NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
545494 |
2lg2   |
17790 | cing | 4-filtered-FRED | STAR | entry | full | 177 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2lg2
# This FRED archive file contains, for PDB entry <2lg2>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.PDB_coordinate_file_version .
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_2lg2
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2lg2
_Assembly.Number_of_components 3
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 7441.83
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 . 1 $DNA__5__D__GP_CP_TP_AP_GP_CP_GP_AP_GP_TP_CP_C__3__ A . 1 1
2 . 2 $DNA__5__D__GP_GP_AP_CP_TP_TP_GP_CP_TP_AP_GP_C__3__ B . 1 1
3 . 3 $_2R_5S__5_PENTYLTETRAHYDROFURAN_2_OL C . 1 1
stop_
loop_
_PDBX_nonpoly_scheme.Entity_assembly_ID
_PDBX_nonpoly_scheme.Entity_ID
_PDBX_nonpoly_scheme.Mon_ID
_PDBX_nonpoly_scheme.Comp_index_ID
_PDBX_nonpoly_scheme.Comp_ID
_PDBX_nonpoly_scheme.Entry_ID
_PDBX_nonpoly_scheme.Assembly_ID
3 3 . 1 . 1 1
stop_
save_
save_DNA__5__D__GP_CP_TP_AP_GP_CP_GP_AP_GP_TP_CP_C__3__
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "DNA 5 D GP CP TP AP GP CP GP AP GP TP CP C 3 "
_Entity.Type polymer
_Entity.Polymer_type polydeoxyribonucleotide
_Entity.Polymer_seq_one_letter_code GCTAGCGAGTCC
_Entity.Number_of_monomers 12
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 DG . 1 1
2 DC . 1 1
3 DT . 1 1
4 DA . 1 1
5 DG . 1 1
6 DC . 1 1
7 DG . 1 1
8 DA . 1 1
9 DG . 1 1
10 DT . 1 1
11 DC . 1 1
12 DC . 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
DG 1 1 1 1
DC 2 2 1 1
DT 3 3 1 1
DA 4 4 1 1
DG 5 5 1 1
DC 6 6 1 1
DG 7 7 1 1
DA 8 8 1 1
DG 9 9 1 1
DT 10 10 1 1
DC 11 11 1 1
DC 12 12 1 1
stop_
save_
save_DNA__5__D__GP_GP_AP_CP_TP_TP_GP_CP_TP_AP_GP_C__3__
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "DNA 5 D GP GP AP CP TP TP GP CP TP AP GP C 3 "
_Entity.Type polymer
_Entity.Polymer_type polydeoxyribonucleotide
_Entity.Polymer_seq_one_letter_code GGACTTGCTAGC
_Entity.Number_of_monomers 12
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 DG . 1 2
2 DG . 1 2
3 DA . 1 2
4 DC . 1 2
5 DT . 1 2
6 DT . 1 2
