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 52355
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name list_1
_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' . . . 52355 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52355 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 5.762 0.01 . 1 . . . . . 1 DC H1' . 52355 1
2 . 1 . 1 1 1 DC H2' H 1 1.987 0.01 . 1 . . . . . 1 DC H2' . 52355 1
3 . 1 . 1 1 1 DC H2'' H 1 2.438 0.01 . 1 . . . . . 1 DC H2'' . 52355 1
4 . 1 . 1 1 1 DC H3' H 1 4.726 0.01 . 1 . . . . . 1 DC H3' . 52355 1
5 . 1 . 1 1 1 DC H4' H 1 4.088 0.01 . 1 . . . . . 1 DC H4' . 52355 1
6 . 1 . 1 1 1 DC H5 H 1 5.925 0.01 . 1 . . . . . 1 DC H5 . 52355 1
7 . 1 . 1 1 1 DC H6 H 1 7.654 0.01 . 1 . . . . . 1 DC H6 . 52355 1
8 . 1 . 1 2 2 DG H1 H 1 13.099 0.01 . 1 . . . . . 2 DG H1 . 52355 1
9 . 1 . 1 2 2 DG H1' H 1 5.920 0.01 . 1 . . . . . 2 DG H1' . 52355 1
10 . 1 . 1 2 2 DG H2' H 1 2.728 0.01 . 1 . . . . . 2 DG H2' . 52355 1
11 . 1 . 1 2 2 DG H2'' H 1 2.745 0.01 . 1 . . . . . 2 DG H2'' . 52355 1
12 . 1 . 1 2 2 DG H3' H 1 5.007 0.01 . 1 . . . . . 2 DG H3' . 52355 1
13 . 1 . 1 2 2 DG H4' H 1 4.390 0.01 . 1 . . . . . 2 DG H4' . 52355 1
14 . 1 . 1 2 2 DG H8 H 1 8.010 0.01 . 1 . . . . . 2 DG H8 . 52355 1
15 . 1 . 1 2 2 DG P P 31 -4.064 0.05 . 1 . . . . . 2 DG P . 52355 1
16 . 1 . 1 3 3 DC H1' H 1 6.033 0.01 . 1 . . . . . 3 DC H1' . 52355 1
17 . 1 . 1 3 3 DC H2' H 1 2.136 0.01 . 1 . . . . . 3 DC H2' . 52355 1
18 . 1 . 1 3 3 DC H2'' H 1 2.468 0.01 . 1 . . . . . 3 DC H2'' . 52355 1
19 . 1 . 1 3 3 DC H3' H 1 4.877 0.01 . 1 . . . . . 3 DC H3' . 52355 1
20 . 1 . 1 3 3 DC H4' H 1 4.282 0.01 . 1 . . . . . 3 DC H4' . 52355 1
21 . 1 . 1 3 3 DC H5 H 1 5.456 0.01 . 1 . . . . . 3 DC H5 . 52355 1
22 . 1 . 1 3 3 DC H6 H 1 7.468 0.01 . 1 . . . . . 3 DC H6 . 52355 1
23 . 1 . 1 3 3 DC H41 H 1 8.202 0.01 . 1 . . . . . 3 DC H41 . 52355 1
24 . 1 . 1 3 3 DC H42 H 1 6.423 0.01 . 1 . . . . . 3 DC H42 . 52355 1
25 . 1 . 1 3 3 DC P P 31 -4.176 0.05 . 1 . . . . . 3 DC P . 52355 1
26 . 1 . 1 4 4 DC H1' H 1 5.584 0.01 . 1 . . . . . 4 DC H1' . 52355 1
27 . 1 . 1 4 4 DC H2' H 1 1.806 0.01 . 1 . . . . . 4 DC H2' . 52355 1
28 . 1 . 1 4 4 DC H2'' H 1 2.193 0.01 . 1 . . . . . 4 DC H2'' . 52355 1
29 . 1 . 1 4 4 DC H3' H 1 4.813 0.01 . 1 . . . . . 4 DC H3' . 52355 1
30 . 1 . 1 4 4 DC H4' H 1 4.090 0.01 . 1 . . . . . 4 DC H4' . 52355 1
31 . 1 . 1 4 4 DC H5 H 1 5.619 0.01 . 1 . . . . . 4 DC H5 . 52355 1
32 . 1 . 1 4 4 DC H6 H 1 7.355 0.01 . 1 . . . . . 4 DC H6 . 52355 1
33 . 1 . 1 4 4 DC H41 H 1 8.520 0.01 . 1 . . . . . 4 DC H41 . 52355 1
