Content for NMR-STAR saveframe, "shift_set_1"
save_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_1
_Assigned_chem_shift_list.Entry_ID 5640
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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_1 . 5640 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 DT H6 H 1 7.358 0.002 . 1 . . . . . . . . 5640 1
2 . 1 1 1 1 DT H1' H 1 6.012 0.002 . 1 . . . . . . . . 5640 1
3 . 1 1 1 1 DT H2' H 1 1.818 0.002 . 1 . . . . . . . . 5640 1
4 . 1 1 1 1 DT H2'' H 1 2.238 0.002 . 1 . . . . . . . . 5640 1
5 . 1 1 1 1 DT H3' H 1 4.642 0.002 . 1 . . . . . . . . 5640 1
6 . 1 1 1 1 DT C6 C 13 139.52 0.02 . 1 . . . . . . . . 5640 1
7 . 1 1 1 1 DT C1' C 13 87.69 0.02 . 1 . . . . . . . . 5640 1
8 . 1 1 1 1 DT C2' C 13 39.79 0.02 . 1 . . . . . . . . 5640 1
9 . 1 1 1 1 DT C3' C 13 78.18 0.02 . 1 . . . . . . . . 5640 1
10 . 1 1 2 2 DA H2 H 1 8.124 0.002 . 1 . . . . . . . . 5640 1
11 . 1 1 2 2 DA H8 H 1 8.163 0.002 . 1 . . . . . . . . 5640 1
12 . 1 1 2 2 DA H1' H 1 6.161 0.002 . 1 . . . . . . . . 5640 1
13 . 1 1 2 2 DA H2' H 1 2.631 0.002 . 1 . . . . . . . . 5640 1
14 . 1 1 2 2 DA H2'' H 1 2.697 0.002 . 1 . . . . . . . . 5640 1
15 . 1 1 2 2 DA H3' H 1 4.963 0.002 . 1 . . . . . . . . 5640 1
16 . 1 1 2 2 DA C2 C 13 155.57 0.02 . 1 . . . . . . . . 5640 1
17 . 1 1 2 2 DA C8 C 13 141.98 0.02 . 1 . . . . . . . . 5640 1
18 . 1 1 2 2 DA C1' C 13 85.92 0.02 . 1 . . . . . . . . 5640 1
19 . 1 1 2 2 DA C2' C 13 39.62 0.02 . 1 . . . . . . . . 5640 1
20 . 1 1 2 2 DA C3' C 13 79.20 0.02 . 1 . . . . . . . . 5640 1
21 . 1 1 3 3 DG H8 H 1 7.888 0.002 . 1 . . . . . . . . 5640 1
22 . 1 1 3 3 DG H1' H 1 5.996 0.002 . 1 . . . . . . . . 5640 1
23 . 1 1 3 3 DG H2' H 1 2.601 0.002 . 1 . . . . . . . . 5640 1
24 . 1 1 3 3 DG H2'' H 1 2.661 0.002 . 1 . . . . . . . . 5640 1
25 . 1 1 3 3 DG H3' H 1 4.975 0.002 . 1 . . . . . . . . 5640 1
26 . 1 1 3 3 DG C8 C 13 139.08 0.02 . 1 . . . . . . . . 5640 1
27 . 1 1 3 3 DG C1' C 13 85.22 0.02 . 1 . . . . . . . . 5640 1
28 . 1 1 3 3 DG C2' C 13 40.43 0.02 . 1 . . . . . . . . 5640 1
29 . 1 1 3 3 DG C3' C 13 78.28 0.02 . 1 . . . . . . . . 5640 1
30 . 1 1 4 4 DC H5 H 1 5.827 0.002 . 1 . . . . . . . . 5640 1
