Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 34157
_Assigned_chem_shift_list.ID 2
_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 DQF-COSY' . . . 34157 2
2 '2D 1H-1H TOCSY' . . . 34157 2
3 '2D 1H-13C HSQC' . . . 34157 2
4 '1H-31P COSY' . . . 34157 2
5 '2D 1H-1H NOESY' . . . 34157 2
6 '2D 1H-1H NOESY' . . . 34157 2
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.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 DCZ H1' H 1 5.757 0.000 . 1 . . . . A 1 DCZ H1' . 34157 2
2 . 1 1 1 1 DCZ H3' H 1 4.697 0.004 . 1 . . . . A 1 DCZ H3' . 34157 2
3 . 1 1 1 1 DCZ H4' H 1 4.055 0.000 . 1 . . . . A 1 DCZ H4' . 34157 2
4 . 1 1 1 1 DCZ H5 H 1 5.887 0.000 . 1 . . . . A 1 DCZ H5 . 34157 2
5 . 1 1 1 1 DCZ H6 H 1 7.580 0.000 . 1 . . . . A 1 DCZ H6 . 34157 2
6 . 1 1 1 1 DCZ C1' C 13 85.290 0.000 . 1 . . . . A 1 DCZ C1' . 34157 2
7 . 1 1 1 1 DCZ C3' C 13 75.631 0.000 . 1 . . . . A 1 DCZ C3' . 34157 2
8 . 1 1 1 1 DCZ C4' C 13 85.700 0.000 . 1 . . . . A 1 DCZ C4' . 34157 2
9 . 1 1 1 1 DCZ C5 C 13 96.833 0.000 . 1 . . . . A 1 DCZ C5 . 34157 2
10 . 1 1 1 1 DCZ C6 C 13 140.423 0.000 . 1 . . . . A 1 DCZ C6 . 34157 2
11 . 1 1 2 2 DG H1' H 1 5.435 0.000 . 1 . . . . A 2 DG H1' . 34157 2
12 . 1 1 2 2 DG H3' H 1 5.033 0.002 . 1 . . . . A 2 DG H3' . 34157 2
13 . 1 1 2 2 DG H4' H 1 4.318 0.000 . 1 . . . . A 2 DG H4' . 34157 2
14 . 1 1 2 2 DG H8 H 1 8.013 0.000 . 1 . . . . A 2 DG H8 . 34157 2
15 . 1 1 2 2 DG C1' C 13 81.437 0.000 . 1 . . . . A 2 DG C1' . 34157 2
16 . 1 1 2 2 DG C3' C 13 76.587 0.000 . 1 . . . . A 2 DG C3' . 34157 2
17 . 1 1 2 2 DG C4' C 13 84.721 0.000 . 1 . . . . A 2 DG C4' . 34157 2
18 . 1 1 2 2 DG C8 C 13 135.696 0.000 . 1 . . . . A 2 DG C8 . 34157 2
19 . 1 1 2 2 DG P P 31 -1.091 0.000 . 1 . . . . A 2 DG P . 34157 2
20 . 1 1 3 3 DA H1' H 1 6.345 0.000 . 1 . . . . A 3 DA H1' . 34157 2
21 . 1 1 3 3 DA H2 H 1 7.956 0.000 . 1 . . . . A 3 DA H2 . 34157 2
22 . 1 1 3 3 DA H3' H 1 5.124 0.001 . 1 . . . . A 3 DA H3' . 34157 2
23 . 1 1 3 3 DA H4' H 1 4.516 0.003 . 1 . . . . A 3 DA H4' . 34157 2
24 . 1 1 3 3 DA H8 H 1 8.424 0.000 . 1 . . . . A 3 DA H8 . 34157 2
25 . 1 1 3 3 DA C1' C 13 82.041 0.000 . 1 . . . . A 3 DA C1' . 34157 2
26 . 1 1 3 3 DA C2 C 13 152.069 0.000 . 1 . . . . A 3 DA C2 . 34157 2
27 . 1 1 3 3 DA C3' C 13 77.394 0.000 . 1 . . . . A 3 DA C3' . 34157 2
28 . 1 1 3 3 DA C4' C 13 85.141 0.000 . 1 . . . . A 3 DA C4' . 34157 2
29 . 1 1 3 3 DA C8 C 13 138.927 0.000 . 1 . . . . A 3 DA C8 . 34157 2
30 . 1 1 3 3 DA P P 31 -0.881 0.003 . 1 . . . . A 3 DA P . 34157 2
31 . 1 1 4 4 DT H1' H 1 5.724 0.000 . 1 . . . . A 4 DT H1' . 34157 2
32 . 1 1 4 4 DT H3' H 1 5.036 0.003 . 1 . . . . A 4 DT H3' . 34157 2
33 . 1 1 4 4 DT H4' H 1 4.253 0.000 . 1 . . . . A 4 DT H4' . 34157 2