34 . 1 . 1 4 4 DC H42 H 1 6.901 0.01 . 1 . . . . . 4 DC H42 . 52355 1
35 . 1 . 1 4 4 DC P P 31 -4.079 0.05 . 1 . . . . . 4 DC P . 52355 1
36 . 1 . 1 5 5 DG H1 H 1 12.896 0.01 . 1 . . . . . 5 DG H1 . 52355 1
37 . 1 . 1 5 5 DG H1' H 1 5.937 0.01 . 1 . . . . . 5 DG H1' . 52355 1
38 . 1 . 1 5 5 DG H2' H 1 2.181 0.01 . 1 . . . . . 5 DG H2' . 52355 1
39 . 1 . 1 5 5 DG H2'' H 1 2.431 0.01 . 1 . . . . . 5 DG H2'' . 52355 1
40 . 1 . 1 5 5 DG H3' H 1 4.965 0.01 . 1 . . . . . 5 DG H3' . 52355 1
41 . 1 . 1 5 5 DG H8 H 1 7.474 0.01 . 1 . . . . . 5 DG H8 . 52355 1
42 . 1 . 1 5 5 DG P P 31 -4.039 0.05 . 1 . . . . . 5 DG P . 52355 1
43 . 1 . 1 6 6 DG H1' H 1 5.764 0.01 . 1 . . . . . 6 DG H1' . 52355 1
44 . 1 . 1 6 6 DG H2' H 1 3.084 0.01 . 2 . . . . . 6 DG H2' . 52355 1
45 . 1 . 1 6 6 DG H2'' H 1 3.152 0.01 . 2 . . . . . 6 DG H2'' . 52355 1
46 . 1 . 1 6 6 DG H3' H 1 5.218 0.01 . 1 . . . . . 6 DG H3' . 52355 1
47 . 1 . 1 6 6 DG H8 H 1 8.273 0.01 . 1 . . . . . 6 DG H8 . 52355 1
48 . 1 . 1 7 7 DG H1 H 1 11.214 0.01 . 1 . . . . . 7 DG H1 . 52355 1
49 . 1 . 1 7 7 DG H1' H 1 6.339 0.01 . 1 . . . . . 7 DG H1' . 52355 1
50 . 1 . 1 7 7 DG H2' H 1 3.223 0.01 . 2 . . . . . 7 DG H2' . 52355 1
51 . 1 . 1 7 7 DG H2'' H 1 2.966 0.01 . 2 . . . . . 7 DG H2'' . 52355 1
52 . 1 . 1 7 7 DG H3' H 1 4.885 0.01 . 1 . . . . . 7 DG H3' . 52355 1
53 . 1 . 1 7 7 DG H4' H 1 4.494 0.01 . 1 . . . . . 7 DG H4' . 52355 1
54 . 1 . 1 7 7 DG H5' H 1 4.529 0.01 . 2 . . . . . 7 DG H5' . 52355 1
55 . 1 . 1 7 7 DG H5'' H 1 4.342 0.01 . 2 . . . . . 7 DG H5'' . 52355 1
56 . 1 . 1 7 7 DG H8 H 1 8.212 0.01 . 1 . . . . . 7 DG H8 . 52355 1
57 . 1 . 1 7 7 DG P P 31 -3.809 0.05 . 1 . . . . . 7 DG P . 52355 1
58 . 1 . 1 8 8 DG H1 H 1 12.605 0.01 . 1 . . . . . 8 DG H1 . 52355 1
59 . 1 . 1 8 8 DG H1' H 1 6.041 0.01 . 1 . . . . . 8 DG H1' . 52355 1
60 . 1 . 1 8 8 DG H2' H 1 2.532 0.01 . 2 . . . . . 8 DG H2' . 52355 1
61 . 1 . 1 8 8 DG H2'' H 1 2.807 0.01 . 2 . . . . . 8 DG H2'' . 52355 1
62 . 1 . 1 8 8 DG H3' H 1 4.876 0.01 . 1 . . . . . 8 DG H3' . 52355 1
63 . 1 . 1 8 8 DG H8 H 1 7.616 0.01 . 1 . . . . . 8 DG H8 . 52355 1
64 . 1 . 1 8 8 DG P P 31 -3.872 0.05 . 1 . . . . . 8 DG P . 52355 1
65 . 1 . 1 9 9 DT H1' H 1 6.100 0.01 . 1 . . . . . 9 DT H1' . 52355 1
66 . 1 . 1 9 9 DT H2' H 1 1.888 0.01 . 2 . . . . . 9 DT H2' . 52355 1
67 . 1 . 1 9 9 DT H2'' H 1 2.435 0.01 . 2 . . . . . 9 DT H2'' . 52355 1
68 . 1 . 1 9 9 DT H3 H 1 13.862 0.01 . 1 . . . . . 9 DT H3 . 52355 1
69 . 1 . 1 9 9 DT H3' H 1 4.794 0.01 . 1 . . . . . 9 DT H3' . 52355 1