7 DG . 1 2
8 DC . 1 2
9 DT . 1 2
10 DA . 1 2
11 DG . 1 2
12 DC . 1 2
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
DG 1 1 1 2
DG 2 2 1 2
DA 3 3 1 2
DC 4 4 1 2
DT 5 5 1 2
DT 6 6 1 2
DG 7 7 1 2
DC 8 8 1 2
DT 9 9 1 2
DA 10 10 1 2
DG 11 11 1 2
DC 12 12 1 2
stop_
save_
save__2R_5S__5_PENTYLTETRAHYDROFURAN_2_OL
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 3
_Entity.Name " 2R 5S 5 PENTYLTETRAHYDROFURAN 2 OL"
_Entity.Type non-polymer
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . $. 1 3
stop_
save_
save_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_Chem_comp.Type non-polymer
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 1 . . . 1 1
96 1 . . . 1 1
97 1 . . . 1 1
98 1 . . . 1 1
99 1 . . . 1 1
100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
106 1 . . . 1 1
107 1 . . . 1 1
108 1 . . . 1 1
109 1 . . . 1 1
110 1 . . . 1 1
111 1 . . . 1 1
112 1 . . . 1 1
113 1 . . . 1 1
114 1 . . . 1 1
115 1 . . . 1 1
116 1 . . . 1 1
117 1 . . . 1 1
118 1 . . . 1 1
119 1 . . . 1 1
120 1 . . . 1 1
121 1 . . . 1 1
122 1 . . . 1 1
123 1 . . . 1 1
124 1 . . . 1 1
125 1 . . . 1 1
126 1 . . . 1 1
127 1 . . . 1 1
128 1 . . . 1 1
129 1 . . . 1 1
130 1 . . . 1 1
131 1 . . . 1 1
132 1 . . . 1 1
133 1 . . . 1 1
134 1 . . . 1 1
135 1 . . . 1 1
136 1 . . . 1 1
137 1 . . . 1 1
138 1 . . . 1 1
139 1 . . . 1 1
140 1 . . . 1 1
141 1 . . . 1 1
142 1 . . . 1 1
143 1 . . . 1 1
144 1 . . . 1 1
145 1 . . . 1 1
146 1 . . . 1 1
147 1 . . . 1 1
148 1 . . . 1 1
149 1 . . . 1 1
150 1 . . . 1 1
151 1 . . . 1 1
152 1 . . . 1 1
153 1 . . . 1 1
154 1 . . . 1 1
155 1 . . . 1 1
156 1 . . . 1 1
157 1 . . . 1 1
158 1 . . . 1 1
159 1 . . . 1 1
160 1 . . . 1 1
161 1 . . . 1 1
162 1 . . . 1 1
163 1 . . . 1 1
164 1 . . . 1 1
165 1 . . . 1 1
166 1 . . . 1 1
167 1 . . . 1 1
168 1 . . . 1 1
169 1 . . . 1 1
170 1 . . . 1 1
171 1 . . . 1 1
172 1 . . . 1 1
173 1 . . . 1 1
174 1 . . . 1 1
175 1 . . . 1 1
176 1 . . . 1 1
177 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 DG H1' . 1 DG H1' 1 1
1 1 2 1 1 1 DG Q2' . 1 DG H2'1 1 1
2 1 1 1 1 1 DG H1' . 1 DG H1' 1 1
2 1 2 1 1 1 DG H3' . 1 DG H3' 1 1
3 1 1 1 1 1 DG H1' . 1 DG H1' 1 1