31 . 1 1 4 4 DC H6 H 1 7.675 0.002 . 1 . . . . . . . . 5640 1
32 . 1 1 4 4 DC H1' H 1 6.232 0.002 . 1 . . . . . . . . 5640 1
33 . 1 1 4 4 DC H2' H 1 2.234 0.002 . 1 . . . . . . . . 5640 1
34 . 1 1 4 4 DC H2'' H 1 2.512 0.002 . 1 . . . . . . . . 5640 1
35 . 1 1 4 4 DC H3' H 1 4.843 0.002 . 1 . . . . . . . . 5640 1
36 . 1 1 4 4 DC C5 C 13 98.70 0.02 . 1 . . . . . . . . 5640 1
37 . 1 1 4 4 DC C6 C 13 143.57 0.02 . 1 . . . . . . . . 5640 1
38 . 1 1 4 4 DC C1' C 13 88.10 0.02 . 1 . . . . . . . . 5640 1
39 . 1 1 4 4 DC C2' C 13 41.06 0.02 . 1 . . . . . . . . 5640 1
40 . 1 1 4 4 DC C3' C 13 77.91 0.02 . 1 . . . . . . . . 5640 1
41 . 1 1 5 5 DT H6 H 1 7.429 0.002 . 1 . . . . . . . . 5640 1
42 . 1 1 5 5 DT H1' H 1 6.081 0.002 . 1 . . . . . . . . 5640 1
43 . 1 1 5 5 DT H2' H 1 1.977 0.002 . 1 . . . . . . . . 5640 1
44 . 1 1 5 5 DT H2'' H 1 2.345 0.002 . 1 . . . . . . . . 5640 1
45 . 1 1 5 5 DT H3' H 1 4.788 0.002 . 1 . . . . . . . . 5640 1
46 . 1 1 5 5 DT C6 C 13 139.31 0.02 . 1 . . . . . . . . 5640 1
47 . 1 1 5 5 DT C1' C 13 87.53 0.02 . 1 . . . . . . . . 5640 1
48 . 1 1 5 5 DT C2' C 13 39.88 0.02 . 1 . . . . . . . . 5640 1
49 . 1 1 5 5 DT C3' C 13 78.54 0.02 . 1 . . . . . . . . 5640 1
50 . 1 1 6 6 DG H8 H 1 7.926 0.002 . 1 . . . . . . . . 5640 1
51 . 1 1 6 6 DG H1' H 1 6.107 0.002 . 1 . . . . . . . . 5640 1
52 . 1 1 6 6 DG H2' H 1 2.607 0.002 . 1 . . . . . . . . 5640 1
53 . 1 1 6 6 DG H2'' H 1 2.700 0.002 . 1 . . . . . . . . 5640 1
54 . 1 1 6 6 DG H3' H 1 4.918 0.002 . 1 . . . . . . . . 5640 1
55 . 1 1 6 6 DG C8 C 13 139.59 0.02 . 1 . . . . . . . . 5640 1
56 . 1 1 6 6 DG C1' C 13 85.96 0.02 . 1 . . . . . . . . 5640 1
57 . 1 1 6 6 DG C2' C 13 40.25 0.02 . 1 . . . . . . . . 5640 1
58 . 1 1 6 6 DG C3' C 13 78.43 0.02 . 1 . . . . . . . . 5640 1
59 . 1 1 7 7 DC H5 H 1 5.846 0.002 . 1 . . . . . . . . 5640 1
60 . 1 1 7 7 DC H6 H 1 7.579 0.002 . 1 . . . . . . . . 5640 1
61 . 1 1 7 7 DC H1' H 1 6.107 0.002 . 1 . . . . . . . . 5640 1
62 . 1 1 7 7 DC H2' H 1 1.982 0.002 . 1 . . . . . . . . 5640 1
63 . 1 1 7 7 DC H2'' H 1 2.394 0.002 . 1 . . . . . . . . 5640 1
64 . 1 1 7 7 DC H3' H 1 4.762 0.002 . 1 . . . . . . . . 5640 1