70 . 1 . 1 9 9 DT H6 H 1 7.462 0.01 . 1 . . . . . 9 DT H6 . 52355 1
71 . 1 . 1 9 9 DT H71 H 1 1.297 0.01 . 3 . . . . . 9 DT H71 . 52355 1
72 . 1 . 1 9 9 DT H72 H 1 1.297 0.01 . 3 . . . . . 9 DT H72 . 52355 1
73 . 1 . 1 9 9 DT H73 H 1 1.297 0.01 . 3 . . . . . 9 DT H73 . 52355 1
74 . 1 . 1 9 9 DT P P 31 -4.493 0.05 . 1 . . . . . 9 DT P . 52355 1
75 . 1 . 1 10 10 DC H1' H 1 6.018 0.01 . 1 . . . . . 10 DC H1' . 52355 1
76 . 1 . 1 10 10 DC H2' H 1 1.737 0.01 . 1 . . . . . 10 DC H2' . 52355 1
77 . 1 . 1 10 10 DC H2'' H 1 2.242 0.01 . 1 . . . . . 10 DC H2'' . 52355 1
78 . 1 . 1 10 10 DC H3' H 1 4.840 0.01 . 1 . . . . . 10 DC H3' . 52355 1
79 . 1 . 1 10 10 DC H5 H 1 5.445 0.01 . 1 . . . . . 10 DC H5 . 52355 1
80 . 1 . 1 10 10 DC H6 H 1 7.218 0.01 . 1 . . . . . 10 DC H6 . 52355 1
81 . 1 . 1 10 10 DC H41 H 1 8.497 0.01 . 1 . . . . . 10 DC H41 . 52355 1
82 . 1 . 1 10 10 DC H42 H 1 7.119 0.01 . 1 . . . . . 10 DC H42 . 52355 1
83 . 1 . 1 10 10 DC P P 31 -4.463 0.05 . 1 . . . . . 10 DC P . 52355 1
84 . 1 . 1 11 11 DG H1' H 1 5.337 0.01 . 1 . . . . . 11 DG H1' . 52355 1
85 . 1 . 1 11 11 DG H2' H 1 2.703 0.01 . 1 . . . . . 11 DG H2' . 52355 1
86 . 1 . 1 11 11 DG H2'' H 1 2.558 0.01 . 1 . . . . . 11 DG H2'' . 52355 1
87 . 1 . 1 11 11 DG H3' H 1 4.917 0.01 . 1 . . . . . 11 DG H3' . 52355 1
88 . 1 . 1 11 11 DG H8 H 1 8.122 0.01 . 1 . . . . . 11 DG H8 . 52355 1
89 . 1 . 1 12 12 DA H1' H 1 5.975 0.01 . 1 . . . . . 12 DA H1' . 52355 1
90 . 1 . 1 12 12 DA H2' H 1 2.263 0.01 . 1 . . . . . 12 DA H2' . 52355 1
91 . 1 . 1 12 12 DA H2'' H 1 2.317 0.01 . 1 . . . . . 12 DA H2'' . 52355 1
92 . 1 . 1 12 12 DA H3' H 1 4.574 0.01 . 1 . . . . . 12 DA H3' . 52355 1
93 . 1 . 1 12 12 DA H5' H 1 3.375 0.01 . 2 . . . . . 12 DA H5' . 52355 1
94 . 1 . 1 12 12 DA H5'' H 1 3.069 0.01 . 2 . . . . . 12 DA H5'' . 52355 1
95 . 1 . 1 12 12 DA H8 H 1 8.127 0.01 . 1 . . . . . 12 DA H8 . 52355 1
96 . 1 . 1 13 13 DA H1' H 1 6.233 0.01 . 1 . . . . . 13 DA H1' . 52355 1
97 . 1 . 1 13 13 DA H2 H 1 8.060 0.01 . 1 . . . . . 13 DA H2 . 52355 1
98 . 1 . 1 13 13 DA H2' H 1 2.834 0.01 . 2 . . . . . 13 DA H2' . 52355 1
99 . 1 . 1 13 13 DA H2'' H 1 2.834 0.01 . 2 . . . . . 13 DA H2'' . 52355 1
100 . 1 . 1 13 13 DA H3' H 1 4.839 0.01 . 1 . . . . . 13 DA H3' . 52355 1
101 . 1 . 1 13 13 DA H8 H 1 7.976 0.01 . 1 . . . . . 13 DA H8 . 52355 1
102 . 1 . 1 13 13 DA P P 31 -4.641 0.05 . 1 . . . . . 13 DA P . 52355 1
103 . 1 . 1 14 14 DG H1 H 1 12.963 0.01 . 1 . . . . . 14 DG H1 . 52355 1
104 . 1 . 1 14 14 DG H1' H 1 5.007 0.01 . 1 . . . . . 14 DG H1' . 52355 1
