Content for NMR-STAR saveframe, "assigned_chemical_shifts_8"
save_assigned_chemical_shifts_8
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_8
_Assigned_chem_shift_list.Entry_ID 52355
_Assigned_chem_shift_list.ID 8
_Assigned_chem_shift_list.Name list_8
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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
8 '2D 1H-1H NOESY' . . . 52355 8
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 8
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 5.793 0.01 . 1 . . . . . 1 DC H1' . 52355 8
2 . 1 . 1 1 1 DC H2' H 1 2.026 0.01 . 1 . . . . . 1 DC H2' . 52355 8
3 . 1 . 1 1 1 DC H2'' H 1 2.468 0.01 . 1 . . . . . 1 DC H2'' . 52355 8
4 . 1 . 1 1 1 DC H3' H 1 4.745 0.01 . 1 . . . . . 1 DC H3' . 52355 8
5 . 1 . 1 1 1 DC H5 H 1 5.965 0.01 . 1 . . . . . 1 DC H5 . 52355 8
6 . 1 . 1 1 1 DC H6 H 1 7.684 0.01 . 1 . . . . . 1 DC H6 . 52355 8
7 . 1 . 1 2 2 DG H1 H 1 13.127 0.01 . 1 . . . . . 2 DG H1 . 52355 8
8 . 1 . 1 2 2 DG H1' H 1 5.930 0.01 . 1 . . . . . 2 DG H1' . 52355 8
9 . 1 . 1 2 2 DG H2' H 1 2.740 0.01 . 1 . . . . . 2 DG H2' . 52355 8
10 . 1 . 1 2 2 DG H2'' H 1 2.761 0.01 . 1 . . . . . 2 DG H2'' . 52355 8
11 . 1 . 1 2 2 DG H3' H 1 5.018 0.01 . 1 . . . . . 2 DG H3' . 52355 8
12 . 1 . 1 2 2 DG H8 H 1 8.031 0.01 . 1 . . . . . 2 DG H8 . 52355 8
13 . 1 . 1 2 2 DG P P 31 -4.053 0.05 . 1 . . . . . 2 DG P . 52355 8
14 . 1 . 1 3 3 DC H1' H 1 6.063 0.01 . 1 . . . . . 3 DC H1' . 52355 8
15 . 1 . 1 3 3 DC H2' H 1 2.157 0.01 . 1 . . . . . 3 DC H2' . 52355 8
16 . 1 . 1 3 3 DC H2'' H 1 2.503 0.01 . 1 . . . . . 3 DC H2'' . 52355 8
17 . 1 . 1 3 3 DC H3' H 1 4.898 0.01 . 1 . . . . . 3 DC H3' . 52355 8
18 . 1 . 1 3 3 DC H5 H 1 5.458 0.01 . 1 . . . . . 3 DC H5 . 52355 8
19 . 1 . 1 3 3 DC H6 H 1 7.488 0.01 . 1 . . . . . 3 DC H6 . 52355 8
20 . 1 . 1 3 3 DC H41 H 1 8.225 0.01 . 1 . . . . . 3 DC H41 . 52355 8
21 . 1 . 1 3 3 DC H42 H 1 6.470 0.01 . 1 . . . . . 3 DC H42 . 52355 8
22 . 1 . 1 3 3 DC P P 31 -4.147 0.05 . 1 . . . . . 3 DC P . 52355 8
23 . 1 . 1 4 4 DC H1' H 1 5.607 0.01 . 1 . . . . . 4 DC H1' . 52355 8
24 . 1 . 1 4 4 DC H2' H 1 1.785 0.01 . 1 . . . . . 4 DC H2' . 52355 8
25 . 1 . 1 4 4 DC H2'' H 1 2.192 0.01 . 1 . . . . . 4 DC H2'' . 52355 8