34 . 1 1 4 4 DT H6 H 1 7.415 0.000 . 1 . . . . A 4 DT H6 . 34157 2
35 . 1 1 4 4 DT H71 H 1 1.554 0.000 . 1 . . . . A 4 DT H71 . 34157 2
36 . 1 1 4 4 DT H72 H 1 1.554 0.000 . 1 . . . . A 4 DT H72 . 34157 2
37 . 1 1 4 4 DT H73 H 1 1.554 0.000 . 1 . . . . A 4 DT H73 . 34157 2
38 . 1 1 4 4 DT C1' C 13 83.110 0.000 . 1 . . . . A 4 DT C1' . 34157 2
39 . 1 1 4 4 DT C3' C 13 75.633 0.000 . 1 . . . . A 4 DT C3' . 34157 2
40 . 1 1 4 4 DT C4' C 13 84.942 0.000 . 1 . . . . A 4 DT C4' . 34157 2
41 . 1 1 4 4 DT C6 C 13 136.274 0.000 . 1 . . . . A 4 DT C6 . 34157 2
42 . 1 1 4 4 DT C7 C 13 11.421 0.000 . 1 . . . . A 4 DT C7 . 34157 2
43 . 1 1 4 4 DT P P 31 -1.478 0.000 . 1 . . . . A 4 DT P . 34157 2
44 . 1 1 5 5 DG H1' H 1 5.861 0.000 . 1 . . . . A 5 DG H1' . 34157 2
45 . 1 1 5 5 DG H3' H 1 5.024 0.000 . 1 . . . . A 5 DG H3' . 34157 2
46 . 1 1 5 5 DG H8 H 1 7.989 0.000 . 1 . . . . A 5 DG H8 . 34157 2
47 . 1 1 5 5 DG C1' C 13 82.602 0.000 . 1 . . . . A 5 DG C1' . 34157 2
48 . 1 1 5 5 DG C3' C 13 78.539 0.000 . 1 . . . . A 5 DG C3' . 34157 2
49 . 1 1 5 5 DG C8 C 13 135.741 0.000 . 1 . . . . A 5 DG C8 . 34157 2
50 . 1 1 5 5 DG P P 31 -0.477 0.000 . 1 . . . . A 5 DG P . 34157 2
51 . 1 1 6 6 DT H1' H 1 4.899 0.000 . 1 . . . . A 6 DT H1' . 34157 2
52 . 1 1 6 6 DT H3' H 1 4.564 0.000 . 1 . . . . A 6 DT H3' . 34157 2
53 . 1 1 6 6 DT H4' H 1 2.609 0.000 . 1 . . . . A 6 DT H4' . 34157 2
54 . 1 1 6 6 DT H71 H 1 1.347 0.000 . 1 . . . . A 6 DT H71 . 34157 2
55 . 1 1 6 6 DT H72 H 1 1.347 0.000 . 1 . . . . A 6 DT H72 . 34157 2
56 . 1 1 6 6 DT H73 H 1 1.347 0.000 . 1 . . . . A 6 DT H73 . 34157 2
57 . 1 1 6 6 DT C1' C 13 82.323 0.000 . 1 . . . . A 6 DT C1' . 34157 2
58 . 1 1 6 6 DT C3' C 13 74.192 0.000 . 1 . . . . A 6 DT C3' . 34157 2
59 . 1 1 6 6 DT C4' C 13 82.660 0.000 . 1 . . . . A 6 DT C4' . 34157 2
60 . 1 1 6 6 DT C7 C 13 11.840 0.000 . 1 . . . . A 6 DT C7 . 34157 2
61 . 1 1 6 6 DT P P 31 -1.630 0.000 . 1 . . . . A 6 DT P . 34157 2
62 . 1 1 7 7 DA H1' H 1 5.513 0.000 . 1 . . . . A 7 DA H1' . 34157 2
63 . 1 1 7 7 DA H2 H 1 8.050 0.000 . 1 . . . . A 7 DA H2 . 34157 2
64 . 1 1 7 7 DA H4' H 1 2.836 0.004 . 1 . . . . A 7 DA H4' . 34157 2
65 . 1 1 7 7 DA H8 H 1 8.112 0.000 . 1 . . . . A 7 DA H8 . 34157 2
66 . 1 1 7 7 DA C2 C 13 152.096 0.000 . 1 . . . . A 7 DA C2 . 34157 2
67 . 1 1 7 7 DA C4' C 13 83.112 0.000 . 1 . . . . A 7 DA C4' . 34157 2
68 . 1 1 7 7 DA C8 C 13 139.957 0.000 . 1 . . . . A 7 DA C8 . 34157 2
69 . 1 1 7 7 DA P P 31 -1.640 0.000 . 1 . . . . A 7 DA P . 34157 2
70 . 1 1 8 8 DC H1' H 1 5.305 0.000 . 1 . . . . A 8 DC H1' . 34157 2
71 . 1 1 8 8 DC H3' H 1 4.538 0.000 . 1 . . . . A 8 DC H3' . 34157 2
72 . 1 1 8 8 DC H4' H 1 2.190 0.003 . 1 . . . . A 8 DC H4' . 34157 2
73 . 1 1 8 8 DC H5 H 1 5.272 0.000 . 1 . . . . A 8 DC H5 . 34157 2