105 . 1 . 1 14 14 DG H2' H 1 2.635 0.01 . 1 . . . . . 14 DG H2' . 52355 1
106 . 1 . 1 14 14 DG H2'' H 1 2.537 0.01 . 1 . . . . . 14 DG H2'' . 52355 1
107 . 1 . 1 14 14 DG H3' H 1 4.901 0.01 . 1 . . . . . 14 DG H3' . 52355 1
108 . 1 . 1 14 14 DG H8 H 1 8.054 0.01 . 1 . . . . . 14 DG H8 . 52355 1
109 . 1 . 1 15 15 DA H1' H 1 6.263 0.01 . 1 . . . . . 15 DA H1' . 52355 1
110 . 1 . 1 15 15 DA H2 H 1 8.055 0.01 . 1 . . . . . 15 DA H2 . 52355 1
111 . 1 . 1 15 15 DA H2' H 1 2.581 0.01 . 1 . . . . . 15 DA H2' . 52355 1
112 . 1 . 1 15 15 DA H2'' H 1 2.797 0.01 . 1 . . . . . 15 DA H2'' . 52355 1
113 . 1 . 1 15 15 DA H3' H 1 5.029 0.01 . 1 . . . . . 15 DA H3' . 52355 1
114 . 1 . 1 15 15 DA H8 H 1 8.177 0.01 . 1 . . . . . 15 DA H8 . 52355 1
115 . 1 . 1 15 15 DA P P 31 -3.480 0.05 . 1 . . . . . 15 DA P . 52355 1
116 . 1 . 1 16 16 DC H1' H 1 5.885 0.01 . 1 . . . . . 16 DC H1' . 52355 1
117 . 1 . 1 16 16 DC H2' H 1 1.940 0.01 . 1 . . . . . 16 DC H2' . 52355 1
118 . 1 . 1 16 16 DC H2'' H 1 2.310 0.01 . 1 . . . . . 16 DC H2'' . 52355 1
119 . 1 . 1 16 16 DC H3' H 1 4.801 0.01 . 1 . . . . . 16 DC H3' . 52355 1
120 . 1 . 1 16 16 DC H5 H 1 5.037 0.01 . 1 . . . . . 16 DC H5 . 52355 1
121 . 1 . 1 16 16 DC H6 H 1 7.213 0.01 . 1 . . . . . 16 DC H6 . 52355 1
122 . 1 . 1 16 16 DC H41 H 1 8.135 0.01 . 1 . . . . . 16 DC H41 . 52355 1
123 . 1 . 1 16 16 DC H42 H 1 6.614 0.01 . 1 . . . . . 16 DC H42 . 52355 1
124 . 1 . 1 16 16 DC P P 31 -4.296 0.05 . 1 . . . . . 16 DC P . 52355 1
125 . 1 . 1 17 17 DT H1' H 1 5.454 0.01 . 1 . . . . . 17 DT H1' . 52355 1
126 . 1 . 1 17 17 DT H2' H 1 0.536 0.01 . 1 . . . . . 17 DT H2' . 52355 1
127 . 1 . 1 17 17 DT H2'' H 1 1.720 0.01 . 1 . . . . . 17 DT H2'' . 52355 1
128 . 1 . 1 17 17 DT H3 H 1 11.134 0.01 . 1 . . . . . 17 DT H3 . 52355 1
129 . 1 . 1 17 17 DT H3' H 1 4.390 0.01 . 1 . . . . . 17 DT H3' . 52355 1
130 . 1 . 1 17 17 DT H4' H 1 4.165 0.01 . 1 . . . . . 17 DT H4' . 52355 1
131 . 1 . 1 17 17 DT H5' H 1 4.116 0.01 . 2 . . . . . 17 DT H5' . 52355 1
132 . 1 . 1 17 17 DT H5'' H 1 3.697 0.01 . 2 . . . . . 17 DT H5'' . 52355 1
133 . 1 . 1 17 17 DT H6 H 1 6.953 0.01 . 1 . . . . . 17 DT H6 . 52355 1
134 . 1 . 1 17 17 DT H71 H 1 1.319 0.01 . 3 . . . . . 17 DT H71 . 52355 1
135 . 1 . 1 17 17 DT H72 H 1 1.319 0.01 . 3 . . . . . 17 DT H72 . 52355 1
136 . 1 . 1 17 17 DT H73 H 1 1.319 0.01 . 3 . . . . . 17 DT H73 . 52355 1
137 . 1 . 1 17 17 DT P P 31 -4.889 0.05 . 1 . . . . . 17 DT P . 52355 1
138 . 1 . 1 18 18 DG H1 H 1 12.812 0.01 . 1 . . . . . 18 DG H1 . 52355 1