26 . 1 . 1 4 4 DC H3' H 1 4.824 0.01 . 1 . . . . . 4 DC H3' . 52355 8
27 . 1 . 1 4 4 DC H5 H 1 5.617 0.01 . 1 . . . . . 4 DC H5 . 52355 8
28 . 1 . 1 4 4 DC H6 H 1 7.358 0.01 . 1 . . . . . 4 DC H6 . 52355 8
29 . 1 . 1 4 4 DC H41 H 1 8.473 0.01 . 1 . . . . . 4 DC H41 . 52355 8
30 . 1 . 1 4 4 DC H42 H 1 6.950 0.01 . 1 . . . . . 4 DC H42 . 52355 8
31 . 1 . 1 5 5 DG H1 H 1 12.918 0.01 . 1 . . . . . 5 DG H1 . 52355 8
32 . 1 . 1 5 5 DG H1' H 1 5.958 0.01 . 1 . . . . . 5 DG H1' . 52355 8
33 . 1 . 1 5 5 DG H2' H 1 2.211 0.01 . 1 . . . . . 5 DG H2' . 52355 8
34 . 1 . 1 5 5 DG H2'' H 1 2.430 0.01 . 1 . . . . . 5 DG H2'' . 52355 8
35 . 1 . 1 5 5 DG H3' H 1 4.977 0.01 . 1 . . . . . 5 DG H3' . 52355 8
36 . 1 . 1 6 6 DG H1' H 1 5.766 0.01 . 1 . . . . . 6 DG H1' . 52355 8
37 . 1 . 1 6 6 DG H2' H 1 3.121 0.01 . 2 . . . . . 6 DG H2' . 52355 8
38 . 1 . 1 6 6 DG H2'' H 1 3.188 0.01 . 2 . . . . . 6 DG H2'' . 52355 8
39 . 1 . 1 6 6 DG H3' H 1 5.266 0.01 . 1 . . . . . 6 DG H3' . 52355 8
40 . 1 . 1 6 6 DG H8 H 1 8.340 0.01 . 1 . . . . . 6 DG H8 . 52355 8
41 . 1 . 1 7 7 DG H1 H 1 11.687 0.01 . 1 . . . . . 7 DG H1 . 52355 8
42 . 1 . 1 7 7 DG H1' H 1 6.394 0.01 . 1 . . . . . 7 DG H1' . 52355 8
43 . 1 . 1 7 7 DG H2' H 1 3.229 0.01 . 2 . . . . . 7 DG H2' . 52355 8
44 . 1 . 1 7 7 DG H2'' H 1 3.029 0.01 . 2 . . . . . 7 DG H2'' . 52355 8
45 . 1 . 1 7 7 DG H3' H 1 4.898 0.01 . 1 . . . . . 7 DG H3' . 52355 8
46 . 1 . 1 7 7 DG H8 H 1 8.479 0.01 . 1 . . . . . 7 DG H8 . 52355 8
47 . 1 . 1 7 7 DG P P 31 -3.879 0.05 . 1 . . . . . 7 DG P . 52355 8
48 . 1 . 1 8 8 DG H1 H 1 12.801 0.01 . 1 . . . . . 8 DG H1 . 52355 8
49 . 1 . 1 8 8 DG H1' H 1 6.012 0.01 . 1 . . . . . 8 DG H1' . 52355 8
50 . 1 . 1 8 8 DG H2' H 1 2.571 0.01 . 2 . . . . . 8 DG H2' . 52355 8
51 . 1 . 1 8 8 DG H2'' H 1 2.842 0.01 . 2 . . . . . 8 DG H2'' . 52355 8
52 . 1 . 1 8 8 DG H3' H 1 4.895 0.01 . 1 . . . . . 8 DG H3' . 52355 8
53 . 1 . 1 8 8 DG H8 H 1 7.779 0.01 . 1 . . . . . 8 DG H8 . 52355 8
54 . 1 . 1 9 9 DT H1' H 1 6.065 0.01 . 1 . . . . . 9 DT H1' . 52355 8
55 . 1 . 1 9 9 DT H2' H 1 1.864 0.01 . 2 . . . . . 9 DT H2' . 52355 8
56 . 1 . 1 9 9 DT H2'' H 1 2.424 0.01 . 2 . . . . . 9 DT H2'' . 52355 8
57 . 1 . 1 9 9 DT H3 H 1 13.910 0.01 . 1 . . . . . 9 DT H3 . 52355 8
