Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 34805
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_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 '2D 1H-1H NOESY' . . . 34805 1
2 '2D 1H-31P COSY' . . . 34805 1
3 '2D 1H-1H TOCSY' . . . 34805 1
4 '2D 1H-13C HSQC' . . . 34805 1
5 '2D 1H-1H NOESY' . . . 34805 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 DC H1' H 1 5.817 0.01 . 1 . . . . A 1 DC H1' . 34805 1
2 . 1 . 1 1 1 DC H2' H 1 1.991 0.01 . 1 . . . . A 1 DC H2' . 34805 1
3 . 1 . 1 1 1 DC H2'' H 1 2.454 0.01 . 1 . . . . A 1 DC H2'' . 34805 1
4 . 1 . 1 1 1 DC H3' H 1 4.736 0.01 . 1 . . . . A 1 DC H3' . 34805 1
5 . 1 . 1 1 1 DC H4' H 1 4.105 0.01 . 1 . . . . A 1 DC H4' . 34805 1
6 . 1 . 1 1 1 DC H5 H 1 5.962 0.01 . 1 . . . . A 1 DC H5 . 34805 1
7 . 1 . 1 1 1 DC H5' H 1 3.776 0.01 . 2 . . . . A 1 DC H5' . 34805 1
8 . 1 . 1 1 1 DC H5'' H 1 3.750 0.01 . 2 . . . . A 1 DC H5'' . 34805 1
9 . 1 . 1 1 1 DC H6 H 1 7.684 0.01 . 1 . . . . A 1 DC H6 . 34805 1
10 . 1 . 1 2 2 DG H1' H 1 5.950 0.01 . 1 . . . . A 2 DG H1' . 34805 1
11 . 1 . 1 2 2 DG H2' H 1 2.734 0.01 . 1 . . . . A 2 DG H2' . 34805 1
12 . 1 . 1 2 2 DG H2'' H 1 2.773 0.01 . 1 . . . . A 2 DG H2'' . 34805 1
13 . 1 . 1 2 2 DG H3' H 1 5.019 0.01 . 1 . . . . A 2 DG H3' . 34805 1
14 . 1 . 1 2 2 DG H4' H 1 4.401 0.01 . 1 . . . . A 2 DG H4' . 34805 1
15 . 1 . 1 2 2 DG H5'' H 1 4.038 0.01 . 2 . . . . A 2 DG H5'' . 34805 1
16 . 1 . 1 2 2 DG H8 H 1 8.024 0.01 . 1 . . . . A 2 DG H8 . 34805 1
17 . 1 . 1 2 2 DG P P 31 -4.201 0.05 . 1 . . . . A 2 DG P . 34805 1
18 . 1 . 1 3 3 DC H1' H 1 6.063 0.01 . 1 . . . . A 3 DC H1' . 34805 1
19 . 1 . 1 3 3 DC H2' H 1 2.150 0.01 . 1 . . . . A 3 DC H2' . 34805 1
20 . 1 . 1 3 3 DC H2'' H 1 2.495 0.01 . 1 . . . . A 3 DC H2'' . 34805 1
21 . 1 . 1 3 3 DC H3' H 1 4.892 0.01 . 1 . . . . A 3 DC H3' . 34805 1
22 . 1 . 1 3 3 DC H4' H 1 4.288 0.01 . 1 . . . . A 3 DC H4' . 34805 1
23 . 1 . 1 3 3 DC H5 H 1 5.463 0.01 . 1 . . . . A 3 DC H5 . 34805 1
24 . 1 . 1 3 3 DC H5' H 1 4.241 0.01 . 2 . . . . A 3 DC H5' . 34805 1
25 . 1 . 1 3 3 DC H5'' H 1 4.171 0.01 . 2 . . . . A 3 DC H5'' . 34805 1
26 . 1 . 1 3 3 DC H6 H 1 7.493 0.01 . 1 . . . . A 3 DC H6 . 34805 1
27 . 1 . 1 3 3 DC P P 31 -4.338 0.05 . 1 . . . . A 3 DC P . 34805 1
28 . 1 . 1 4 4 DC H1' H 1 5.626 0.01 . 1 . . . . A 4 DC H1' . 34805 1
29 . 1 . 1 4 4 DC H2' H 1 1.762 0.01 . 1 . . . . A 4 DC H2' . 34805 1
30 . 1 . 1 4 4 DC H2'' H 1 2.184 0.01 . 1 . . . . A 4 DC H2'' . 34805 1
31 . 1 . 1 4 4 DC H3' H 1 4.820 0.01 . 1 . . . . A 4 DC H3' . 34805 1
32 . 1 . 1 4 4 DC H4' H 1 4.091 0.01 . 1 . . . . A 4 DC H4' . 34805 1
33 . 1 . 1 4 4 DC H5 H 1 5.624 0.01 . 1 . . . . A 4 DC H5 . 34805 1
34 . 1 . 1 4 4 DC H6 H 1 7.354 0.01 . 1 . . . . A 4 DC H6 . 34805 1