3 1 2 1 1 1 DG H8 . 1 DG H8 1 1
4 1 1 1 1 1 DG H1' . 1 DG H1' 1 1
4 1 2 1 1 2 DC H5 . 2 DC H5 1 1
5 1 1 1 1 1 DG H1' . 1 DG H1' 1 1
5 1 2 1 1 2 DC H6 . 2 DC H6 1 1
6 1 1 1 1 1 DG Q2' . 1 DG H2'1 1 1
6 1 2 1 1 1 DG H3' . 1 DG H3' 1 1
7 1 1 1 1 1 DG Q2' . 1 DG H2'1 1 1
7 1 2 1 1 1 DG H8 . 1 DG H8 1 1
8 1 1 1 1 1 DG Q2' . 1 DG H2'1 1 1
8 1 2 1 1 2 DC H5 . 2 DC H5 1 1
9 1 1 1 1 1 DG Q2' . 1 DG H2'1 1 1
9 1 2 1 1 2 DC H6 . 2 DC H6 1 1
10 1 1 1 1 1 DG H8 . 1 DG H8 1 1
10 1 2 1 1 2 DC H5 . 2 DC H5 1 1
11 1 1 1 1 2 DC H1' . 2 DC H1' 1 1
11 1 2 1 1 2 DC H6 . 2 DC H6 1 1
12 1 1 1 1 2 DC H1' . 2 DC H1' 1 1
12 1 2 1 1 3 DT H6 . 3 DT H6 1 1
13 1 1 1 1 2 DC H1' . 2 DC H1' 1 1
13 1 2 1 1 3 DT M7 . 3 DT M7 1 1
14 1 1 1 1 2 DC Q2' . 2 DC H2'1 1 1
14 1 2 1 1 2 DC H3' . 2 DC H3' 1 1
15 1 1 1 1 2 DC Q2' . 2 DC H2'1 1 1
15 1 2 1 1 2 DC H6 . 2 DC H6 1 1
16 1 1 1 1 2 DC Q2' . 2 DC H2'2 1 1
16 1 2 1 1 3 DT M7 . 3 DT M7 1 1
17 1 1 1 1 2 DC H3' . 2 DC H3' 1 1
17 1 2 1 1 2 DC H6 . 2 DC H6 1 1
18 1 1 1 1 2 DC H3' . 2 DC H3' 1 1
18 1 2 1 1 3 DT M7 . 3 DT M7 1 1
19 1 1 1 1 2 DC H5 . 2 DC H5 1 1
19 1 2 1 1 3 DT M7 . 3 DT M7 1 1
20 1 1 1 1 2 DC H6 . 2 DC H6 1 1
20 1 2 1 1 3 DT M7 . 3 DT M7 1 1
21 1 1 1 1 3 DT H1' . 3 DT H1' 1 1
21 1 2 1 1 3 DT Q2' . 3 DT H2'1 1 1
22 1 1 1 1 3 DT H1' . 3 DT H1' 1 1
22 1 2 1 1 3 DT H3' . 3 DT H3' 1 1
23 1 1 1 1 3 DT H1' . 3 DT H1' 1 1
23 1 2 1 1 3 DT H6 . 3 DT H6 1 1
24 1 1 1 1 3 DT H1' . 3 DT H1' 1 1
24 1 2 1 1 4 DA H8 . 4 DA H8 1 1
25 1 1 1 1 3 DT Q2' . 3 DT H2'1 1 1
25 1 2 1 1 4 DA H8 . 4 DA H8 1 1
26 1 1 1 1 3 DT H3' . 3 DT H3' 1 1
26 1 2 1 1 4 DA H8 . 4 DA H8 1 1
27 1 1 1 1 3 DT H6 . 3 DT H6 1 1
27 1 2 1 1 4 DA H8 . 4 DA H8 1 1
28 1 1 1 1 4 DA H1' . 4 DA H1' 1 1
28 1 2 1 1 4 DA H8 . 4 DA H8 1 1
29 1 1 1 1 4 DA H1' . 4 DA H1' 1 1
29 1 2 1 1 5 DG H8 . 5 DG H8 1 1
30 1 1 1 1 4 DA H1' . 4 DA H1' 1 1
30 1 2 2 2 10 DA H2 . 22 DA H2 1 1
31 1 1 1 1 4 DA Q2' . 4 DA H2'1 1 1
31 1 2 1 1 4 DA H8 . 4 DA H8 1 1
32 1 1 1 1 4 DA Q2' . 4 DA H2'2 1 1
32 1 2 1 1 5 DG H8 . 5 DG H8 1 1
33 1 1 1 1 4 DA H3' . 4 DA H3' 1 1
33 1 2 1 1 4 DA H8 . 4 DA H8 1 1
34 1 1 1 1 4 DA H3' . 4 DA H3' 1 1
34 1 2 1 1 5 DG H8 . 5 DG H8 1 1
35 1 1 1 1 4 DA H8 . 4 DA H8 1 1