58 . 1 . 1 9 9 DT H3' H 1 4.783 0.01 . 1 . . . . . 9 DT H3' . 52355 8
59 . 1 . 1 9 9 DT H6 H 1 7.442 0.01 . 1 . . . . . 9 DT H6 . 52355 8
60 . 1 . 1 9 9 DT H71 H 1 1.386 0.01 . 3 . . . . . 9 DT H71 . 52355 8
61 . 1 . 1 9 9 DT H72 H 1 1.386 0.01 . 3 . . . . . 9 DT H72 . 52355 8
62 . 1 . 1 9 9 DT H73 H 1 1.386 0.01 . 3 . . . . . 9 DT H73 . 52355 8
63 . 1 . 1 10 10 DC H1' H 1 6.019 0.01 . 1 . . . . . 10 DC H1' . 52355 8
64 . 1 . 1 10 10 DC H2' H 1 1.758 0.01 . 1 . . . . . 10 DC H2' . 52355 8
65 . 1 . 1 10 10 DC H2'' H 1 2.280 0.01 . 1 . . . . . 10 DC H2'' . 52355 8
66 . 1 . 1 10 10 DC H3' H 1 4.836 0.01 . 1 . . . . . 10 DC H3' . 52355 8
67 . 1 . 1 10 10 DC H5 H 1 5.445 0.01 . 1 . . . . . 10 DC H5 . 52355 8
68 . 1 . 1 10 10 DC H6 H 1 7.235 0.01 . 1 . . . . . 10 DC H6 . 52355 8
69 . 1 . 1 10 10 DC H41 H 1 8.502 0.01 . 1 . . . . . 10 DC H41 . 52355 8
70 . 1 . 1 10 10 DC H42 H 1 7.159 0.01 . 1 . . . . . 10 DC H42 . 52355 8
71 . 1 . 1 11 11 DG H1' H 1 5.346 0.01 . 1 . . . . . 11 DG H1' . 52355 8
72 . 1 . 1 11 11 DG H2' H 1 2.704 0.01 . 1 . . . . . 11 DG H2' . 52355 8
73 . 1 . 1 11 11 DG H2'' H 1 2.574 0.01 . 1 . . . . . 11 DG H2'' . 52355 8
74 . 1 . 1 11 11 DG H3' H 1 4.927 0.01 . 1 . . . . . 11 DG H3' . 52355 8
75 . 1 . 1 11 11 DG H8 H 1 8.147 0.01 . 1 . . . . . 11 DG H8 . 52355 8
76 . 1 . 1 12 12 DA H1' H 1 5.976 0.01 . 1 . . . . . 12 DA H1' . 52355 8
77 . 1 . 1 12 12 DA H2' H 1 2.256 0.01 . 1 . . . . . 12 DA H2' . 52355 8
78 . 1 . 1 12 12 DA H2'' H 1 2.326 0.01 . 1 . . . . . 12 DA H2'' . 52355 8
79 . 1 . 1 12 12 DA H3' H 1 4.580 0.01 . 1 . . . . . 12 DA H3' . 52355 8
80 . 1 . 1 12 12 DA H5' H 1 3.400 0.01 . 2 . . . . . 12 DA H5' . 52355 8
81 . 1 . 1 12 12 DA H5'' H 1 3.091 0.01 . 2 . . . . . 12 DA H5'' . 52355 8
82 . 1 . 1 12 12 DA H8 H 1 8.138 0.01 . 1 . . . . . 12 DA H8 . 52355 8
83 . 1 . 1 13 13 DA H1' H 1 6.271 0.01 . 1 . . . . . 13 DA H1' . 52355 8
84 . 1 . 1 13 13 DA H2' H 1 2.728 0.01 . 2 . . . . . 13 DA H2' . 52355 8
85 . 1 . 1 13 13 DA H2'' H 1 2.851 0.01 . 2 . . . . . 13 DA H2'' . 52355 8
86 . 1 . 1 14 14 DG H1 H 1 12.983 0.01 . 1 . . . . . 14 DG H1 . 52355 8
87 . 1 . 1 14 14 DG H1' H 1 5.030 0.01 . 1 . . . . . 14 DG H1' . 52355 8
88 . 1 . 1 14 14 DG H2' H 1 2.656 0.01 . 1 . . . . . 14 DG H2' . 52355 8