35 . 1 . 1 4 4 DC P P 31 -4.261 0.05 . 1 . . . . A 4 DC P . 34805 1
36 . 1 . 1 5 5 DG H1' H 1 5.960 0.01 . 1 . . . . A 5 DG H1' . 34805 1
37 . 1 . 1 5 5 DG H2' H 1 2.180 0.01 . 1 . . . . A 5 DG H2' . 34805 1
38 . 1 . 1 5 5 DG H2'' H 1 2.427 0.01 . 1 . . . . A 5 DG H2'' . 34805 1
39 . 1 . 1 5 5 DG H3' H 1 4.973 0.01 . 1 . . . . A 5 DG H3' . 34805 1
40 . 1 . 1 5 5 DG H4' H 1 4.387 0.01 . 1 . . . . A 5 DG H4' . 34805 1
41 . 1 . 1 5 5 DG H8 H 1 7.455 0.01 . 1 . . . . A 5 DG H8 . 34805 1
42 . 1 . 1 5 5 DG P P 31 -4.249 0.05 . 1 . . . . A 5 DG P . 34805 1
43 . 1 . 1 6 6 DG H1' H 1 5.731 0.01 . 1 . . . . A 6 DG H1' . 34805 1
44 . 1 . 1 6 6 DG H2' H 1 3.134 0.01 . 2 . . . . A 6 DG H2' . 34805 1
45 . 1 . 1 6 6 DG H2'' H 1 3.148 0.01 . 2 . . . . A 6 DG H2'' . 34805 1
46 . 1 . 1 6 6 DG H3' H 1 5.267 0.01 . 1 . . . . A 6 DG H3' . 34805 1
47 . 1 . 1 6 6 DG H4' H 1 4.962 0.01 . 1 . . . . A 6 DG H4' . 34805 1
48 . 1 . 1 6 6 DG H8 H 1 8.303 0.01 . 1 . . . . A 6 DG H8 . 34805 1
49 . 1 . 1 7 7 DG H1' H 1 6.394 0.01 . 1 . . . . A 7 DG H1' . 34805 1
50 . 1 . 1 7 7 DG H2' H 1 3.251 0.01 . 2 . . . . A 7 DG H2' . 34805 1
51 . 1 . 1 7 7 DG H2'' H 1 3.027 0.01 . 2 . . . . A 7 DG H2'' . 34805 1
52 . 1 . 1 7 7 DG H3' H 1 4.922 0.01 . 1 . . . . A 7 DG H3' . 34805 1
53 . 1 . 1 7 7 DG H4' H 1 4.524 0.01 . 1 . . . . A 7 DG H4' . 34805 1
54 . 1 . 1 7 7 DG H5' H 1 4.659 0.01 . 2 . . . . A 7 DG H5' . 34805 1
55 . 1 . 1 7 7 DG H5'' H 1 4.387 0.01 . 2 . . . . A 7 DG H5'' . 34805 1
56 . 1 . 1 7 7 DG H8 H 1 8.481 0.01 . 1 . . . . A 7 DG H8 . 34805 1
57 . 1 . 1 7 7 DG P P 31 -3.983 0.05 . 1 . . . . A 7 DG P . 34805 1
58 . 1 . 1 8 8 DG H1' H 1 6.025 0.01 . 1 . . . . A 8 DG H1' . 34805 1
59 . 1 . 1 8 8 DG H2' H 1 2.581 0.01 . 2 . . . . A 8 DG H2' . 34805 1
60 . 1 . 1 8 8 DG H2'' H 1 2.835 0.01 . 2 . . . . A 8 DG H2'' . 34805 1
61 . 1 . 1 8 8 DG H3' H 1 4.915 0.01 . 1 . . . . A 8 DG H3' . 34805 1
62 . 1 . 1 8 8 DG H4' H 1 4.365 0.01 . 1 . . . . A 8 DG H4' . 34805 1
63 . 1 . 1 8 8 DG H8 H 1 7.801 0.01 . 1 . . . . A 8 DG H8 . 34805 1
64 . 1 . 1 8 8 DG P P 31 -4.282 0.05 . 1 . . . . A 8 DG P . 34805 1
65 . 1 . 1 9 9 DT H1' H 1 6.074 0.01 . 1 . . . . A 9 DT H1' . 34805 1
66 . 1 . 1 9 9 DT H2' H 1 1.876 0.01 . 2 . . . . A 9 DT H2' . 34805 1
67 . 1 . 1 9 9 DT H2'' H 1 2.440 0.01 . 2 . . . . A 9 DT H2'' . 34805 1
68 . 1 . 1 9 9 DT H3' H 1 4.792 0.01 . 1 . . . . A 9 DT H3' . 34805 1
69 . 1 . 1 9 9 DT H4' H 1 4.216 0.01 . 1 . . . . A 9 DT H4' . 34805 1
70 . 1 . 1 9 9 DT H6 H 1 7.457 0.01 . 1 . . . . A 9 DT H6 . 34805 1
71 . 1 . 1 9 9 DT H71 H 1 1.413 0.01 . 3 . . . . A 9 DT H71 . 34805 1
72 . 1 . 1 9 9 DT H72 H 1 1.413 0.01 . 3 . . . . A 9 DT H72 . 34805 1
73 . 1 . 1 9 9 DT H73 H 1 1.413 0.01 . 3 . . . . A 9 DT H73 . 34805 1
74 . 1 . 1 9 9 DT P P 31 -4.481 0.05 . 1 . . . . A 9 DT P . 34805 1