65 . 1 1 7 7 DC C5 C 13 98.69 0.02 . 1 . . . . . . . . 5640 1
66 . 1 1 7 7 DC C6 C 13 143.39 0.02 . 1 . . . . . . . . 5640 1
67 . 1 1 7 7 DC C1' C 13 88.25 0.02 . 1 . . . . . . . . 5640 1
68 . 1 1 7 7 DC C2' C 13 40.90 0.02 . 1 . . . . . . . . 5640 1
69 . 1 1 7 7 DC C3' C 13 78.32 0.02 . 1 . . . . . . . . 5640 1
70 . 1 1 8 8 DG H8 H 1 7.923 0.002 . 1 . . . . . . . . 5640 1
71 . 1 1 8 8 DG H1' H 1 6.139 0.002 . 1 . . . . . . . . 5640 1
72 . 1 1 8 8 DG H2' H 1 2.702 0.002 . 1 . . . . . . . . 5640 1
73 . 1 1 8 8 DG H2'' H 1 2.794 0.002 . 1 . . . . . . . . 5640 1
74 . 1 1 8 8 DG H3' H 1 5.012 0.002 . 1 . . . . . . . . 5640 1
75 . 1 1 8 8 DG C8 C 13 139.59 0.02 . 1 . . . . . . . . 5640 1
76 . 1 1 8 8 DG C1' C 13 86.01 0.02 . 1 . . . . . . . . 5640 1
77 . 1 1 8 8 DG C2' C 13 40.14 0.02 . 1 . . . . . . . . 5640 1
78 . 1 1 8 8 DG C3' C 13 78.54 0.02 . 1 . . . . . . . . 5640 1
79 . 1 1 9 9 DT H6 H 1 7.477 0.002 . 1 . . . . . . . . 5640 1
80 . 1 1 9 9 DT H1' H 1 6.226 0.002 . 1 . . . . . . . . 5640 1
81 . 1 1 9 9 DT H2' H 1 2.270 0.002 . 1 . . . . . . . . 5640 1
82 . 1 1 9 9 DT H2'' H 1 2.450 0.002 . 1 . . . . . . . . 5640 1
83 . 1 1 9 9 DT H3' H 1 4.855 0.002 . 1 . . . . . . . . 5640 1
84 . 1 1 9 9 DT C6 C 13 139.35 0.02 . 1 . . . . . . . . 5640 1
85 . 1 1 9 9 DT C1' C 13 87.40 0.02 . 1 . . . . . . . . 5640 1
86 . 1 1 9 9 DT C2' C 13 40.37 0.02 . 1 . . . . . . . . 5640 1
87 . 1 1 9 9 DT C3' C 13 77.89 0.02 . 1 . . . . . . . . 5640 1
88 . 1 1 10 10 DC H5 H 1 5.980 0.002 . 1 . . . . . . . . 5640 1
89 . 1 1 10 10 DC H6 H 1 7.756 0.002 . 1 . . . . . . . . 5640 1
90 . 1 1 10 10 DC H1' H 1 6.219 0.002 . 1 . . . . . . . . 5640 1
91 . 1 1 10 10 DC H2' H 1 2.231 0.002 . 1 . . . . . . . . 5640 1
92 . 1 1 10 10 DC H2'' H 1 2.501 0.002 . 1 . . . . . . . . 5640 1
93 . 1 1 10 10 DC H3' H 1 4.821 0.002 . 1 . . . . . . . . 5640 1
94 . 1 1 10 10 DC C5 C 13 98.86 0.02 . 1 . . . . . . . . 5640 1
95 . 1 1 10 10 DC C6 C 13 143.67 0.02 . 1 . . . . . . . . 5640 1
96 . 1 1 10 10 DC C1' C 13 88.45 0.02 . 1 . . . . . . . . 5640 1
97 . 1 1 10 10 DC C2' C 13 41.04 0.02 . 1 . . . . . . . . 5640 1
98 . 1 1 10 10 DC C3' C 13 77.95 0.02 . 1 . . . . . . . . 5640 1