89 . 1 . 1 14 14 DG H2'' H 1 2.551 0.01 . 1 . . . . . 14 DG H2'' . 52355 8
90 . 1 . 1 14 14 DG H3' H 1 4.905 0.01 . 1 . . . . . 14 DG H3' . 52355 8
91 . 1 . 1 14 14 DG H8 H 1 8.093 0.01 . 1 . . . . . 14 DG H8 . 52355 8
92 . 1 . 1 15 15 DA H1' H 1 6.251 0.01 . 1 . . . . . 15 DA H1' . 52355 8
93 . 1 . 1 15 15 DA H2 H 1 8.055 0.01 . 1 . . . . . 15 DA H2 . 52355 8
94 . 1 . 1 15 15 DA H2' H 1 2.581 0.01 . 1 . . . . . 15 DA H2' . 52355 8
95 . 1 . 1 15 15 DA H2'' H 1 2.774 0.01 . 1 . . . . . 15 DA H2'' . 52355 8
96 . 1 . 1 15 15 DA H3' H 1 5.038 0.01 . 1 . . . . . 15 DA H3' . 52355 8
97 . 1 . 1 15 15 DA P P 31 -3.488 0.05 . 1 . . . . . 15 DA P . 52355 8
98 . 1 . 1 16 16 DC H1' H 1 5.933 0.01 . 1 . . . . . 16 DC H1' . 52355 8
99 . 1 . 1 16 16 DC H2' H 1 1.976 0.01 . 1 . . . . . 16 DC H2' . 52355 8
100 . 1 . 1 16 16 DC H2'' H 1 2.317 0.01 . 1 . . . . . 16 DC H2'' . 52355 8
101 . 1 . 1 16 16 DC H3' H 1 4.814 0.01 . 1 . . . . . 16 DC H3' . 52355 8
102 . 1 . 1 16 16 DC H5 H 1 4.996 0.01 . 1 . . . . . 16 DC H5 . 52355 8
103 . 1 . 1 16 16 DC H6 H 1 7.246 0.01 . 1 . . . . . 16 DC H6 . 52355 8
104 . 1 . 1 16 16 DC H41 H 1 8.107 0.01 . 1 . . . . . 16 DC H41 . 52355 8
105 . 1 . 1 16 16 DC H42 H 1 6.576 0.01 . 1 . . . . . 16 DC H42 . 52355 8
106 . 1 . 1 17 17 DT H1' H 1 5.425 0.01 . 1 . . . . . 17 DT H1' . 52355 8
107 . 1 . 1 17 17 DT H2' H 1 0.632 0.01 . 1 . . . . . 17 DT H2' . 52355 8
108 . 1 . 1 17 17 DT H2'' H 1 1.555 0.01 . 1 . . . . . 17 DT H2'' . 52355 8
109 . 1 . 1 17 17 DT H3 H 1 10.753 0.01 . 1 . . . . . 17 DT H3 . 52355 8
110 . 1 . 1 17 17 DT H3' H 1 4.397 0.01 . 1 . . . . . 17 DT H3' . 52355 8
111 . 1 . 1 17 17 DT H5'' H 1 3.707 0.01 . 2 . . . . . 17 DT H5'' . 52355 8
112 . 1 . 1 17 17 DT H6 H 1 6.975 0.01 . 1 . . . . . 17 DT H6 . 52355 8
113 . 1 . 1 17 17 DT H71 H 1 1.335 0.01 . 3 . . . . . 17 DT H71 . 52355 8
114 . 1 . 1 17 17 DT H72 H 1 1.335 0.01 . 3 . . . . . 17 DT H72 . 52355 8
115 . 1 . 1 17 17 DT H73 H 1 1.335 0.01 . 3 . . . . . 17 DT H73 . 52355 8
116 . 1 . 1 17 17 DT P P 31 -4.983 0.05 . 1 . . . . . 17 DT P . 52355 8
117 . 1 . 1 18 18 DG H1 H 1 12.909 0.01 . 1 . . . . . 18 DG H1 . 52355 8
118 . 1 . 1 18 18 DG H1' H 1 5.376 0.01 . 1 . . . . . 18 DG H1' . 52355 8
119 . 1 . 1 18 18 DG H2' H 1 2.850 0.01 . 1 . . . . . 18 DG H2' . 52355 8