75 . 1 . 1 10 10 DC H1' H 1 6.036 0.01 . 1 . . . . A 10 DC H1' . 34805 1
76 . 1 . 1 10 10 DC H2' H 1 1.711 0.01 . 1 . . . . A 10 DC H2' . 34805 1
77 . 1 . 1 10 10 DC H2'' H 1 2.259 0.01 . 1 . . . . A 10 DC H2'' . 34805 1
78 . 1 . 1 10 10 DC H3' H 1 4.827 0.01 . 1 . . . . A 10 DC H3' . 34805 1
79 . 1 . 1 10 10 DC H4' H 1 4.245 0.01 . 1 . . . . A 10 DC H4' . 34805 1
80 . 1 . 1 10 10 DC H5 H 1 5.480 0.01 . 1 . . . . A 10 DC H5 . 34805 1
81 . 1 . 1 10 10 DC H6 H 1 7.232 0.01 . 1 . . . . A 10 DC H6 . 34805 1
82 . 1 . 1 10 10 DC P P 31 -4.643 0.05 . 1 . . . . A 10 DC P . 34805 1
83 . 1 . 1 11 11 DG H1' H 1 5.360 0.01 . 1 . . . . A 11 DG H1' . 34805 1
84 . 1 . 1 11 11 DG H2' H 1 2.702 0.01 . 1 . . . . A 11 DG H2' . 34805 1
85 . 1 . 1 11 11 DG H2'' H 1 2.563 0.01 . 1 . . . . A 11 DG H2'' . 34805 1
86 . 1 . 1 11 11 DG H3' H 1 4.920 0.01 . 1 . . . . A 11 DG H3' . 34805 1
87 . 1 . 1 11 11 DG H4' H 1 4.486 0.01 . 1 . . . . A 11 DG H4' . 34805 1
88 . 1 . 1 11 11 DG H8 H 1 8.115 0.01 . 1 . . . . A 11 DG H8 . 34805 1
89 . 1 . 1 11 11 DG P P 31 -4.974 0.05 . 1 . . . . A 11 DG P . 34805 1
90 . 1 . 1 12 12 DA H1' H 1 5.991 0.01 . 1 . . . . A 12 DA H1' . 34805 1
91 . 1 . 1 12 12 DA H2' H 1 2.293 0.01 . 1 . . . . A 12 DA H2' . 34805 1
92 . 1 . 1 12 12 DA H2'' H 1 2.345 0.01 . 1 . . . . A 12 DA H2'' . 34805 1
93 . 1 . 1 12 12 DA H3' H 1 4.595 0.01 . 1 . . . . A 12 DA H3' . 34805 1
94 . 1 . 1 12 12 DA H4' H 1 2.147 0.01 . 1 . . . . A 12 DA H4' . 34805 1
95 . 1 . 1 12 12 DA H5' H 1 3.396 0.01 . 2 . . . . A 12 DA H5' . 34805 1
96 . 1 . 1 12 12 DA H5'' H 1 3.087 0.01 . 2 . . . . A 12 DA H5'' . 34805 1
97 . 1 . 1 12 12 DA H8 H 1 8.150 0.01 . 1 . . . . A 12 DA H8 . 34805 1
98 . 1 . 1 12 12 DA P P 31 -4.659 0.05 . 1 . . . . A 12 DA P . 34805 1
99 . 1 . 1 13 13 DA H1' H 1 6.240 0.01 . 1 . . . . A 13 DA H1' . 34805 1
100 . 1 . 1 13 13 DA H2 H 1 8.088 0.01 . 1 . . . . A 13 DA H2 . 34805 1
101 . 1 . 1 13 13 DA H2' H 1 2.863 0.01 . 2 . . . . A 13 DA H2' . 34805 1
102 . 1 . 1 13 13 DA H2'' H 1 2.862 0.01 . 2 . . . . A 13 DA H2'' . 34805 1
103 . 1 . 1 13 13 DA H3' H 1 4.860 0.01 . 1 . . . . A 13 DA H3' . 34805 1
104 . 1 . 1 13 13 DA H4' H 1 4.366 0.01 . 1 . . . . A 13 DA H4' . 34805 1
105 . 1 . 1 13 13 DA H8 H 1 7.986 0.01 . 1 . . . . A 13 DA H8 . 34805 1
106 . 1 . 1 13 13 DA P P 31 -4.756 0.05 . 1 . . . . A 13 DA P . 34805 1
107 . 1 . 1 14 14 DG H1' H 1 5.077 0.01 . 1 . . . . A 14 DG H1' . 34805 1
108 . 1 . 1 14 14 DG H2' H 1 2.637 0.01 . 1 . . . . A 14 DG H2' . 34805 1
109 . 1 . 1 14 14 DG H2'' H 1 2.579 0.01 . 1 . . . . A 14 DG H2'' . 34805 1
110 . 1 . 1 14 14 DG H3' H 1 4.913 0.01 . 1 . . . . A 14 DG H3' . 34805 1
111 . 1 . 1 14 14 DG H4' H 1 4.367 0.01 . 1 . . . . A 14 DG H4' . 34805 1