139 . 1 . 1 18 18 DG H1' H 1 5.418 0.01 . 1 . . . . . 18 DG H1' . 52355 1
140 . 1 . 1 18 18 DG H2' H 1 2.812 0.01 . 1 . . . . . 18 DG H2' . 52355 1
141 . 1 . 1 18 18 DG H2'' H 1 2.516 0.01 . 1 . . . . . 18 DG H2'' . 52355 1
142 . 1 . 1 18 18 DG H3' H 1 4.957 0.01 . 1 . . . . . 18 DG H3' . 52355 1
143 . 1 . 1 18 18 DG H8 H 1 7.958 0.01 . 1 . . . . . 18 DG H8 . 52355 1
144 . 1 . 1 18 18 DG P P 31 -4.394 0.05 . 1 . . . . . 18 DG P . 52355 1
145 . 1 . 1 19 19 DC H1' H 1 6.088 0.01 . 1 . . . . . 19 DC H1' . 52355 1
146 . 1 . 1 19 19 DC H2' H 1 1.955 0.01 . 1 . . . . . 19 DC H2' . 52355 1
147 . 1 . 1 19 19 DC H2'' H 1 2.305 0.01 . 1 . . . . . 19 DC H2'' . 52355 1
148 . 1 . 1 19 19 DC H3' H 1 4.870 0.01 . 1 . . . . . 19 DC H3' . 52355 1
149 . 1 . 1 19 19 DC H4' H 1 4.383 0.01 . 1 . . . . . 19 DC H4' . 52355 1
150 . 1 . 1 19 19 DC H5 H 1 5.792 0.01 . 1 . . . . . 19 DC H5 . 52355 1
151 . 1 . 1 19 19 DC H6 H 1 7.543 0.01 . 1 . . . . . 19 DC H6 . 52355 1
152 . 1 . 1 19 19 DC H41 H 1 7.808 0.01 . 1 . . . . . 19 DC H41 . 52355 1
153 . 1 . 1 19 19 DC H42 H 1 6.608 0.01 . 1 . . . . . 19 DC H42 . 52355 1
154 . 1 . 1 19 19 DC P P 31 -2.956 0.05 . 1 . . . . . 19 DC P . 52355 1
155 . 1 . 1 20 20 DC H1' H 1 6.411 0.01 . 1 . . . . . 20 DC H1' . 52355 1
156 . 1 . 1 20 20 DC H2' H 1 2.776 0.01 . 2 . . . . . 20 DC H2' . 52355 1
157 . 1 . 1 20 20 DC H2'' H 1 2.758 0.01 . 2 . . . . . 20 DC H2'' . 52355 1
158 . 1 . 1 20 20 DC H3' H 1 5.127 0.01 . 1 . . . . . 20 DC H3' . 52355 1
159 . 1 . 1 20 20 DC H5 H 1 5.839 0.01 . 1 . . . . . 20 DC H5 . 52355 1
160 . 1 . 1 20 20 DC H5'' H 1 4.075 0.01 . 2 . . . . . 20 DC H5'' . 52355 1
161 . 1 . 1 20 20 DC H6 H 1 7.832 0.01 . 1 . . . . . 20 DC H6 . 52355 1
162 . 1 . 1 20 20 DC H41 H 1 8.924 0.01 . 1 . . . . . 20 DC H41 . 52355 1
163 . 1 . 1 20 20 DC H42 H 1 6.952 0.01 . 1 . . . . . 20 DC H42 . 52355 1
164 . 1 . 1 21 21 DA H1' H 1 6.299 0.01 . 1 . . . . . 21 DA H1' . 52355 1
165 . 1 . 1 21 21 DA H2 H 1 8.150 0.01 . 1 . . . . . 21 DA H2 . 52355 1
166 . 1 . 1 21 21 DA H2' H 1 2.126 0.01 . 1 . . . . . 21 DA H2' . 52355 1
167 . 1 . 1 21 21 DA H2'' H 1 2.802 0.01 . 1 . . . . . 21 DA H2'' . 52355 1
168 . 1 . 1 21 21 DA H3' H 1 5.194 0.01 . 1 . . . . . 21 DA H3' . 52355 1
169 . 1 . 1 21 21 DA H4' H 1 4.352 0.01 . 1 . . . . . 21 DA H4' . 52355 1
170 . 1 . 1 21 21 DA H5' H 1 4.437 0.01 . 2 . . . . . 21 DA H5' . 52355 1
171 . 1 . 1 21 21 DA H5'' H 1 4.204 0.01 . 2 . . . . . 21 DA H5'' . 52355 1
172 . 1 . 1 21 21 DA H8 H 1 7.893 0.01 . 1 . . . . . 21 DA H8 . 52355 1
173 . 1 . 1 22 22 DG H1 H 1 13.138 0.01 . 1 . . . . . 22 DG H1 . 52355 1