120 . 1 . 1 18 18 DG H2'' H 1 2.494 0.01 . 1 . . . . . 18 DG H2'' . 52355 8
121 . 1 . 1 18 18 DG H3' H 1 4.973 0.01 . 1 . . . . . 18 DG H3' . 52355 8
122 . 1 . 1 18 18 DG H8 H 1 7.979 0.01 . 1 . . . . . 18 DG H8 . 52355 8
123 . 1 . 1 19 19 DC H1' H 1 6.216 0.01 . 1 . . . . . 19 DC H1' . 52355 8
124 . 1 . 1 19 19 DC H2' H 1 2.033 0.01 . 1 . . . . . 19 DC H2' . 52355 8
125 . 1 . 1 19 19 DC H2'' H 1 2.381 0.01 . 1 . . . . . 19 DC H2'' . 52355 8
126 . 1 . 1 19 19 DC H3' H 1 4.953 0.01 . 1 . . . . . 19 DC H3' . 52355 8
127 . 1 . 1 19 19 DC H5 H 1 5.865 0.01 . 1 . . . . . 19 DC H5 . 52355 8
128 . 1 . 1 19 19 DC H6 H 1 7.589 0.01 . 1 . . . . . 19 DC H6 . 52355 8
129 . 1 . 1 19 19 DC H41 H 1 7.764 0.01 . 1 . . . . . 19 DC H41 . 52355 8
130 . 1 . 1 19 19 DC H42 H 1 6.715 0.01 . 1 . . . . . 19 DC H42 . 52355 8
131 . 1 . 1 19 19 DC P P 31 -2.904 0.05 . 1 . . . . . 19 DC P . 52355 8
132 . 1 . 1 20 20 DC H1' H 1 6.447 0.01 . 1 . . . . . 20 DC H1' . 52355 8
133 . 1 . 1 20 20 DC H2' H 1 2.766 0.01 . 2 . . . . . 20 DC H2' . 52355 8
134 . 1 . 1 20 20 DC H2'' H 1 2.766 0.01 . 2 . . . . . 20 DC H2'' . 52355 8
135 . 1 . 1 20 20 DC H3' H 1 5.158 0.01 . 1 . . . . . 20 DC H3' . 52355 8
136 . 1 . 1 20 20 DC H5 H 1 5.870 0.01 . 1 . . . . . 20 DC H5 . 52355 8
137 . 1 . 1 20 20 DC H6 H 1 7.865 0.01 . 1 . . . . . 20 DC H6 . 52355 8
138 . 1 . 1 20 20 DC H41 H 1 8.907 0.01 . 1 . . . . . 20 DC H41 . 52355 8
139 . 1 . 1 20 20 DC H42 H 1 7.058 0.01 . 1 . . . . . 20 DC H42 . 52355 8
140 . 1 . 1 20 20 DC P P 31 -4.894 0.05 . 1 . . . . . 20 DC P . 52355 8
141 . 1 . 1 21 21 DA H1' H 1 6.324 0.01 . 1 . . . . . 21 DA H1' . 52355 8
142 . 1 . 1 21 21 DA H2' H 1 2.138 0.01 . 1 . . . . . 21 DA H2' . 52355 8
143 . 1 . 1 21 21 DA H2'' H 1 2.809 0.01 . 1 . . . . . 21 DA H2'' . 52355 8
144 . 1 . 1 21 21 DA H3' H 1 5.199 0.01 . 1 . . . . . 21 DA H3' . 52355 8
145 . 1 . 1 21 21 DA H8 H 1 7.882 0.01 . 1 . . . . . 21 DA H8 . 52355 8
146 . 1 . 1 21 21 DA P P 31 -3.109 0.05 . 1 . . . . . 21 DA P . 52355 8
147 . 1 . 1 22 22 DG H1 H 1 13.161 0.01 . 1 . . . . . 22 DG H1 . 52355 8
148 . 1 . 1 22 22 DG H1' H 1 5.964 0.01 . 1 . . . . . 22 DG H1' . 52355 8
149 . 1 . 1 22 22 DG H2' H 1 2.483 0.01 . 2 . . . . . 22 DG H2' . 52355 8