112 . 1 . 1 14 14 DG H5' H 1 4.274 0.01 . 2 . . . . A 14 DG H5' . 34805 1
113 . 1 . 1 14 14 DG H5'' H 1 4.136 0.01 . 2 . . . . A 14 DG H5'' . 34805 1
114 . 1 . 1 14 14 DG H8 H 1 8.060 0.01 . 1 . . . . A 14 DG H8 . 34805 1
115 . 1 . 1 14 14 DG P P 31 -5.189 0.05 . 1 . . . . A 14 DG P . 34805 1
116 . 1 . 1 15 15 DA H1' H 1 6.249 0.01 . 1 . . . . A 15 DA H1' . 34805 1
117 . 1 . 1 15 15 DA H2 H 1 8.071 0.01 . 1 . . . . A 15 DA H2 . 34805 1
118 . 1 . 1 15 15 DA H2' H 1 2.588 0.01 . 1 . . . . A 15 DA H2' . 34805 1
119 . 1 . 1 15 15 DA H2'' H 1 2.775 0.01 . 1 . . . . A 15 DA H2'' . 34805 1
120 . 1 . 1 15 15 DA H3' H 1 5.034 0.01 . 1 . . . . A 15 DA H3' . 34805 1
121 . 1 . 1 15 15 DA H4' H 1 4.468 0.01 . 1 . . . . A 15 DA H4' . 34805 1
122 . 1 . 1 15 15 DA H5' H 1 4.195 0.01 . 2 . . . . A 15 DA H5' . 34805 1
123 . 1 . 1 15 15 DA H5'' H 1 4.121 0.01 . 2 . . . . A 15 DA H5'' . 34805 1
124 . 1 . 1 15 15 DA H8 H 1 8.193 0.01 . 1 . . . . A 15 DA H8 . 34805 1
125 . 1 . 1 15 15 DA P P 31 -3.699 0.05 . 1 . . . . A 15 DA P . 34805 1
126 . 1 . 1 16 16 DC H1' H 1 5.950 0.01 . 1 . . . . A 16 DC H1' . 34805 1
127 . 1 . 1 16 16 DC H2' H 1 1.975 0.01 . 1 . . . . A 16 DC H2' . 34805 1
128 . 1 . 1 16 16 DC H2'' H 1 2.334 0.01 . 1 . . . . A 16 DC H2'' . 34805 1
129 . 1 . 1 16 16 DC H3' H 1 4.813 0.01 . 1 . . . . A 16 DC H3' . 34805 1
130 . 1 . 1 16 16 DC H4' H 1 4.198 0.01 . 1 . . . . A 16 DC H4' . 34805 1
131 . 1 . 1 16 16 DC H5 H 1 5.022 0.01 . 1 . . . . A 16 DC H5 . 34805 1
132 . 1 . 1 16 16 DC H6 H 1 7.231 0.01 . 1 . . . . A 16 DC H6 . 34805 1
133 . 1 . 1 16 16 DC P P 31 -4.393 0.05 . 1 . . . . A 16 DC P . 34805 1
134 . 1 . 1 17 17 DT H1' H 1 5.444 0.01 . 1 . . . . A 17 DT H1' . 34805 1
135 . 1 . 1 17 17 DT H2' H 1 0.615 0.01 . 1 . . . . A 17 DT H2' . 34805 1
136 . 1 . 1 17 17 DT H2'' H 1 1.566 0.01 . 1 . . . . A 17 DT H2'' . 34805 1
137 . 1 . 1 17 17 DT H3' H 1 4.399 0.01 . 1 . . . . A 17 DT H3' . 34805 1
138 . 1 . 1 17 17 DT H4' H 1 4.183 0.01 . 1 . . . . A 17 DT H4' . 34805 1
139 . 1 . 1 17 17 DT H5' H 1 4.136 0.01 . 2 . . . . A 17 DT H5' . 34805 1
140 . 1 . 1 17 17 DT H5'' H 1 3.700 0.01 . 2 . . . . A 17 DT H5'' . 34805 1
141 . 1 . 1 17 17 DT H6 H 1 6.969 0.01 . 1 . . . . A 17 DT H6 . 34805 1
142 . 1 . 1 17 17 DT H71 H 1 1.343 0.01 . 3 . . . . A 17 DT H71 . 34805 1
143 . 1 . 1 17 17 DT H72 H 1 1.343 0.01 . 3 . . . . A 17 DT H72 . 34805 1
144 . 1 . 1 17 17 DT H73 H 1 1.343 0.01 . 3 . . . . A 17 DT H73 . 34805 1
145 . 1 . 1 17 17 DT P P 31 -5.116 0.05 . 1 . . . . A 17 DT P . 34805 1
146 . 1 . 1 18 18 DG H1' H 1 5.380 0.01 . 1 . . . . A 18 DG H1' . 34805 1
147 . 1 . 1 18 18 DG H2' H 1 2.853 0.01 . 1 . . . . A 18 DG H2' . 34805 1
148 . 1 . 1 18 18 DG H2'' H 1 2.494 0.01 . 1 . . . . A 18 DG H2'' . 34805 1
149 . 1 . 1 18 18 DG H3' H 1 4.980 0.01 . 1 . . . . A 18 DG H3' . 34805 1
