 . 1 1 18 18 LEU HB3 H 1 1.43 . . 1 . . . . . . . . 1767 1
108 . 1 1 18 18 LEU HG H 1 1.55 . . 1 . . . . . . . . 1767 1
109 . 1 1 18 18 LEU HD11 H 1 .84 . . 1 . . . . . . . . 1767 1
110 . 1 1 18 18 LEU HD12 H 1 .84 . . 1 . . . . . . . . 1767 1
111 . 1 1 18 18 LEU HD13 H 1 .84 . . 1 . . . . . . . . 1767 1
112 . 1 1 18 18 LEU HD21 H 1 .84 . . 1 . . . . . . . . 1767 1
113 . 1 1 18 18 LEU HD22 H 1 .84 . . 1 . . . . . . . . 1767 1
114 . 1 1 18 18 LEU HD23 H 1 .84 . . 1 . . . . . . . . 1767 1
115 . 1 1 19 19 GLY H H 1 8.18 . . 1 . . . . . . . . 1767 1
116 . 1 1 19 19 GLY HA2 H 1 3.76 . . 1 . . . . . . . . 1767 1
117 . 1 1 19 19 GLY HA3 H 1 3.76 . . 1 . . . . . . . . 1767 1
118 . 1 1 20 20 CYS H H 1 8.14 . . 1 . . . . . . . . 1767 1
119 . 1 1 20 20 CYS HA H 1 4.52 . . 1 . . . . . . . . 1767 1
120 . 1 1 20 20 CYS HB2 H 1 2.85 . . 2 . . . . . . . . 1767 1
121 . 1 1 20 20 CYS HB3 H 1 3.06 . . 2 . . . . . . . . 1767 1
122 . 1 1 21 21 ASN H H 1 8.24 . . 1 . . . . . . . . 1767 1
123 . 1 1 21 21 ASN HA H 1 4.59 . . 1 . . . . . . . . 1767 1
124 . 1 1 21 21 ASN HB2 H 1 2.44 . . 2 . . . . . . . . 1767 1
125 . 1 1 21 21 ASN HB3 H 1 2.57 . . 2 . . . . . . . . 1767 1
126 . 1 1 21 21 ASN HD21 H 1 6.92 . . 2 . . . . . . . . 1767 1
127 . 1 1 21 21 ASN HD22 H 1 7.4 . . 2 . . . . . . . . 1767 1
128 . 1 1 22 22 VAL H H 1 7.72 . . 1 . . . . . . . . 1767 1
129 . 1 1 22 22 VAL HA H 1 4.11 . . 1 . . . . . . . . 1767 1
130 . 1 1 22 22 VAL HB H 1 1.99 . . 1 . . . . . . . . 1767 1
131 . 1 1 22 22 VAL HG11 H 1 .81 . . 1 . . . . . . . . 1767 1
132 . 1 1 22 22 VAL HG12 H 1 .81 . . 1 . . . . . . . . 1767 1
133 . 1 1 22 22 VAL HG13 H 1 .81 . . 1 . . . . . . . . 1767 1
134 . 1 1 22 22 VAL HG21 H 1 .81 . . 1 . . . . . . . . 1767 1
135 . 1 1 22 22 VAL HG22 H 1 .81 . . 1 . . . . . . . . 1767 1
136 . 1 1 22 22 VAL HG23 H 1 .81 . . 1 . . . . . . . . 1767 1
137 . 1 1 23 23 LEU H H 1 7.94 . . 1 . . . . . . . . 1767 1
138 . 1 1 23 23 LEU HA H 1 4.27 . . 1 . . . . . . . . 1767 1
139 . 1 1 23 23 LEU HB2 H 1 1.45 . . 1 . . . . . . . . 1767 1
140 . 1 1 23 23 LEU HB3 H 1 1.45 . . 1 . . . . . . . . 1767 1
141 . 1 1 23 23 LEU HG H 1 1.58 . . 1 . . . . . . . . 1767 1
142 . 1 1 23 23 LEU HD11 H 1 .84 . . 1 . . . . . . . . 1767 1
143 . 1 1 23 23 LEU HD12 H 1 .84 . . 1 . . . . . . . . 1767 1
144 . 1 1 23 23 LEU HD13 H 1 .84 . . 1 . . . . . . . . 1767 1
145 . 1 1 23 23 LEU HD21 H 1 .84 . . 1 . . . . . . . . 1767 1
146 . 1 1 23 23 LEU HD22 H 1 .84 . . 1 . . . . . . . . 1767 1
147 . 1 1 23 23 LEU HD23 H 1 .84 . . 1 . . . . . . . . 1767 1
148 . 1 1 24 24 ARG H H 1 7.86 . . 1 . . . . . . . . 1767 1
149 . 1 1 24 24 ARG HA H 1 4.26 . . 1 . . . . . . . . 1767 1
150 . 1 1 24 24 ARG HB2 H 1 1.7 . . 2 . . . . . . . . 1767 1
151 . 1 1 24 24 ARG HB3 H 1 1.45 . . 2 . . . . . . . . 1767 1
152 . 1 1 24 24 ARG HG2 H 1 1.45 . . 1 . . . . . . . . 1767 1
153 . 1 1 24 24 ARG HG3 H 1 1.45 . . 1 . . . . . . . . 1767 1
154 . 1 1 24 24 ARG HD2 H 1 3.1 . . 1 . . . . . . . . 1767 1
155 . 1 1 24 24 ARG HD3 H 1 3.1 . . 1 . . . . . . . . 1767 1
156 . 1 1 24 24 ARG HE H 1 7.48 . . 1 . . . . . . . . 1767 1
157 . 1 1 25 25 ARG H H 1 7.87 . . 1 . . . . . . . . 1767 1
158 . 1 1 25 25 ARG HA H 1 4.29 . . 1 . . . . . . . . 1767 1
159 . 1 1 25 25 ARG HB2 H 1 1.7 . . 2 . . . . . . . . 1767 1
160 . 1 1 25 25 ARG HB3 H 1 1.45 . . 2 . . . . . . . . 1767 1
161 . 1 1 25 25 ARG HG2 H 1 1.45 . . 1 . . . . . . . . 1767 1
162 . 1 1 25 25 ARG HG3 H 1 1.45 . . 1 . . . . . . . . 1767 1
163 . 1 1 25 25 ARG HD2 H 1 3.1 . . 1 . . . . . . . . 1767 1
164 . 1 1 25 25 ARG HD3 H 1 3.1 . . 1 . . . . . . . . 1767 1
165 . 1 1 25 25 ARG HE H 1 7.48 . . 1 . . . . . . . . 1767 1
166 . 1 1 26 26 TYR H H 1 8.09 . . 1 . . . . . . . . 1767 1
167 . 1 1 26 26 TYR HA H 1 4.32 . . 1 . . . . . . . . 1767 1
168 . 1 1 26 26 TYR HB2 H 1 2.8 . . 2 . . . . . . . . 1767 1
169 . 1 1 26 26 TYR HB3 H 1 2.88 . . 2 . . . . . . . . 1767 1
170 . 1 1 26 26 TYR HD1 H 1 7 . . 1 . . . . . . . . 1767 1
171 . 1 1 26 26 TYR HD2 H 1 7 . . 1 . . . . . . . . 1767 1
172 . 1 1 26 26 TYR HE1 H 1 6.65 . . 1 . . . . . . . . 1767 1
173 . 1 1 26 26 TYR HE2 H 1 6.65 . . 1 . . . . . . . . 1767 1
stop_
save_