150 . 1 . 1 22 22 DG H2'' H 1 2.539 0.01 . 2 . . . . . 22 DG H2'' . 52355 8
151 . 1 . 1 22 22 DG H3' H 1 4.696 0.01 . 1 . . . . . 22 DG H3' . 52355 8
152 . 1 . 1 22 22 DG H8 H 1 8.001 0.01 . 1 . . . . . 22 DG H8 . 52355 8
153 . 1 . 1 22 22 DG P P 31 -3.914 0.05 . 1 . . . . . 22 DG P . 52355 8
154 . 1 . 1 23 23 DC H1' H 1 5.492 0.01 . 1 . . . . . 23 DC H1' . 52355 8
155 . 1 . 1 23 23 DC H2' H 1 1.814 0.01 . 1 . . . . . 23 DC H2' . 52355 8
156 . 1 . 1 23 23 DC H2'' H 1 2.293 0.01 . 1 . . . . . 23 DC H2'' . 52355 8
157 . 1 . 1 23 23 DC H3' H 1 4.467 0.01 . 1 . . . . . 23 DC H3' . 52355 8
158 . 1 . 1 23 23 DC H5 H 1 6.225 0.01 . 1 . . . . . 23 DC H5 . 52355 8
159 . 1 . 1 23 23 DC H6 H 1 7.650 0.01 . 1 . . . . . 23 DC H6 . 52355 8
160 . 1 . 1 23 23 DC H41 H 1 8.775 0.01 . 1 . . . . . 23 DC H41 . 52355 8
161 . 1 . 1 23 23 DC P P 31 -3.550 0.05 . 1 . . . . . 23 DC P . 52355 8
162 . 1 . 1 24 24 DG H1 H 1 13.235 0.01 . 1 . . . . . 24 DG H1 . 52355 8
163 . 1 . 1 24 24 DG H1' H 1 5.732 0.01 . 1 . . . . . 24 DG H1' . 52355 8
164 . 1 . 1 24 24 DG H2' H 1 2.582 0.01 . 1 . . . . . 24 DG H2' . 52355 8
165 . 1 . 1 24 24 DG H2'' H 1 2.823 0.01 . 1 . . . . . 24 DG H2'' . 52355 8
166 . 1 . 1 24 24 DG H3' H 1 4.748 0.01 . 1 . . . . . 24 DG H3' . 52355 8
167 . 1 . 1 24 24 DG H8 H 1 7.722 0.01 . 1 . . . . . 24 DG H8 . 52355 8
168 . 1 . 1 24 24 DG P P 31 -3.922 0.05 . 1 . . . . . 24 DG P . 52355 8
169 . 1 . 1 25 25 DG H1 H 1 12.560 0.01 . 1 . . . . . 25 DG H1 . 52355 8
170 . 1 . 1 25 25 DG H1' H 1 5.185 0.01 . 1 . . . . . 25 DG H1' . 52355 8
171 . 1 . 1 25 25 DG H2' H 1 2.466 0.01 . 1 . . . . . 25 DG H2' . 52355 8
172 . 1 . 1 25 25 DG H2'' H 1 2.316 0.01 . 1 . . . . . 25 DG H2'' . 52355 8
173 . 1 . 1 25 25 DG H3' H 1 4.785 0.01 . 1 . . . . . 25 DG H3' . 52355 8
174 . 1 . 1 25 25 DG H8 H 1 7.760 0.01 . 1 . . . . . 25 DG H8 . 52355 8
175 . 1 . 1 26 26 DC H1' H 1 6.075 0.01 . 1 . . . . . 26 DC H1' . 52355 8
176 . 1 . 1 26 26 DC H2' H 1 2.214 0.01 . 2 . . . . . 26 DC H2' . 52355 8
177 . 1 . 1 26 26 DC H2'' H 1 2.450 0.01 . 2 . . . . . 26 DC H2'' . 52355 8
178 . 1 . 1 26 26 DC H3' H 1 4.725 0.01 . 1 . . . . . 26 DC H3' . 52355 8
179 . 1 . 1 26 26 DC H5 H 1 5.647 0.01 . 1 . . . . . 26 DC H5 . 52355 8