150 . 1 . 1 18 18 DG H4' H 1 4.259 0.01 . 1 . . . . A 18 DG H4' . 34805 1
151 . 1 . 1 18 18 DG H5'' H 1 3.841 0.01 . 2 . . . . A 18 DG H5'' . 34805 1
152 . 1 . 1 18 18 DG H8 H 1 7.974 0.01 . 1 . . . . A 18 DG H8 . 34805 1
153 . 1 . 1 18 18 DG P P 31 -4.599 0.05 . 1 . . . . A 18 DG P . 34805 1
154 . 1 . 1 19 19 DC H1' H 1 6.251 0.01 . 1 . . . . A 19 DC H1' . 34805 1
155 . 1 . 1 19 19 DC H2' H 1 2.035 0.01 . 1 . . . . A 19 DC H2' . 34805 1
156 . 1 . 1 19 19 DC H2'' H 1 2.405 0.01 . 1 . . . . A 19 DC H2'' . 34805 1
157 . 1 . 1 19 19 DC H3' H 1 4.969 0.01 . 1 . . . . A 19 DC H3' . 34805 1
158 . 1 . 1 19 19 DC H4' H 1 4.443 0.01 . 1 . . . . A 19 DC H4' . 34805 1
159 . 1 . 1 19 19 DC H5 H 1 5.877 0.01 . 1 . . . . A 19 DC H5 . 34805 1
160 . 1 . 1 19 19 DC H6 H 1 7.600 0.01 . 1 . . . . A 19 DC H6 . 34805 1
161 . 1 . 1 19 19 DC P P 31 -2.962 0.05 . 1 . . . . A 19 DC P . 34805 1
162 . 1 . 1 20 20 DC H1' H 1 6.469 0.01 . 1 . . . . A 20 DC H1' . 34805 1
163 . 1 . 1 20 20 DC H2' H 1 2.774 0.01 . 2 . . . . A 20 DC H2' . 34805 1
164 . 1 . 1 20 20 DC H2'' H 1 2.775 0.01 . 2 . . . . A 20 DC H2'' . 34805 1
165 . 1 . 1 20 20 DC H3' H 1 5.173 0.01 . 1 . . . . A 20 DC H3' . 34805 1
166 . 1 . 1 20 20 DC H4' H 1 4.822 0.01 . 1 . . . . A 20 DC H4' . 34805 1
167 . 1 . 1 20 20 DC H5 H 1 5.886 0.01 . 1 . . . . A 20 DC H5 . 34805 1
168 . 1 . 1 20 20 DC H5' H 1 4.362 0.01 . 2 . . . . A 20 DC H5' . 34805 1
169 . 1 . 1 20 20 DC H5'' H 1 4.087 0.01 . 2 . . . . A 20 DC H5'' . 34805 1
170 . 1 . 1 20 20 DC H6 H 1 7.859 0.01 . 1 . . . . A 20 DC H6 . 34805 1
171 . 1 . 1 20 20 DC P P 31 -4.979 0.05 . 1 . . . . A 20 DC P . 34805 1
172 . 1 . 1 21 21 DA H1' H 1 6.333 0.01 . 1 . . . . A 21 DA H1' . 34805 1
173 . 1 . 1 21 21 DA H2 H 1 8.195 0.01 . 1 . . . . A 21 DA H2 . 34805 1
174 . 1 . 1 21 21 DA H2' H 1 2.171 0.01 . 1 . . . . A 21 DA H2' . 34805 1
175 . 1 . 1 21 21 DA H2'' H 1 2.825 0.01 . 1 . . . . A 21 DA H2'' . 34805 1
176 . 1 . 1 21 21 DA H3' H 1 5.213 0.01 . 1 . . . . A 21 DA H3' . 34805 1
177 . 1 . 1 21 21 DA H4' H 1 4.351 0.01 . 1 . . . . A 21 DA H4' . 34805 1
178 . 1 . 1 21 21 DA H5' H 1 4.476 0.01 . 2 . . . . A 21 DA H5' . 34805 1
179 . 1 . 1 21 21 DA H5'' H 1 4.219 0.01 . 2 . . . . A 21 DA H5'' . 34805 1
180 . 1 . 1 21 21 DA H8 H 1 7.876 0.01 . 1 . . . . A 21 DA H8 . 34805 1
181 . 1 . 1 21 21 DA P P 31 -3.094 0.05 . 1 . . . . A 21 DA P . 34805 1
182 . 1 . 1 22 22 DG H1' H 1 5.960 0.01 . 1 . . . . A 22 DG H1' . 34805 1
183 . 1 . 1 22 22 DG H2' H 1 2.496 0.01 . 2 . . . . A 22 DG H2' . 34805 1
184 . 1 . 1 22 22 DG H2'' H 1 2.525 0.01 . 2 . . . . A 22 DG H2'' . 34805 1
185 . 1 . 1 22 22 DG H3' H 1 4.707 0.01 . 1 . . . . A 22 DG H3' . 34805 1
186 . 1 . 1 22 22 DG H4' H 1 4.372 0.01 . 1 . . . . A 22 DG H4' . 34805 1