174 . 1 . 1 22 22 DG H1' H 1 5.931 0.01 . 1 . . . . . 22 DG H1' . 52355 1
175 . 1 . 1 22 22 DG H2' H 1 2.490 0.01 . 2 . . . . . 22 DG H2' . 52355 1
176 . 1 . 1 22 22 DG H2'' H 1 2.516 0.01 . 2 . . . . . 22 DG H2'' . 52355 1
177 . 1 . 1 22 22 DG H3' H 1 4.690 0.01 . 1 . . . . . 22 DG H3' . 52355 1
178 . 1 . 1 22 22 DG H8 H 1 7.967 0.01 . 1 . . . . . 22 DG H8 . 52355 1
179 . 1 . 1 23 23 DC H1' H 1 5.455 0.01 . 1 . . . . . 23 DC H1' . 52355 1
180 . 1 . 1 23 23 DC H2' H 1 1.782 0.01 . 1 . . . . . 23 DC H2' . 52355 1
181 . 1 . 1 23 23 DC H2'' H 1 2.299 0.01 . 1 . . . . . 23 DC H2'' . 52355 1
182 . 1 . 1 23 23 DC H3' H 1 4.460 0.01 . 1 . . . . . 23 DC H3' . 52355 1
183 . 1 . 1 23 23 DC H5 H 1 6.154 0.01 . 1 . . . . . 23 DC H5 . 52355 1
184 . 1 . 1 23 23 DC H6 H 1 7.584 0.01 . 1 . . . . . 23 DC H6 . 52355 1
185 . 1 . 1 23 23 DC H41 H 1 8.438 0.01 . 1 . . . . . 23 DC H41 . 52355 1
186 . 1 . 1 23 23 DC P P 31 -3.525 0.05 . 1 . . . . . 23 DC P . 52355 1
187 . 1 . 1 24 24 DG H1 H 1 13.137 0.01 . 1 . . . . . 24 DG H1 . 52355 1
188 . 1 . 1 24 24 DG H1' H 1 5.651 0.01 . 1 . . . . . 24 DG H1' . 52355 1
189 . 1 . 1 24 24 DG H2' H 1 2.593 0.01 . 1 . . . . . 24 DG H2' . 52355 1
190 . 1 . 1 24 24 DG H2'' H 1 2.804 0.01 . 1 . . . . . 24 DG H2'' . 52355 1
191 . 1 . 1 24 24 DG H3' H 1 4.731 0.01 . 1 . . . . . 24 DG H3' . 52355 1
192 . 1 . 1 24 24 DG H8 H 1 7.676 0.01 . 1 . . . . . 24 DG H8 . 52355 1
193 . 1 . 1 24 24 DG P P 31 -3.830 0.05 . 1 . . . . . 24 DG P . 52355 1
194 . 1 . 1 25 25 DG H1 H 1 12.587 0.01 . 1 . . . . . 25 DG H1 . 52355 1
195 . 1 . 1 25 25 DG H1' H 1 5.307 0.01 . 1 . . . . . 25 DG H1' . 52355 1
196 . 1 . 1 25 25 DG H2' H 1 2.447 0.01 . 1 . . . . . 25 DG H2' . 52355 1
197 . 1 . 1 25 25 DG H2'' H 1 2.348 0.01 . 1 . . . . . 25 DG H2'' . 52355 1
198 . 1 . 1 25 25 DG H3' H 1 4.798 0.01 . 1 . . . . . 25 DG H3' . 52355 1
199 . 1 . 1 25 25 DG H8 H 1 7.738 0.01 . 1 . . . . . 25 DG H8 . 52355 1
200 . 1 . 1 26 26 DC H1' H 1 6.050 0.01 . 1 . . . . . 26 DC H1' . 52355 1
201 . 1 . 1 26 26 DC H2' H 1 2.276 0.01 . 2 . . . . . 26 DC H2' . 52355 1
202 . 1 . 1 26 26 DC H2'' H 1 2.403 0.01 . 2 . . . . . 26 DC H2'' . 52355 1
203 . 1 . 1 26 26 DC H3' H 1 4.737 0.01 . 1 . . . . . 26 DC H3' . 52355 1
204 . 1 . 1 26 26 DC H5 H 1 5.602 0.01 . 1 . . . . . 26 DC H5 . 52355 1
205 . 1 . 1 26 26 DC H6 H 1 7.376 0.01 . 1 . . . . . 26 DC H6 . 52355 1
206 . 1 . 1 26 26 DC H41 H 1 8.125 0.01 . 1 . . . . . 26 DC H41 . 52355 1
207 . 1 . 1 26 26 DC H42 H 1 6.707 0.01 . 1 . . . . . 26 DC H42 . 52355 1