180 . 1 . 1 26 26 DC H6 H 1 7.453 0.01 . 1 . . . . . 26 DC H6 . 52355 8
181 . 1 . 1 26 26 DC H41 H 1 8.077 0.01 . 1 . . . . . 26 DC H41 . 52355 8
182 . 1 . 1 26 26 DC H42 H 1 6.804 0.01 . 1 . . . . . 26 DC H42 . 52355 8
183 . 1 . 1 26 26 DC P P 31 -3.308 0.05 . 1 . . . . . 26 DC P . 52355 8
184 . 1 . 1 27 27 DT H1' H 1 6.127 0.01 . 1 . . . . . 27 DT H1' . 52355 8
185 . 1 . 1 27 27 DT H3' H 1 4.656 0.01 . 1 . . . . . 27 DT H3' . 52355 8
186 . 1 . 1 27 27 DT H6 H 1 7.239 0.01 . 1 . . . . . 27 DT H6 . 52355 8
187 . 1 . 1 27 27 DT H71 H 1 1.647 0.01 . 3 . . . . . 27 DT H71 . 52355 8
188 . 1 . 1 27 27 DT H72 H 1 1.647 0.01 . 3 . . . . . 27 DT H72 . 52355 8
189 . 1 . 1 27 27 DT H73 H 1 1.647 0.01 . 3 . . . . . 27 DT H73 . 52355 8
190 . 1 . 1 28 28 DC H1' H 1 5.984 0.01 . 1 . . . . . 28 DC H1' . 52355 8
191 . 1 . 1 28 28 DC H2' H 1 2.165 0.01 . 2 . . . . . 28 DC H2' . 52355 8
192 . 1 . 1 28 28 DC H3' H 1 4.883 0.01 . 1 . . . . . 28 DC H3' . 52355 8
193 . 1 . 1 28 28 DC H5 H 1 5.574 0.01 . 1 . . . . . 28 DC H5 . 52355 8
194 . 1 . 1 28 28 DC H6 H 1 7.303 0.01 . 1 . . . . . 28 DC H6 . 52355 8
195 . 1 . 1 28 28 DC H41 H 1 8.698 0.01 . 1 . . . . . 28 DC H41 . 52355 8
196 . 1 . 1 28 28 DC H42 H 1 7.256 0.01 . 1 . . . . . 28 DC H42 . 52355 8
197 . 1 . 1 29 29 DG H3' H 1 5.000 0.01 . 1 . . . . . 29 DG H3' . 52355 8
198 . 1 . 1 29 29 DG H8 H 1 8.147 0.01 . 1 . . . . . 29 DG H8 . 52355 8
199 . 1 . 1 30 30 DA H1' H 1 5.151 0.01 . 1 . . . . . 30 DA H1' . 52355 8
200 . 1 . 1 30 30 DA H2' H 1 1.427 0.01 . 2 . . . . . 30 DA H2' . 52355 8
201 . 1 . 1 30 30 DA H3' H 1 4.666 0.01 . 1 . . . . . 30 DA H3' . 52355 8
202 . 1 . 1 30 30 DA H8 H 1 8.098 0.01 . 1 . . . . . 30 DA H8 . 52355 8
203 . 1 . 1 30 30 DA P P 31 -2.671 0.05 . 1 . . . . . 30 DA P . 52355 8
204 . 1 . 1 31 31 DC H1' H 1 4.990 0.01 . 1 . . . . . 31 DC H1' . 52355 8
205 . 1 . 1 31 31 DC H2' H 1 2.130 0.01 . 1 . . . . . 31 DC H2' . 52355 8
206 . 1 . 1 31 31 DC H2'' H 1 2.305 0.01 . 1 . . . . . 31 DC H2'' . 52355 8
207 . 1 . 1 31 31 DC H3' H 1 4.795 0.01 . 1 . . . . . 31 DC H3' . 52355 8
208 . 1 . 1 31 31 DC H5 H 1 5.718 0.01 . 1 . . . . . 31 DC H5 . 52355 8
209 . 1 . 1 31 31 DC H6 H 1 7.398 0.01 . 1 . . . . . 31 DC H6 . 52355 8
210 . 1 . 1 31 31 DC H41 H 1 8.500 0.01 . 1 . . . . . 31 DC H41 . 52355 8