187 . 1 . 1 22 22 DG H8 H 1 8.005 0.01 . 1 . . . . A 22 DG H8 . 34805 1
188 . 1 . 1 22 22 DG P P 31 -4.146 0.05 . 1 . . . . A 22 DG P . 34805 1
189 . 1 . 1 23 23 DC H1' H 1 5.507 0.01 . 1 . . . . A 23 DC H1' . 34805 1
190 . 1 . 1 23 23 DC H2' H 1 1.830 0.01 . 1 . . . . A 23 DC H2' . 34805 1
191 . 1 . 1 23 23 DC H2'' H 1 2.304 0.01 . 1 . . . . A 23 DC H2'' . 34805 1
192 . 1 . 1 23 23 DC H3' H 1 4.490 0.01 . 1 . . . . A 23 DC H3' . 34805 1
193 . 1 . 1 23 23 DC H4' H 1 3.532 0.01 . 1 . . . . A 23 DC H4' . 34805 1
194 . 1 . 1 23 23 DC H5 H 1 6.244 0.01 . 1 . . . . A 23 DC H5 . 34805 1
195 . 1 . 1 23 23 DC H5' H 1 3.790 0.01 . 2 . . . . A 23 DC H5' . 34805 1
196 . 1 . 1 23 23 DC H5'' H 1 3.668 0.01 . 2 . . . . A 23 DC H5'' . 34805 1
197 . 1 . 1 23 23 DC H6 H 1 7.683 0.01 . 1 . . . . A 23 DC H6 . 34805 1
198 . 1 . 1 23 23 DC P P 31 -3.730 0.05 . 1 . . . . A 23 DC P . 34805 1
199 . 1 . 1 24 24 DG H1' H 1 5.722 0.01 . 1 . . . . A 24 DG H1' . 34805 1
200 . 1 . 1 24 24 DG H2' H 1 2.577 0.01 . 1 . . . . A 24 DG H2' . 34805 1
201 . 1 . 1 24 24 DG H2'' H 1 2.829 0.01 . 1 . . . . A 24 DG H2'' . 34805 1
202 . 1 . 1 24 24 DG H3' H 1 4.731 0.01 . 1 . . . . A 24 DG H3' . 34805 1
203 . 1 . 1 24 24 DG H4' H 1 4.291 0.01 . 1 . . . . A 24 DG H4' . 34805 1
204 . 1 . 1 24 24 DG H5' H 1 3.850 0.01 . 2 . . . . A 24 DG H5' . 34805 1
205 . 1 . 1 24 24 DG H5'' H 1 3.567 0.01 . 2 . . . . A 24 DG H5'' . 34805 1
206 . 1 . 1 24 24 DG H8 H 1 7.730 0.01 . 1 . . . . A 24 DG H8 . 34805 1
207 . 1 . 1 24 24 DG P P 31 -4.113 0.05 . 1 . . . . A 24 DG P . 34805 1
208 . 1 . 1 25 25 DG H1' H 1 5.218 0.01 . 1 . . . . A 25 DG H1' . 34805 1
209 . 1 . 1 25 25 DG H2' H 1 2.459 0.01 . 1 . . . . A 25 DG H2' . 34805 1
210 . 1 . 1 25 25 DG H2'' H 1 2.328 0.01 . 1 . . . . A 25 DG H2'' . 34805 1
211 . 1 . 1 25 25 DG H3' H 1 4.794 0.01 . 1 . . . . A 25 DG H3' . 34805 1
212 . 1 . 1 25 25 DG H4' H 1 4.031 0.01 . 1 . . . . A 25 DG H4' . 34805 1
213 . 1 . 1 25 25 DG H8 H 1 7.736 0.01 . 1 . . . . A 25 DG H8 . 34805 1
214 . 1 . 1 26 26 DC H1' H 1 6.076 0.01 . 1 . . . . A 26 DC H1' . 34805 1
215 . 1 . 1 26 26 DC H2' H 1 2.210 0.01 . 2 . . . . A 26 DC H2' . 34805 1
216 . 1 . 1 26 26 DC H2'' H 1 2.461 0.01 . 2 . . . . A 26 DC H2'' . 34805 1
217 . 1 . 1 26 26 DC H3' H 1 4.720 0.01 . 1 . . . . A 26 DC H3' . 34805 1
218 . 1 . 1 26 26 DC H4' H 1 3.696 0.01 . 1 . . . . A 26 DC H4' . 34805 1
219 . 1 . 1 26 26 DC H5 H 1 5.659 0.01 . 1 . . . . A 26 DC H5 . 34805 1
220 . 1 . 1 26 26 DC H5' H 1 3.809 0.01 . 2 . . . . A 26 DC H5' . 34805 1
221 . 1 . 1 26 26 DC H5'' H 1 3.777 0.01 . 2 . . . . A 26 DC H5'' . 34805 1
222 . 1 . 1 26 26 DC H6 H 1 7.458 0.01 . 1 . . . . A 26 DC H6 . 34805 1
223 . 1 . 1 26 26 DC P P 31 -3.442 0.05 . 1 . . . . A 26 DC P . 34805 1