74 . 1 1 8 8 DC H6 H 1 6.874 0.000 . 1 . . . . A 8 DC H6 . 34157 2
75 . 1 1 8 8 DC C1' C 13 81.684 0.000 . 1 . . . . A 8 DC C1' . 34157 2
76 . 1 1 8 8 DC C3' C 13 73.021 0.000 . 1 . . . . A 8 DC C3' . 34157 2
77 . 1 1 8 8 DC C4' C 13 80.767 0.000 . 1 . . . . A 8 DC C4' . 34157 2
78 . 1 1 8 8 DC C5 C 13 96.283 0.000 . 1 . . . . A 8 DC C5 . 34157 2
79 . 1 1 8 8 DC C6 C 13 139.920 0.000 . 1 . . . . A 8 DC C6 . 34157 2
80 . 1 1 8 8 DC P P 31 -1.864 0.000 . 1 . . . . A 8 DC P . 34157 2
81 . 1 1 9 9 DA H1' H 1 5.562 0.000 . 1 . . . . A 9 DA H1' . 34157 2
82 . 1 1 9 9 DA H2 H 1 7.732 0.000 . 1 . . . . A 9 DA H2 . 34157 2
83 . 1 1 9 9 DA H3' H 1 4.650 0.000 . 1 . . . . A 9 DA H3' . 34157 2
84 . 1 1 9 9 DA H4' H 1 2.649 0.004 . 1 . . . . A 9 DA H4' . 34157 2
85 . 1 1 9 9 DA H8 H 1 8.289 0.000 . 1 . . . . A 9 DA H8 . 34157 2
86 . 1 1 9 9 DA C1' C 13 80.548 0.000 . 1 . . . . A 9 DA C1' . 34157 2
87 . 1 1 9 9 DA C2 C 13 151.538 0.000 . 1 . . . . A 9 DA C2 . 34157 2
88 . 1 1 9 9 DA C3' C 13 74.217 0.000 . 1 . . . . A 9 DA C3' . 34157 2
89 . 1 1 9 9 DA C4' C 13 82.415 0.000 . 1 . . . . A 9 DA C4' . 34157 2
90 . 1 1 9 9 DA C8 C 13 139.657 0.000 . 1 . . . . A 9 DA C8 . 34157 2
91 . 1 1 9 9 DA P P 31 -1.955 0.000 . 1 . . . . A 9 DA P . 34157 2
92 . 1 1 10 10 DT H1' H 1 5.680 0.000 . 1 . . . . A 10 DT H1' . 34157 2
93 . 1 1 10 10 DT H3' H 1 4.765 0.000 . 1 . . . . A 10 DT H3' . 34157 2
94 . 1 1 10 10 DT H4' H 1 3.898 0.000 . 1 . . . . A 10 DT H4' . 34157 2
95 . 1 1 10 10 DT H6 H 1 6.961 0.000 . 1 . . . . A 10 DT H6 . 34157 2
96 . 1 1 10 10 DT H71 H 1 1.436 0.000 . 1 . . . . A 10 DT H71 . 34157 2
97 . 1 1 10 10 DT H72 H 1 1.436 0.000 . 1 . . . . A 10 DT H72 . 34157 2
98 . 1 1 10 10 DT H73 H 1 1.436 0.000 . 1 . . . . A 10 DT H73 . 34157 2
99 . 1 1 10 10 DT C1' C 13 81.437 0.000 . 1 . . . . A 10 DT C1' . 34157 2
100 . 1 1 10 10 DT C3' C 13 73.711 0.000 . 1 . . . . A 10 DT C3' . 34157 2
101 . 1 1 10 10 DT C4' C 13 81.743 0.000 . 1 . . . . A 10 DT C4' . 34157 2
102 . 1 1 10 10 DT C6 C 13 135.869 0.000 . 1 . . . . A 10 DT C6 . 34157 2
103 . 1 1 10 10 DT C7 C 13 11.357 0.000 . 1 . . . . A 10 DT C7 . 34157 2
104 . 1 1 10 10 DT P P 31 -1.853 0.000 . 1 . . . . A 10 DT P . 34157 2
105 . 1 1 11 11 DC H1' H 1 5.732 0.000 . 1 . . . . A 11 DC H1' . 34157 2
106 . 1 1 11 11 DC H3' H 1 4.812 0.000 . 1 . . . . A 11 DC H3' . 34157 2
107 . 1 1 11 11 DC H4' H 1 4.106 0.001 . 1 . . . . A 11 DC H4' . 34157 2
108 . 1 1 11 11 DC H5 H 1 5.605 0.000 . 1 . . . . A 11 DC H5 . 34157 2
109 . 1 1 11 11 DC H6 H 1 7.403 0.000 . 1 . . . . A 11 DC H6 . 34157 2
110 . 1 1 11 11 DC C1' C 13 83.564 0.000 . 1 . . . . A 11 DC C1' . 34157 2
111 . 1 1 11 11 DC C3' C 13 73.968 0.000 . 1 . . . . A 11 DC C3' . 34157 2
112 . 1 1 11 11 DC C4' C 13 82.792 0.000 . 1 . . . . A 11 DC C4' . 34157 2