99 . 1 1 11 11 DT H6 H 1 7.402 0.002 . 1 . . . . . . . . 5640 1
100 . 1 1 11 11 DT H1' H 1 6.059 0.002 . 1 . . . . . . . . 5640 1
101 . 1 1 11 11 DT H2' H 1 1.927 0.002 . 1 . . . . . . . . 5640 1
102 . 1 1 11 11 DT H2'' H 1 2.294 0.002 . 1 . . . . . . . . 5640 1
103 . 1 1 11 11 DT H3' H 1 4.782 0.002 . 1 . . . . . . . . 5640 1
104 . 1 1 11 11 DT C6 C 13 139.33 0.02 . 1 . . . . . . . . 5640 1
105 . 1 1 11 11 DT C1' C 13 87.40 0.02 . 1 . . . . . . . . 5640 1
106 . 1 1 11 11 DT C2' C 13 39.87 0.02 . 1 . . . . . . . . 5640 1
107 . 1 1 11 11 DT C3' C 13 78.68 0.02 . 1 . . . . . . . . 5640 1
108 . 1 1 12 12 DA H2 H 1 8.149 0.002 . 1 . . . . . . . . 5640 1
109 . 1 1 12 12 DA H8 H 1 8.337 0.002 . 1 . . . . . . . . 5640 1
110 . 1 1 12 12 DA H1' H 1 6.372 0.002 . 1 . . . . . . . . 5640 1
111 . 1 1 12 12 DA H2' H 1 2.775 0.002 . 1 . . . . . . . . 5640 1
112 . 1 1 12 12 DA H2'' H 1 2.848 0.002 . 1 . . . . . . . . 5640 1
113 . 1 1 12 12 DA H3' H 1 5.013 0.002 . 1 . . . . . . . . 5640 1
114 . 1 1 12 12 DA C2 C 13 155.69 0.02 . 1 . . . . . . . . 5640 1
115 . 1 1 12 12 DA C8 C 13 142.28 0.02 . 1 . . . . . . . . 5640 1
116 . 1 1 12 12 DA C1' C 13 86.12 0.02 . 1 . . . . . . . . 5640 1
117 . 1 1 12 12 DA C2' C 13 40.46 0.02 . 1 . . . . . . . . 5640 1
118 . 1 1 12 12 DA C3' C 13 78.41 0.02 . 1 . . . . . . . . 5640 1
119 . 1 1 13 13 DT H6 H 1 7.477 0.002 . 1 . . . . . . . . 5640 1
120 . 1 1 13 13 DT H1' H 1 6.148 0.002 . 1 . . . . . . . . 5640 1
121 . 1 1 13 13 DT H2' H 1 2.270 0.002 . 1 . . . . . . . . 5640 1
122 . 1 1 13 13 DT H2'' H 1 2.450 0.002 . 1 . . . . . . . . 5640 1
123 . 1 1 13 13 DT H3' H 1 4.855 0.002 . 1 . . . . . . . . 5640 1
124 . 1 1 13 13 DT C6 C 13 139.35 0.02 . 1 . . . . . . . . 5640 1
125 . 1 1 13 13 DT C1' C 13 87.40 0.02 . 1 . . . . . . . . 5640 1
126 . 1 1 13 13 DT C2' C 13 40.37 0.02 . 1 . . . . . . . . 5640 1
127 . 1 1 13 13 DT C3' C 13 77.81 0.02 . 1 . . . . . . . . 5640 1
128 . 1 1 14 14 DT H6 H 1 7.445 0.002 . 1 . . . . . . . . 5640 1
129 . 1 1 14 14 DT H1' H 1 6.099 0.002 . 1 . . . . . . . . 5640 1
130 . 1 1 14 14 DT H2' H 1 2.051 0.002 . 1 . . . . . . . . 5640 1