208 . 1 . 1 27 27 DT H1' H 1 6.022 0.01 . 1 . . . . . 27 DT H1' . 52355 1
209 . 1 . 1 27 27 DT H2' H 1 1.852 0.01 . 1 . . . . . 27 DT H2' . 52355 1
210 . 1 . 1 27 27 DT H2'' H 1 2.318 0.01 . 1 . . . . . 27 DT H2'' . 52355 1
211 . 1 . 1 27 27 DT H3' H 1 4.624 0.01 . 1 . . . . . 27 DT H3' . 52355 1
212 . 1 . 1 27 27 DT H6 H 1 7.264 0.01 . 1 . . . . . 27 DT H6 . 52355 1
213 . 1 . 1 27 27 DT H71 H 1 1.643 0.01 . 3 . . . . . 27 DT H71 . 52355 1
214 . 1 . 1 27 27 DT H72 H 1 1.643 0.01 . 3 . . . . . 27 DT H72 . 52355 1
215 . 1 . 1 27 27 DT H73 H 1 1.643 0.01 . 3 . . . . . 27 DT H73 . 52355 1
216 . 1 . 1 27 27 DT P P 31 -4.593 0.05 . 1 . . . . . 27 DT P . 52355 1
217 . 1 . 1 28 28 DC H1' H 1 5.972 0.01 . 1 . . . . . 28 DC H1' . 52355 1
218 . 1 . 1 28 28 DC H2' H 1 2.110 0.01 . 2 . . . . . 28 DC H2' . 52355 1
219 . 1 . 1 28 28 DC H3' H 1 4.865 0.01 . 1 . . . . . 28 DC H3' . 52355 1
220 . 1 . 1 28 28 DC H5 H 1 5.526 0.01 . 1 . . . . . 28 DC H5 . 52355 1
221 . 1 . 1 28 28 DC H6 H 1 7.311 0.01 . 1 . . . . . 28 DC H6 . 52355 1
222 . 1 . 1 28 28 DC H41 H 1 8.741 0.01 . 1 . . . . . 28 DC H41 . 52355 1
223 . 1 . 1 28 28 DC H42 H 1 7.317 0.01 . 1 . . . . . 28 DC H42 . 52355 1
224 . 1 . 1 28 28 DC P P 31 -4.635 0.05 . 1 . . . . . 28 DC P . 52355 1
225 . 1 . 1 29 29 DG H3' H 1 4.989 0.01 . 1 . . . . . 29 DG H3' . 52355 1
226 . 1 . 1 29 29 DG H8 H 1 8.112 0.01 . 1 . . . . . 29 DG H8 . 52355 1
227 . 1 . 1 30 30 DA H1' H 1 5.134 0.01 . 1 . . . . . 30 DA H1' . 52355 1
228 . 1 . 1 30 30 DA H2 H 1 8.379 0.01 . 1 . . . . . 30 DA H2 . 52355 1
229 . 1 . 1 30 30 DA H2' H 1 1.446 0.01 . 2 . . . . . 30 DA H2' . 52355 1
230 . 1 . 1 30 30 DA H2'' H 1 2.324 0.01 . 2 . . . . . 30 DA H2'' . 52355 1
231 . 1 . 1 30 30 DA H3' H 1 4.655 0.01 . 1 . . . . . 30 DA H3' . 52355 1
232 . 1 . 1 30 30 DA H4' H 1 3.282 0.01 . 1 . . . . . 30 DA H4' . 52355 1
233 . 1 . 1 30 30 DA H5' H 1 3.931 0.01 . 2 . . . . . 30 DA H5' . 52355 1
234 . 1 . 1 30 30 DA H5'' H 1 3.654 0.01 . 2 . . . . . 30 DA H5'' . 52355 1
235 . 1 . 1 30 30 DA H8 H 1 8.073 0.01 . 1 . . . . . 30 DA H8 . 52355 1
236 . 1 . 1 30 30 DA P P 31 -2.594 0.05 . 1 . . . . . 30 DA P . 52355 1
237 . 1 . 1 31 31 DC H1' H 1 4.916 0.01 . 1 . . . . . 31 DC H1' . 52355 1
238 . 1 . 1 31 31 DC H2' H 1 2.164 0.01 . 1 . . . . . 31 DC H2' . 52355 1
239 . 1 . 1 31 31 DC H2'' H 1 2.289 0.01 . 1 . . . . . 31 DC H2'' . 52355 1
240 . 1 . 1 31 31 DC H3' H 1 4.787 0.01 . 1 . . . . . 31 DC H3' . 52355 1
241 . 1 . 1 31 31 DC H4' H 1 3.975 0.01 . 1 . . . . . 31 DC H4' . 52355 1
242 . 1 . 1 31 31 DC H5 H 1 5.702 0.01 . 1 . . . . . 31 DC H5 . 52355 1