113 . 1 1 11 11 DC C5 C 13 96.016 0.000 . 1 . . . . A 11 DC C5 . 34157 2
114 . 1 1 11 11 DC C6 C 13 141.068 0.000 . 1 . . . . A 11 DC C6 . 34157 2
115 . 1 1 11 11 DC P P 31 -0.968 0.000 . 1 . . . . A 11 DC P . 34157 2
116 . 1 1 12 12 DG H1' H 1 6.140 0.000 . 1 . . . . A 12 DG H1' . 34157 2
117 . 1 1 12 12 DG H3' H 1 4.671 0.000 . 1 . . . . A 12 DG H3' . 34157 2
118 . 1 1 12 12 DG H4' H 1 4.175 0.003 . 1 . . . . A 12 DG H4' . 34157 2
119 . 1 1 12 12 DG H8 H 1 7.925 0.000 . 1 . . . . A 12 DG H8 . 34157 2
120 . 1 1 12 12 DG C1' C 13 82.070 0.000 . 1 . . . . A 12 DG C1' . 34157 2
121 . 1 1 12 12 DG C3' C 13 70.822 0.000 . 1 . . . . A 12 DG C3' . 34157 2
122 . 1 1 12 12 DG C4' C 13 85.325 0.000 . 1 . . . . A 12 DG C4' . 34157 2
123 . 1 1 12 12 DG C8 C 13 136.612 0.000 . 1 . . . . A 12 DG C8 . 34157 2
124 . 1 1 12 12 DG P P 31 -0.961 0.000 . 1 . . . . A 12 DG P . 34157 2
125 . 2 1 1 1 DCZ H1' H 1 5.740 0.000 . 1 . . . . B 13 DCZ H1' . 34157 2
126 . 2 1 1 1 DCZ H3' H 1 4.715 0.001 . 1 . . . . B 13 DCZ H3' . 34157 2
127 . 2 1 1 1 DCZ H4' H 1 4.067 0.000 . 1 . . . . B 13 DCZ H4' . 34157 2
128 . 2 1 1 1 DCZ H5 H 1 5.852 0.000 . 1 . . . . B 13 DCZ H5 . 34157 2
129 . 2 1 1 1 DCZ H6 H 1 7.637 0.000 . 1 . . . . B 13 DCZ H6 . 34157 2
130 . 2 1 1 1 DCZ C1' C 13 85.304 0.000 . 1 . . . . B 13 DCZ C1' . 34157 2
131 . 2 1 1 1 DCZ C3' C 13 75.078 0.000 . 1 . . . . B 13 DCZ C3' . 34157 2
132 . 2 1 1 1 DCZ C4' C 13 85.479 0.000 . 1 . . . . B 13 DCZ C4' . 34157 2
133 . 2 1 1 1 DCZ C5 C 13 96.925 0.000 . 1 . . . . B 13 DCZ C5 . 34157 2
134 . 2 1 1 1 DCZ C6 C 13 140.475 0.000 . 1 . . . . B 13 DCZ C6 . 34157 2
135 . 2 1 2 2 DG H3' H 1 5.044 0.002 . 1 . . . . B 14 DG H3' . 34157 2
136 . 2 1 2 2 DG H4' H 1 4.363 0.000 . 1 . . . . B 14 DG H4' . 34157 2
137 . 2 1 2 2 DG H8 H 1 7.995 0.000 . 1 . . . . B 14 DG H8 . 34157 2
138 . 2 1 2 2 DG C3' C 13 77.237 0.000 . 1 . . . . B 14 DG C3' . 34157 2
139 . 2 1 2 2 DG C4' C 13 84.706 0.000 . 1 . . . . B 14 DG C4' . 34157 2
140 . 2 1 2 2 DG C8 C 13 136.169 0.000 . 1 . . . . B 14 DG C8 . 34157 2
141 . 2 1 2 2 DG P P 31 -1.107 0.000 . 1 . . . . B 14 DG P . 34157 2
142 . 2 1 3 3 DA H1' H 1 6.319 0.000 . 1 . . . . B 15 DA H1' . 34157 2
143 . 2 1 3 3 DA H2 H 1 7.885 0.000 . 1 . . . . B 15 DA H2 . 34157 2
144 . 2 1 3 3 DA H3' H 1 5.100 0.002 . 1 . . . . B 15 DA H3' . 34157 2
145 . 2 1 3 3 DA H4' H 1 4.500 0.004 . 1 . . . . B 15 DA H4' . 34157 2
146 . 2 1 3 3 DA H8 H 1 8.314 0.000 . 1 . . . . B 15 DA H8 . 34157 2
147 . 2 1 3 3 DA C1' C 13 82.254 0.000 . 1 . . . . B 15 DA C1' . 34157 2
148 . 2 1 3 3 DA C2 C 13 152.412 0.000 . 1 . . . . B 15 DA C2 . 34157 2
149 . 2 1 3 3 DA C3' C 13 77.116 0.000 . 1 . . . . B 15 DA C3' . 34157 2
150 . 2 1 3 3 DA C4' C 13 84.883 0.000 . 1 . . . . B 15 DA C4' . 34157 2