131 . 1 1 14 14 DT H2'' H 1 2.361 0.002 . 1 . . . . . . . . 5640 1
132 . 1 1 14 14 DT H3' H 1 4.788 0.002 . 1 . . . . . . . . 5640 1
133 . 1 1 14 14 DT C6 C 13 139.42 0.02 . 1 . . . . . . . . 5640 1
134 . 1 1 14 14 DT C1' C 13 87.50 0.02 . 1 . . . . . . . . 5640 1
135 . 1 1 14 14 DT C2' C 13 39.94 0.02 . 1 . . . . . . . . 5640 1
136 . 1 1 14 14 DT C3' C 13 78.54 0.02 . 1 . . . . . . . . 5640 1
137 . 1 1 15 15 DG H8 H 1 7.947 0.002 . 1 . . . . . . . . 5640 1
138 . 1 1 15 15 DG H1' H 1 6.158 0.002 . 1 . . . . . . . . 5640 1
139 . 1 1 15 15 DG H2' H 1 2.688 0.002 . 1 . . . . . . . . 5640 1
140 . 1 1 15 15 DG H2'' H 1 2.805 0.002 . 1 . . . . . . . . 5640 1
141 . 1 1 15 15 DG H3' H 1 4.993 0.002 . 1 . . . . . . . . 5640 1
142 . 1 1 15 15 DG C8 C 13 139.88 0.02 . 1 . . . . . . . . 5640 1
143 . 1 1 15 15 DG C1' C 13 86.20 0.02 . 1 . . . . . . . . 5640 1
144 . 1 1 15 15 DG C2' C 13 40.16 0.02 . 1 . . . . . . . . 5640 1
145 . 1 1 15 15 DG C3' C 13 78.58 0.02 . 1 . . . . . . . . 5640 1
146 . 1 1 16 16 DT H6 H 1 7.526 0.002 . 1 . . . . . . . . 5640 1
147 . 1 1 16 16 DT H1' H 1 6.236 0.002 . 1 . . . . . . . . 5640 1
148 . 1 1 16 16 DT H2' H 1 2.359 0.002 . 1 . . . . . . . . 5640 1
149 . 1 1 16 16 DT H2'' H 1 2.514 0.002 . 1 . . . . . . . . 5640 1
150 . 1 1 16 16 DT H3' H 1 4.873 0.002 . 1 . . . . . . . . 5640 1
151 . 1 1 16 16 DT C6 C 13 139.46 0.02 . 1 . . . . . . . . 5640 1
152 . 1 1 16 16 DT C1' C 13 87.40 0.02 . 1 . . . . . . . . 5640 1
153 . 1 1 16 16 DT C2' C 13 40.50 0.02 . 1 . . . . . . . . 5640 1
154 . 1 1 16 16 DT C3' C 13 77.62 0.02 . 1 . . . . . . . . 5640 1
155 . 1 1 17 17 DT H6 H 1 7.615 0.002 . 1 . . . . . . . . 5640 1
156 . 1 1 17 17 DT H1' H 1 6.268 0.002 . 1 . . . . . . . . 5640 1
157 . 1 1 17 17 DT H2' H 1 2.346 0.002 . 1 . . . . . . . . 5640 1
158 . 1 1 17 17 DT H2'' H 1 2.346 0.002 . 1 . . . . . . . . 5640 1
159 . 1 1 17 17 DT H3' H 1 4.537 0.002 . 1 . . . . . . . . 5640 1
160 . 1 1 17 17 DT C6 C 13 139.82 0.02 . 1 . . . . . . . . 5640 1
161 . 1 1 17 17 DT C1' C 13 87.76 0.02 . 1 . . . . . . . . 5640 1
162 . 1 1 17 17 DT C2' C 13 41.53 0.02 . 1 . . . . . . . . 5640 1
163 . 1 1 17 17 DT C3' C 13 73.39 0.02 . 1 . . . . . . . . 5640 1
stop_
save_