224 . 1 . 1 27 27 DT H1' H 1 6.131 0.01 . 1 . . . . A 27 DT H1' . 34805 1
225 . 1 . 1 27 27 DT H2' H 1 1.626 0.01 . 1 . . . . A 27 DT H2' . 34805 1
226 . 1 . 1 27 27 DT H2'' H 1 2.306 0.01 . 1 . . . . A 27 DT H2'' . 34805 1
227 . 1 . 1 27 27 DT H3' H 1 4.651 0.01 . 1 . . . . A 27 DT H3' . 34805 1
228 . 1 . 1 27 27 DT H4' H 1 4.197 0.01 . 1 . . . . A 27 DT H4' . 34805 1
229 . 1 . 1 27 27 DT H5' H 1 4.031 0.01 . 2 . . . . A 27 DT H5' . 34805 1
230 . 1 . 1 27 27 DT H6 H 1 7.244 0.01 . 1 . . . . A 27 DT H6 . 34805 1
231 . 1 . 1 27 27 DT H71 H 1 1.652 0.01 . 3 . . . . A 27 DT H71 . 34805 1
232 . 1 . 1 27 27 DT H72 H 1 1.652 0.01 . 3 . . . . A 27 DT H72 . 34805 1
233 . 1 . 1 27 27 DT H73 H 1 1.652 0.01 . 3 . . . . A 27 DT H73 . 34805 1
234 . 1 . 1 27 27 DT P P 31 -4.902 0.05 . 1 . . . . A 27 DT P . 34805 1
235 . 1 . 1 28 28 DC H1' H 1 6.008 0.01 . 1 . . . . A 28 DC H1' . 34805 1
236 . 1 . 1 28 28 DC H2' H 1 2.146 0.01 . 2 . . . . A 28 DC H2' . 34805 1
237 . 1 . 1 28 28 DC H2'' H 1 2.393 0.01 . 2 . . . . A 28 DC H2'' . 34805 1
238 . 1 . 1 28 28 DC H3' H 1 4.878 0.01 . 1 . . . . A 28 DC H3' . 34805 1
239 . 1 . 1 28 28 DC H4' H 1 4.278 0.01 . 1 . . . . A 28 DC H4' . 34805 1
240 . 1 . 1 28 28 DC H5 H 1 5.617 0.01 . 1 . . . . A 28 DC H5 . 34805 1
241 . 1 . 1 28 28 DC H5' H 1 3.964 0.01 . 2 . . . . A 28 DC H5' . 34805 1
242 . 1 . 1 28 28 DC H6 H 1 7.300 0.01 . 1 . . . . A 28 DC H6 . 34805 1
243 . 1 . 1 28 28 DC P P 31 -4.750 0.05 . 1 . . . . A 28 DC P . 34805 1
244 . 1 . 1 29 29 DG H3' H 1 5.013 0.01 . 1 . . . . A 29 DG H3' . 34805 1
245 . 1 . 1 29 29 DG H4' H 1 4.509 0.01 . 1 . . . . A 29 DG H4' . 34805 1
246 . 1 . 1 29 29 DG H8 H 1 8.111 0.01 . 1 . . . . A 29 DG H8 . 34805 1
247 . 1 . 1 29 29 DG P P 31 -5.175 0.05 . 1 . . . . A 29 DG P . 34805 1
248 . 1 . 1 30 30 DA H1' H 1 5.149 0.01 . 1 . . . . A 30 DA H1' . 34805 1
249 . 1 . 1 30 30 DA H2 H 1 8.476 0.01 . 1 . . . . A 30 DA H2 . 34805 1
250 . 1 . 1 30 30 DA H2' H 1 1.424 0.01 . 2 . . . . A 30 DA H2' . 34805 1
251 . 1 . 1 30 30 DA H2'' H 1 2.327 0.01 . 2 . . . . A 30 DA H2'' . 34805 1
252 . 1 . 1 30 30 DA H3' H 1 4.675 0.01 . 1 . . . . A 30 DA H3' . 34805 1
253 . 1 . 1 30 30 DA H4' H 1 3.335 0.01 . 1 . . . . A 30 DA H4' . 34805 1
254 . 1 . 1 30 30 DA H5' H 1 3.944 0.01 . 2 . . . . A 30 DA H5' . 34805 1
255 . 1 . 1 30 30 DA H5'' H 1 3.677 0.01 . 2 . . . . A 30 DA H5'' . 34805 1
256 . 1 . 1 30 30 DA H8 H 1 8.122 0.01 . 1 . . . . A 30 DA H8 . 34805 1
257 . 1 . 1 30 30 DA P P 31 -2.817 0.05 . 1 . . . . A 30 DA P . 34805 1
258 . 1 . 1 31 31 DC H1' H 1 5.010 0.01 . 1 . . . . A 31 DC H1' . 34805 1
259 . 1 . 1 31 31 DC H2' H 1 2.114 0.01 . 1 . . . . A 31 DC H2' . 34805 1
260 . 1 . 1 31 31 DC H2'' H 1 2.307 0.01 . 1 . . . . A 31 DC H2'' . 34805 1
261 . 1 . 1 31 31 DC H3' H 1 4.799 0.01 . 1 . . . . A 31 DC H3' . 34805 1