151 . 2 1 3 3 DA C8 C 13 138.691 0.000 . 1 . . . . B 15 DA C8 . 34157 2
152 . 2 1 3 3 DA P P 31 -1.179 0.002 . 1 . . . . B 15 DA P . 34157 2
153 . 2 1 4 4 DT H1' H 1 5.610 0.000 . 1 . . . . B 16 DT H1' . 34157 2
154 . 2 1 4 4 DT H3' H 1 4.920 0.003 . 1 . . . . B 16 DT H3' . 34157 2
155 . 2 1 4 4 DT H4' H 1 4.130 0.000 . 1 . . . . B 16 DT H4' . 34157 2
156 . 2 1 4 4 DT H6 H 1 7.269 0.000 . 1 . . . . B 16 DT H6 . 34157 2
157 . 2 1 4 4 DT H71 H 1 1.519 0.000 . 1 . . . . B 16 DT H71 . 34157 2
158 . 2 1 4 4 DT H72 H 1 1.519 0.000 . 1 . . . . B 16 DT H72 . 34157 2
159 . 2 1 4 4 DT H73 H 1 1.519 0.000 . 1 . . . . B 16 DT H73 . 34157 2
160 . 2 1 4 4 DT C1' C 13 82.438 0.000 . 1 . . . . B 16 DT C1' . 34157 2
161 . 2 1 4 4 DT C3' C 13 73.201 0.000 . 1 . . . . B 16 DT C3' . 34157 2
162 . 2 1 4 4 DT C4' C 13 82.232 0.000 . 1 . . . . B 16 DT C4' . 34157 2
163 . 2 1 4 4 DT C6 C 13 136.176 0.000 . 1 . . . . B 16 DT C6 . 34157 2
164 . 2 1 4 4 DT C7 C 13 11.468 0.000 . 1 . . . . B 16 DT C7 . 34157 2
165 . 2 1 4 4 DT P P 31 -1.348 0.000 . 1 . . . . B 16 DT P . 34157 2
166 . 2 1 5 5 DG H1' H 1 5.782 0.000 . 1 . . . . B 17 DG H1' . 34157 2
167 . 2 1 5 5 DG H3' H 1 4.993 0.003 . 1 . . . . B 17 DG H3' . 34157 2
168 . 2 1 5 5 DG H4' H 1 4.259 0.000 . 1 . . . . B 17 DG H4' . 34157 2
169 . 2 1 5 5 DG H8 H 1 8.002 0.000 . 1 . . . . B 17 DG H8 . 34157 2
170 . 2 1 5 5 DG C1' C 13 82.641 0.000 . 1 . . . . B 17 DG C1' . 34157 2
171 . 2 1 5 5 DG C3' C 13 78.270 0.000 . 1 . . . . B 17 DG C3' . 34157 2
172 . 2 1 5 5 DG C4' C 13 82.895 0.000 . 1 . . . . B 17 DG C4' . 34157 2
173 . 2 1 5 5 DG C8 C 13 137.084 0.000 . 1 . . . . B 17 DG C8 . 34157 2
174 . 2 1 5 5 DG P P 31 -0.482 0.000 . 1 . . . . B 17 DG P . 34157 2
175 . 2 1 6 6 DT H1' H 1 5.192 0.000 . 1 . . . . B 18 DT H1' . 34157 2
176 . 2 1 6 6 DT H3' H 1 4.622 0.000 . 1 . . . . B 18 DT H3' . 34157 2
177 . 2 1 6 6 DT H4' H 1 2.054 0.000 . 1 . . . . B 18 DT H4' . 34157 2
178 . 2 1 6 6 DT H6 H 1 6.974 0.000 . 1 . . . . B 18 DT H6 . 34157 2
179 . 2 1 6 6 DT H71 H 1 1.442 0.000 . 1 . . . . B 18 DT H71 . 34157 2
180 . 2 1 6 6 DT H72 H 1 1.442 0.000 . 1 . . . . B 18 DT H72 . 34157 2
181 . 2 1 6 6 DT H73 H 1 1.442 0.000 . 1 . . . . B 18 DT H73 . 34157 2
182 . 2 1 6 6 DT C1' C 13 81.983 0.000 . 1 . . . . B 18 DT C1' . 34157 2
183 . 2 1 6 6 DT C3' C 13 74.011 0.000 . 1 . . . . B 18 DT C3' . 34157 2
184 . 2 1 6 6 DT C4' C 13 81.474 0.000 . 1 . . . . B 18 DT C4' . 34157 2
185 . 2 1 6 6 DT C6 C 13 136.401 0.000 . 1 . . . . B 18 DT C6 . 34157 2
186 . 2 1 6 6 DT C7 C 13 12.216 0.000 . 1 . . . . B 18 DT C7 . 34157 2
187 . 2 1 6 6 DT P P 31 -1.547 0.000 . 1 . . . . B 18 DT P . 34157 2
188 . 2 1 7 7 DA H1' H 1 5.505 0.000 . 1 . . . . B 19 DA H1' . 34157 2