35 1 2 1 1 5 DG H8 . 5 DG H8 1 1
36 1 1 1 1 5 DG H1' . 5 DG H1' 1 1
36 1 2 1 1 5 DG Q2' . 5 DG H2'1 1 1
37 1 1 1 1 5 DG H1' . 5 DG H1' 1 1
37 1 2 1 1 5 DG H8 . 5 DG H8 1 1
38 1 1 1 1 5 DG H1' . 5 DG H1' 1 1
38 1 2 1 1 6 DC H5 . 6 DC H5 1 1
39 1 1 1 1 5 DG H1' . 5 DG H1' 1 1
39 1 2 1 1 6 DC H6 . 6 DC H6 1 1
40 1 1 1 1 5 DG Q2' . 5 DG H2'1 1 1
40 1 2 1 1 5 DG H8 . 5 DG H8 1 1
41 1 1 1 1 5 DG Q2' . 5 DG H2'1 1 1
41 1 2 1 1 6 DC H5 . 6 DC H5 1 1
42 1 1 1 1 5 DG H3' . 5 DG H3' 1 1
42 1 2 1 1 5 DG H8 . 5 DG H8 1 1
43 1 1 1 1 5 DG H3' . 5 DG H3' 1 1
43 1 2 1 1 6 DC H6 . 6 DC H6 1 1
44 1 1 1 1 5 DG H8 . 5 DG H8 1 1
44 1 2 1 1 6 DC H5 . 6 DC H5 1 1
45 1 1 1 1 6 DC H1' . 6 DC H1' 1 1
45 1 2 1 1 6 DC Q2' . 6 DC H2'2 1 1
46 1 1 1 1 6 DC H1' . 6 DC H1' 1 1
46 1 2 1 1 7 DG H8 . 7 DG H8 1 1
47 1 1 1 1 6 DC Q2' . 6 DC H2'1 1 1
47 1 2 1 1 6 DC H5 . 6 DC H5 1 1
48 1 1 1 1 6 DC Q2' . 6 DC H2'2 1 1
48 1 2 1 1 6 DC H6 . 6 DC H6 1 1
49 1 1 1 1 6 DC Q2' . 6 DC H2'1 1 1
49 1 2 1 1 7 DG H8 . 7 DG H8 1 1
50 1 1 1 1 6 DC H6 . 6 DC H6 1 1
50 1 2 1 1 7 DG H8 . 7 DG H8 1 1
51 1 1 1 1 7 DG H1' . 7 DG H1' 1 1
51 1 2 1 1 7 DG Q2' . 7 DG H2'1 1 1
52 1 1 1 1 7 DG H1' . 7 DG H1' 1 1
52 1 2 1 1 7 DG H8 . 7 DG H8 1 1
53 1 1 1 1 7 DG Q2' . 7 DG H2'1 1 1
53 1 2 1 1 7 DG H3' . 7 DG H3' 1 1
54 1 1 1 1 7 DG Q2' . 7 DG H2'1 1 1
54 1 2 1 1 7 DG H8 . 7 DG H8 1 1
55 1 1 1 1 7 DG Q2' . 7 DG H2'2 1 1
55 1 2 1 1 8 DA H8 . 8 DA H8 1 1
56 1 1 1 1 7 DG H3' . 7 DG H3' 1 1
56 1 2 1 1 7 DG H8 . 7 DG H8 1 1
57 1 1 1 1 7 DG H8 . 7 DG H8 1 1
57 1 2 1 1 8 DA H8 . 8 DA H8 1 1
58 1 1 1 1 8 DA H1' . 8 DA H1' 1 1
58 1 2 1 1 8 DA H2' . 8 DA H2'1 1 1
59 1 1 1 1 8 DA H1' . 8 DA H1' 1 1
59 1 2 1 1 8 DA H3' . 8 DA H3' 1 1
60 1 1 1 1 8 DA H1' . 8 DA H1' 1 1
60 1 2 1 1 9 DG H8 . 9 DG H8 1 1
61 1 1 1 1 8 DA H2 . 8 DA H2 1 1
61 1 2 1 1 9 DG H1' . 9 DG H1' 1 1
62 1 1 1 1 8 DA H2 . 8 DA H2 1 1
62 1 2 2 2 6 DT H1' . 18 DT H1' 1 1
63 1 1 1 1 8 DA H2'' . 8 DA H2'2 1 1
63 1 2 1 1 9 DG H8 . 9 DG H8 1 1
64 1 1 1 1 8 DA H3' . 8 DA H3' 1 1
64 1 2 1 1 8 DA H8 . 8 DA H8 1 1
65 1 1 1 1 9 DG H1' . 9 DG H1' 1 1
65 1 2 1 1 9 DG H2' . 9 DG H2'1 1 1
66 1 1 1 1 9 DG H1' . 9 DG H1' 1 1