243 . 1 . 1 31 31 DC H6 H 1 7.408 0.01 . 1 . . . . . 31 DC H6 . 52355 1
244 . 1 . 1 31 31 DC H41 H 1 8.479 0.01 . 1 . . . . . 31 DC H41 . 52355 1
245 . 1 . 1 31 31 DC H42 H 1 7.007 0.01 . 1 . . . . . 31 DC H42 . 52355 1
246 . 1 . 1 31 31 DC P P 31 -4.733 0.05 . 1 . . . . . 31 DC P . 52355 1
247 . 1 . 1 32 32 DG H1 H 1 13.188 0.01 . 1 . . . . . 32 DG H1 . 52355 1
248 . 1 . 1 32 32 DG H1' H 1 5.672 0.01 . 1 . . . . . 32 DG H1' . 52355 1
249 . 1 . 1 32 32 DG H2' H 1 2.713 0.01 . 1 . . . . . 32 DG H2' . 52355 1
250 . 1 . 1 32 32 DG H2'' H 1 2.804 0.01 . 1 . . . . . 32 DG H2'' . 52355 1
251 . 1 . 1 32 32 DG H3' H 1 5.032 0.01 . 1 . . . . . 32 DG H3' . 52355 1
252 . 1 . 1 32 32 DG H8 H 1 7.829 0.01 . 1 . . . . . 32 DG H8 . 52355 1
253 . 1 . 1 32 32 DG P P 31 -3.440 0.05 . 1 . . . . . 32 DG P . 52355 1
254 . 1 . 1 33 33 DG H1 H 1 13.016 0.01 . 1 . . . . . 33 DG H1 . 52355 1
255 . 1 . 1 33 33 DG H1' H 1 5.886 0.01 . 1 . . . . . 33 DG H1' . 52355 1
256 . 1 . 1 33 33 DG H2' H 1 2.591 0.01 . 1 . . . . . 33 DG H2' . 52355 1
257 . 1 . 1 33 33 DG H2'' H 1 2.720 0.01 . 1 . . . . . 33 DG H2'' . 52355 1
258 . 1 . 1 33 33 DG H3' H 1 5.017 0.01 . 1 . . . . . 33 DG H3' . 52355 1
259 . 1 . 1 33 33 DG H4' H 1 4.427 0.01 . 1 . . . . . 33 DG H4' . 52355 1
260 . 1 . 1 33 33 DG H8 H 1 7.803 0.01 . 1 . . . . . 33 DG H8 . 52355 1
261 . 1 . 1 33 33 DG P P 31 -4.175 0.05 . 1 . . . . . 33 DG P . 52355 1
262 . 1 . 1 34 34 DC H1' H 1 5.743 0.01 . 1 . . . . . 34 DC H1' . 52355 1
263 . 1 . 1 34 34 DC H2' H 1 1.916 0.01 . 1 . . . . . 34 DC H2' . 52355 1
264 . 1 . 1 34 34 DC H2'' H 1 2.349 0.01 . 1 . . . . . 34 DC H2'' . 52355 1
265 . 1 . 1 34 34 DC H3' H 1 4.831 0.01 . 1 . . . . . 34 DC H3' . 52355 1
266 . 1 . 1 34 34 DC H5 H 1 5.443 0.01 . 1 . . . . . 34 DC H5 . 52355 1
267 . 1 . 1 34 34 DC H6 H 1 7.321 0.01 . 1 . . . . . 34 DC H6 . 52355 1
268 . 1 . 1 34 34 DC H41 H 1 8.455 0.01 . 1 . . . . . 34 DC H41 . 52355 1
269 . 1 . 1 34 34 DC H42 H 1 6.628 0.01 . 1 . . . . . 34 DC H42 . 52355 1
270 . 1 . 1 34 34 DC P P 31 -4.072 0.05 . 1 . . . . . 34 DC P . 52355 1
271 . 1 . 1 35 35 DG H1' H 1 6.173 0.01 . 1 . . . . . 35 DG H1' . 52355 1
272 . 1 . 1 35 35 DG H2' H 1 2.628 0.01 . 1 . . . . . 35 DG H2' . 52355 1
273 . 1 . 1 35 35 DG H2'' H 1 2.389 0.01 . 1 . . . . . 35 DG H2'' . 52355 1
274 . 1 . 1 35 35 DG H3' H 1 4.698 0.01 . 1 . . . . . 35 DG H3' . 52355 1
275 . 1 . 1 35 35 DG H8 H 1 7.947 0.01 . 1 . . . . . 35 DG H8 . 52355 1
276 . 1 . 1 35 35 DG P P 31 -3.919 0.05 . 1 . . . . . 35 DG P . 52355 1
stop_
save_