189 . 2 1 7 7 DA H2 H 1 8.026 0.000 . 1 . . . . B 19 DA H2 . 34157 2
190 . 2 1 7 7 DA H4' H 1 2.585 0.000 . 1 . . . . B 19 DA H4' . 34157 2
191 . 2 1 7 7 DA H8 H 1 8.137 0.000 . 1 . . . . B 19 DA H8 . 34157 2
192 . 2 1 7 7 DA C1' C 13 81.060 0.000 . 1 . . . . B 19 DA C1' . 34157 2
193 . 2 1 7 7 DA C2 C 13 152.540 0.000 . 1 . . . . B 19 DA C2 . 34157 2
194 . 2 1 7 7 DA C4' C 13 82.300 0.000 . 1 . . . . B 19 DA C4' . 34157 2
195 . 2 1 7 7 DA C8 C 13 139.800 0.000 . 1 . . . . B 19 DA C8 . 34157 2
196 . 2 1 7 7 DA P P 31 -1.636 0.000 . 1 . . . . B 19 DA P . 34157 2
197 . 2 1 8 8 DC H1' H 1 5.334 0.000 . 1 . . . . B 20 DC H1' . 34157 2
198 . 2 1 8 8 DC H3' H 1 4.549 0.000 . 1 . . . . B 20 DC H3' . 34157 2
199 . 2 1 8 8 DC H4' H 1 2.330 0.004 . 1 . . . . B 20 DC H4' . 34157 2
200 . 2 1 8 8 DC H5 H 1 5.311 0.000 . 1 . . . . B 20 DC H5 . 34157 2
201 . 2 1 8 8 DC H6 H 1 6.913 0.000 . 1 . . . . B 20 DC H6 . 34157 2
202 . 2 1 8 8 DC C1' C 13 81.616 0.000 . 1 . . . . B 20 DC C1' . 34157 2
203 . 2 1 8 8 DC C3' C 13 72.993 0.000 . 1 . . . . B 20 DC C3' . 34157 2
204 . 2 1 8 8 DC C4' C 13 80.960 0.000 . 1 . . . . B 20 DC C4' . 34157 2
205 . 2 1 8 8 DC C5 C 13 96.349 0.000 . 1 . . . . B 20 DC C5 . 34157 2
206 . 2 1 8 8 DC C6 C 13 139.845 0.000 . 1 . . . . B 20 DC C6 . 34157 2
207 . 2 1 8 8 DC P P 31 -1.985 0.000 . 1 . . . . B 20 DC P . 34157 2
208 . 2 1 9 9 DA H1' H 1 5.472 0.000 . 1 . . . . B 21 DA H1' . 34157 2
209 . 2 1 9 9 DA H2 H 1 7.708 0.000 . 1 . . . . B 21 DA H2 . 34157 2
210 . 2 1 9 9 DA H3' H 1 4.640 0.000 . 1 . . . . B 21 DA H3' . 34157 2
211 . 2 1 9 9 DA H4' H 1 2.885 0.001 . 1 . . . . B 21 DA H4' . 34157 2
212 . 2 1 9 9 DA H8 H 1 8.299 0.000 . 1 . . . . B 21 DA H8 . 34157 2
213 . 2 1 9 9 DA C1' C 13 80.669 0.000 . 1 . . . . B 21 DA C1' . 34157 2
214 . 2 1 9 9 DA C2 C 13 150.938 0.000 . 1 . . . . B 21 DA C2 . 34157 2
215 . 2 1 9 9 DA C3' C 13 74.573 0.000 . 1 . . . . B 21 DA C3' . 34157 2
216 . 2 1 9 9 DA C4' C 13 82.586 0.000 . 1 . . . . B 21 DA C4' . 34157 2
217 . 2 1 9 9 DA C8 C 13 139.492 0.000 . 1 . . . . B 21 DA C8 . 34157 2
218 . 2 1 9 9 DA P P 31 -1.963 0.000 . 1 . . . . B 21 DA P . 34157 2
219 . 2 1 10 10 DT H1' H 1 5.718 0.000 . 1 . . . . B 22 DT H1' . 34157 2
220 . 2 1 10 10 DT H3' H 1 4.757 0.001 . 1 . . . . B 22 DT H3' . 34157 2
221 . 2 1 10 10 DT H4' H 1 3.738 0.004 . 1 . . . . B 22 DT H4' . 34157 2
222 . 2 1 10 10 DT H71 H 1 1.357 0.000 . 1 . . . . B 22 DT H71 . 34157 2
223 . 2 1 10 10 DT H72 H 1 1.357 0.000 . 1 . . . . B 22 DT H72 . 34157 2
224 . 2 1 10 10 DT H73 H 1 1.357 0.000 . 1 . . . . B 22 DT H73 . 34157 2
225 . 2 1 10 10 DT C1' C 13 81.476 0.000 . 1 . . . . B 22 DT C1' . 34157 2
226 . 2 1 10 10 DT C3' C 13 73.110 0.000 . 1 . . . . B 22 DT C3' . 34157 2
227 . 2 1 10 10 DT C4' C 13 82.069 0.000 . 1 . . . . B 22 DT C4' . 34157 2