211 . 1 . 1 31 31 DC H42 H 1 7.058 0.01 . 1 . . . . . 31 DC H42 . 52355 8
212 . 1 . 1 32 32 DG H1 H 1 13.230 0.01 . 1 . . . . . 32 DG H1 . 52355 8
213 . 1 . 1 32 32 DG H1' H 1 5.697 0.01 . 1 . . . . . 32 DG H1' . 52355 8
214 . 1 . 1 32 32 DG H2' H 1 2.740 0.01 . 1 . . . . . 32 DG H2' . 52355 8
215 . 1 . 1 32 32 DG H2'' H 1 2.832 0.01 . 1 . . . . . 32 DG H2'' . 52355 8
216 . 1 . 1 32 32 DG H3' H 1 5.045 0.01 . 1 . . . . . 32 DG H3' . 52355 8
217 . 1 . 1 32 32 DG H8 H 1 7.900 0.01 . 1 . . . . . 32 DG H8 . 52355 8
218 . 1 . 1 32 32 DG P P 31 -3.570 0.05 . 1 . . . . . 32 DG P . 52355 8
219 . 1 . 1 33 33 DG H1 H 1 13.062 0.01 . 1 . . . . . 33 DG H1 . 52355 8
220 . 1 . 1 33 33 DG H1' H 1 5.916 0.01 . 1 . . . . . 33 DG H1' . 52355 8
221 . 1 . 1 33 33 DG H2' H 1 2.596 0.01 . 1 . . . . . 33 DG H2' . 52355 8
222 . 1 . 1 33 33 DG H2'' H 1 2.745 0.01 . 1 . . . . . 33 DG H2'' . 52355 8
223 . 1 . 1 33 33 DG H3' H 1 5.020 0.01 . 1 . . . . . 33 DG H3' . 52355 8
224 . 1 . 1 33 33 DG H8 H 1 7.816 0.01 . 1 . . . . . 33 DG H8 . 52355 8
225 . 1 . 1 33 33 DG P P 31 -4.254 0.05 . 1 . . . . . 33 DG P . 52355 8
226 . 1 . 1 34 34 DC H1' H 1 5.741 0.01 . 1 . . . . . 34 DC H1' . 52355 8
227 . 1 . 1 34 34 DC H2' H 1 1.936 0.01 . 1 . . . . . 34 DC H2' . 52355 8
228 . 1 . 1 34 34 DC H2'' H 1 2.366 0.01 . 1 . . . . . 34 DC H2'' . 52355 8
229 . 1 . 1 34 34 DC H3' H 1 4.845 0.01 . 1 . . . . . 34 DC H3' . 52355 8
230 . 1 . 1 34 34 DC H5 H 1 5.446 0.01 . 1 . . . . . 34 DC H5 . 52355 8
231 . 1 . 1 34 34 DC H6 H 1 7.336 0.01 . 1 . . . . . 34 DC H6 . 52355 8
232 . 1 . 1 34 34 DC H41 H 1 8.494 0.01 . 1 . . . . . 34 DC H41 . 52355 8
233 . 1 . 1 34 34 DC H42 H 1 6.665 0.01 . 1 . . . . . 34 DC H42 . 52355 8
234 . 1 . 1 34 34 DC P P 31 -4.101 0.05 . 1 . . . . . 34 DC P . 52355 8
235 . 1 . 1 35 35 DG H1' H 1 6.196 0.01 . 1 . . . . . 35 DG H1' . 52355 8
236 . 1 . 1 35 35 DG H2' H 1 2.640 0.01 . 1 . . . . . 35 DG H2' . 52355 8
237 . 1 . 1 35 35 DG H2'' H 1 2.383 0.01 . 1 . . . . . 35 DG H2'' . 52355 8
238 . 1 . 1 35 35 DG H3' H 1 4.707 0.01 . 1 . . . . . 35 DG H3' . 52355 8
239 . 1 . 1 35 35 DG H8 H 1 7.973 0.01 . 1 . . . . . 35 DG H8 . 52355 8
240 . 1 . 1 35 35 DG P P 31 -3.920 0.05 . 1 . . . . . 35 DG P . 52355 8
stop_
save_