262 . 1 . 1 31 31 DC H4' H 1 3.980 0.01 . 1 . . . . A 31 DC H4' . 34805 1
263 . 1 . 1 31 31 DC H5 H 1 5.757 0.01 . 1 . . . . A 31 DC H5 . 34805 1
264 . 1 . 1 31 31 DC H5'' H 1 3.837 0.01 . 2 . . . . A 31 DC H5'' . 34805 1
265 . 1 . 1 31 31 DC H6 H 1 7.402 0.01 . 1 . . . . A 31 DC H6 . 34805 1
266 . 1 . 1 31 31 DC P P 31 -4.943 0.05 . 1 . . . . A 31 DC P . 34805 1
267 . 1 . 1 32 32 DG H1' H 1 5.717 0.01 . 1 . . . . A 32 DG H1' . 34805 1
268 . 1 . 1 32 32 DG H2' H 1 2.732 0.01 . 1 . . . . A 32 DG H2' . 34805 1
269 . 1 . 1 32 32 DG H2'' H 1 2.838 0.01 . 1 . . . . A 32 DG H2'' . 34805 1
270 . 1 . 1 32 32 DG H3' H 1 5.046 0.01 . 1 . . . . A 32 DG H3' . 34805 1
271 . 1 . 1 32 32 DG H4' H 1 4.426 0.01 . 1 . . . . A 32 DG H4' . 34805 1
272 . 1 . 1 32 32 DG H5' H 1 4.133 0.01 . 2 . . . . A 32 DG H5' . 34805 1
273 . 1 . 1 32 32 DG H5'' H 1 4.033 0.01 . 2 . . . . A 32 DG H5'' . 34805 1
274 . 1 . 1 32 32 DG H8 H 1 7.902 0.01 . 1 . . . . A 32 DG H8 . 34805 1
275 . 1 . 1 32 32 DG P P 31 -3.736 0.05 . 1 . . . . A 32 DG P . 34805 1
276 . 1 . 1 33 33 DG H1' H 1 5.906 0.01 . 1 . . . . A 33 DG H1' . 34805 1
277 . 1 . 1 33 33 DG H2' H 1 2.595 0.01 . 1 . . . . A 33 DG H2' . 34805 1
278 . 1 . 1 33 33 DG H2'' H 1 2.739 0.01 . 1 . . . . A 33 DG H2'' . 34805 1
279 . 1 . 1 33 33 DG H3' H 1 5.023 0.01 . 1 . . . . A 33 DG H3' . 34805 1
280 . 1 . 1 33 33 DG H4' H 1 4.431 0.01 . 1 . . . . A 33 DG H4' . 34805 1
281 . 1 . 1 33 33 DG H8 H 1 7.809 0.01 . 1 . . . . A 33 DG H8 . 34805 1
282 . 1 . 1 33 33 DG P P 31 -4.402 0.05 . 1 . . . . A 33 DG P . 34805 1
283 . 1 . 1 34 34 DC H1' H 1 5.794 0.01 . 1 . . . . A 34 DC H1' . 34805 1
284 . 1 . 1 34 34 DC H2' H 1 1.923 0.01 . 1 . . . . A 34 DC H2' . 34805 1
285 . 1 . 1 34 34 DC H2'' H 1 2.367 0.01 . 1 . . . . A 34 DC H2'' . 34805 1
286 . 1 . 1 34 34 DC H3' H 1 4.834 0.01 . 1 . . . . A 34 DC H3' . 34805 1
287 . 1 . 1 34 34 DC H4' H 1 4.172 0.01 . 1 . . . . A 34 DC H4' . 34805 1
288 . 1 . 1 34 34 DC H5 H 1 5.448 0.01 . 1 . . . . A 34 DC H5 . 34805 1
289 . 1 . 1 34 34 DC H6 H 1 7.327 0.01 . 1 . . . . A 34 DC H6 . 34805 1
290 . 1 . 1 34 34 DC P P 31 -4.230 0.05 . 1 . . . . A 34 DC P . 34805 1
291 . 1 . 1 35 35 DG H1' H 1 6.188 0.01 . 1 . . . . A 35 DG H1' . 34805 1
292 . 1 . 1 35 35 DG H2' H 1 2.633 0.01 . 1 . . . . A 35 DG H2' . 34805 1
293 . 1 . 1 35 35 DG H2'' H 1 2.405 0.01 . 1 . . . . A 35 DG H2'' . 34805 1
294 . 1 . 1 35 35 DG H3' H 1 4.699 0.01 . 1 . . . . A 35 DG H3' . 34805 1
295 . 1 . 1 35 35 DG H4' H 1 4.195 0.01 . 1 . . . . A 35 DG H4' . 34805 1
296 . 1 . 1 35 35 DG H5' H 1 4.104 0.01 . 2 . . . . A 35 DG H5' . 34805 1
297 . 1 . 1 35 35 DG H8 H 1 7.949 0.01 . 1 . . . . A 35 DG H8 . 34805 1
298 . 1 . 1 35 35 DG P P 31 -4.095 0.05 . 1 . . . . A 35 DG P . 34805 1
stop_
save_