228 . 2 1 10 10 DT C7 C 13 11.323 0.000 . 1 . . . . B 22 DT C7 . 34157 2
229 . 2 1 10 10 DT P P 31 -2.085 0.000 . 1 . . . . B 22 DT P . 34157 2
230 . 2 1 11 11 DC H1' H 1 5.484 0.000 . 1 . . . . B 23 DC H1' . 34157 2
231 . 2 1 11 11 DC H3' H 1 4.788 0.000 . 1 . . . . B 23 DC H3' . 34157 2
232 . 2 1 11 11 DC H4' H 1 4.114 0.000 . 1 . . . . B 23 DC H4' . 34157 2
233 . 2 1 11 11 DC H5 H 1 5.638 0.000 . 1 . . . . B 23 DC H5 . 34157 2
234 . 2 1 11 11 DC H6 H 1 7.459 0.000 . 1 . . . . B 23 DC H6 . 34157 2
235 . 2 1 11 11 DC C1' C 13 84.106 0.000 . 1 . . . . B 23 DC C1' . 34157 2
236 . 2 1 11 11 DC C3' C 13 75.137 0.000 . 1 . . . . B 23 DC C3' . 34157 2
237 . 2 1 11 11 DC C4' C 13 83.447 0.000 . 1 . . . . B 23 DC C4' . 34157 2
238 . 2 1 11 11 DC C5 C 13 96.172 0.000 . 1 . . . . B 23 DC C5 . 34157 2
239 . 2 1 11 11 DC C6 C 13 141.165 0.000 . 1 . . . . B 23 DC C6 . 34157 2
240 . 2 1 11 11 DC P P 31 -1.189 0.000 . 1 . . . . B 23 DC P . 34157 2
241 . 2 1 12 12 DG H1' H 1 6.165 0.000 . 1 . . . . B 24 DG H1' . 34157 2
242 . 2 1 12 12 DG H3' H 1 4.661 0.000 . 1 . . . . B 24 DG H3' . 34157 2
243 . 2 1 12 12 DG H4' H 1 4.162 0.000 . 1 . . . . B 24 DG H4' . 34157 2
244 . 2 1 12 12 DG H8 H 1 7.940 0.000 . 1 . . . . B 24 DG H8 . 34157 2
245 . 2 1 12 12 DG C1' C 13 82.249 0.000 . 1 . . . . B 24 DG C1' . 34157 2
246 . 2 1 12 12 DG C3' C 13 70.823 0.000 . 1 . . . . B 24 DG C3' . 34157 2
247 . 2 1 12 12 DG C4' C 13 85.332 0.000 . 1 . . . . B 24 DG C4' . 34157 2
248 . 2 1 12 12 DG C8 C 13 136.477 0.000 . 1 . . . . B 24 DG C8 . 34157 2
249 . 2 1 12 12 DG P P 31 -0.519 0.000 . 1 . . . . B 24 DG P . 34157 2
250 . 3 2 1 1 9T5 H83 H 1 8.974 0.000 . 1 . . . . A 101 9T5 H83 . 34157 2
251 . 3 2 1 1 9T5 H881 H 1 2.773 0.000 . 1 . . . . A 101 9T5 H881 . 34157 2
252 . 3 2 1 1 9T5 C83 C 13 152.473 0.000 . 1 . . . . A 101 9T5 C83 . 34157 2
253 . 3 2 1 1 9T5 CM8 C 13 12.444 0.000 . 1 . . . . A 101 9T5 CM8 . 34157 2
254 . 4 3 1 1 PYB HB1 H 1 5.995 0.000 . 1 . . . . A 102 PYB HB1 . 34157 2
255 . 4 3 1 1 PYB HB H 1 7.634 0.000 . 1 . . . . A 102 PYB HB . 34157 2
256 . 4 3 1 1 PYB HD1 H 1 3.919 0.000 . 1 . . . . A 102 PYB HD1 . 34157 2
257 . 4 3 1 1 PYB CB1 C 13 104.324 0.000 . 1 . . . . A 102 PYB CB1 . 34157 2
258 . 4 3 1 1 PYB CB C 13 121.067 0.000 . 1 . . . . A 102 PYB CB . 34157 2
259 . 4 3 1 1 PYB CD C 13 37.643 0.000 . 1 . . . . A 102 PYB CD . 34157 2
260 . 5 3 1 1 PYB HB1 H 1 6.242 0.000 . 1 . . . . A 103 PYB HB1 . 34157 2
261 . 5 3 1 1 PYB HB H 1 7.607 0.000 . 1 . . . . A 103 PYB HB . 34157 2
262 . 5 3 1 1 PYB CB1 C 13 102.787 0.000 . 1 . . . . A 103 PYB CB1 . 34157 2
263 . 5 3 1 1 PYB CB C 13 121.802 0.000 . 1 . . . . A 103 PYB CB . 34157 2
264 . 6 3 1 1 PYB HB1 H 1 6.434 0.000 . 1 . . . . A 104 PYB HB1 . 34157 2
265 . 6 3 1 1 PYB HB H 1 7.086 0.000 . 1 . . . . A 104 PYB HB . 34157 2
266 . 6 3 1 1 PYB HD1 H 1 3.540 0.000 . 1 . . . . A 104 PYB HD1 . 34157 2
267 . 6 3 1 1 PYB CB1 C 13 105.328 0.000 . 1 . . . . A 104 PYB CB1 . 34157 2
268 . 6 3 1 1 PYB CB C 13 119.101 0.000 . 1 . . . . A 104 PYB CB . 34157 2
269 . 6 3 1 1 PYB CD C 13 36.172 0.000 . 1 . . . . A 104 PYB CD . 34157 2
270 . 7 4 1 1 ABU HB1 H 1 1.556 0.000 . 1 . . . . A 105 ABU HB1 . 34157 2
271 . 7 4 1 1 ABU HB2 H 1 2.271 0.000 . 1 . . . . A 105 ABU HB2 . 34157 2
272 . 7 4 1 1 ABU CB C 13 24.964 0.017 . 1 . . . . A 105 ABU CB . 34157 2
273 . 8 5 1 1 IMT HB H 1 7.464 0.000 . 1 . . . . A 106 IMT HB . 34157 2
274 . 8 5 1 1 IMT HD1 H 1 3.948 0.000 . 1 . . . . A 106 IMT HD1 . 34157 2
275 . 8 5 1 1 IMT CB C 13 114.128 0.000 . 1 . . . . A 106 IMT CB . 34157 2
276 . 8 5 1 1 IMT CD C 13 36.416 0.000 . 1 . . . . A 106 IMT CD . 34157 2
277 . 9 3 1 1 PYB HB1 H 1 6.172 0.000 . 1 . . . . A 107 PYB HB1 . 34157 2
278 . 9 3 1 1 PYB HB H 1 7.626 0.000 . 1 . . . . A 107 PYB HB . 34157 2
279 . 9 3 1 1 PYB HD1 H 1 3.875 0.000 . 1 . . . . A 107 PYB HD1 . 34157 2
280 . 9 3 1 1 PYB CB1 C 13 104.420 0.000 . 1 . . . . A 107 PYB CB1 . 34157 2
281 . 9 3 1 1 PYB CB C 13 122.128 0.000 . 1 . . . . A 107 PYB CB . 34157 2
282 . 9 3 1 1 PYB CD C 13 37.827 0.000 . 1 . . . . A 107 PYB CD . 34157 2
283 . 10 3 1 1 PYB HB1 H 1 6.366 0.000 . 1 . . . . A 108 PYB HB1 . 34157 2
284 . 10 3 1 1 PYB HB H 1 7.526 0.000 . 1 . . . . A 108 PYB HB . 34157 2
285 . 10 3 1 1 PYB HD1 H 1 3.779 0.000 . 1 . . . . A 108 PYB HD1 . 34157 2
286 . 10 3 1 1 PYB CB1 C 13 102.733 0.000 . 1 . . . . A 108 PYB CB1 . 34157 2
287 . 10 3 1 1 PYB CB C 13 121.938 0.000 . 1 . . . . A 108 PYB CB . 34157 2
288 . 10 3 1 1 PYB CD C 13 37.248 0.000 . 1 . . . . A 108 PYB CD . 34157 2
289 . 11 3 1 1 PYB HB1 H 1 6.309 0.000 . 1 . . . . A 109 PYB HB1 . 34157 2
290 . 11 3 1 1 PYB HB H 1 7.102 0.000 . 1 . . . . A 109 PYB HB . 34157 2
291 . 11 3 1 1 PYB HD1 H 1 3.545 0.000 . 1 . . . . A 109 PYB HD1 . 34157 2
292 . 11 3 1 1 PYB CB1 C 13 106.432 0.000 . 1 . . . . A 109 PYB CB1 . 34157 2
293 . 11 3 1 1 PYB CB C 13 120.230 0.000 . 1 . . . . A 109 PYB CB . 34157 2
294 . 11 3 1 1 PYB CD C 13 36.291 0.000 . 1 . . . . A 109 PYB CD . 34157 2
295 . 12 6 1 1 9T8 H031 H 1 3.141 0.000 . 1 . . . . A 110 9T8 H031 . 34157 2
296 . 12 6 1 1 9T8 H032 H 1 3.171 0.000 . 1 . . . . A 110 9T8 H032 . 34157 2
297 . 12 6 1 1 9T8 H041 H 1 1.942 0.000 . 1 . . . . A 110 9T8 H041 . 34157 2
298 . 12 6 1 1 9T8 H042 H 1 2.144 0.000 . 1 . . . . A 110 9T8 H042 . 34157 2
299 . 12 6 1 1 9T8 C03 C 13 55.376 0.009 . 1 . . . . A 110 9T8 C03 . 34157 2
300 . 12 6 1 1 9T8 C04 C 13 24.155 0.000 . 1 . . . . A 110 9T8 C04 . 34157 2
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