66 1 2 1 1 10 DT M7 . 10 DT M7 1 1
67 1 1 1 1 9 DG H2' . 9 DG H2'1 1 1
67 1 2 1 1 10 DT M7 . 10 DT M7 1 1
68 1 1 1 1 9 DG H2'' . 9 DG H2'2 1 1
68 1 2 1 1 10 DT H6 . 10 DT H6 1 1
69 1 1 1 1 9 DG H3' . 9 DG H3' 1 1
69 1 2 1 1 10 DT M7 . 10 DT M7 1 1
70 1 1 1 1 9 DG H8 . 9 DG H8 1 1
70 1 2 1 1 10 DT M7 . 10 DT M7 1 1
71 1 1 1 1 10 DT H1' . 10 DT H1' 1 1
71 1 2 1 1 10 DT H6 . 10 DT H6 1 1
72 1 1 1 1 10 DT Q2' . 10 DT H2'1 1 1
72 1 2 1 1 10 DT H6 . 10 DT H6 1 1
73 1 1 1 1 10 DT Q2' . 10 DT H2'1 1 1
73 1 2 1 1 11 DC H5 . 11 DC H5 1 1
74 1 1 1 1 10 DT Q2' . 10 DT H2'1 1 1
74 1 2 1 1 11 DC H6 . 11 DC H6 1 1
75 1 1 1 1 10 DT H3' . 10 DT H3' 1 1
75 1 2 1 1 10 DT H6 . 10 DT H6 1 1
76 1 1 1 1 10 DT H6 . 10 DT H6 1 1
76 1 2 1 1 10 DT M7 . 10 DT M7 1 1
77 1 1 1 1 10 DT H6 . 10 DT H6 1 1
77 1 2 1 1 11 DC H5 . 11 DC H5 1 1
78 1 1 1 1 10 DT M7 . 10 DT M7 1 1
78 1 2 1 1 11 DC H5 . 11 DC H5 1 1
79 1 1 1 1 11 DC H1' . 11 DC H1' 1 1
79 1 2 1 1 11 DC Q2' . 11 DC H2'1 1 1
80 1 1 1 1 11 DC H1' . 11 DC H1' 1 1
80 1 2 1 1 12 DC H6 . 12 DC H6 1 1
81 1 1 1 1 11 DC H1' . 11 DC H1' 1 1
81 1 2 2 2 3 DA H2 . 15 DA H2 1 1
82 1 1 1 1 11 DC Q2' . 11 DC H2'1 1 1
82 1 2 1 1 11 DC H3' . 11 DC H3' 1 1
83 1 1 1 1 11 DC Q2' . 11 DC H2'1 1 1
83 1 2 1 1 11 DC H5 . 11 DC H5 1 1
84 1 1 1 1 11 DC Q2' . 11 DC H2'1 1 1
84 1 2 1 1 12 DC H6 . 12 DC H6 1 1
85 1 1 1 1 11 DC H3' . 11 DC H3' 1 1
85 1 2 1 1 12 DC H5 . 12 DC H5 1 1
86 1 1 1 1 11 DC H3' . 11 DC H3' 1 1
86 1 2 1 1 12 DC H6 . 12 DC H6 1 1
87 1 1 1 1 12 DC H1' . 12 DC H1' 1 1
87 1 2 1 1 12 DC Q2' . 12 DC Q2' 1 1
88 1 1 1 1 12 DC H1' . 12 DC H1' 1 1
88 1 2 1 1 12 DC H3' . 12 DC H3' 1 1
89 1 1 1 1 12 DC H1' . 12 DC H1' 1 1
89 1 2 1 1 12 DC H6 . 12 DC H6 1 1
90 1 1 1 1 12 DC Q2' . 12 DC Q2' 1 1
90 1 2 1 1 12 DC H3' . 12 DC H3' 1 1
91 1 1 1 1 12 DC Q2' . 12 DC Q2' 1 1
91 1 2 1 1 12 DC H6 . 12 DC H6 1 1
92 1 1 1 1 12 DC H3' . 12 DC H3' 1 1
92 1 2 1 1 12 DC H5 . 12 DC H5 1 1
93 1 1 1 1 12 DC H3' . 12 DC H3' 1 1
93 1 2 1 1 12 DC H6 . 12 DC H6 1 1
94 1 1 2 2 1 DG H1' . 13 DG H1' 1 1
94 1 2 2 2 1 DG H2'' . 13 DG H2'2 1 1
95 1 1 2 2 1 DG H1' . 13 DG H1' 1 1
95 1 2 2 2 1 DG H3' . 13 DG H3' 1 1
96 1 1 2 2 1 DG H1' . 13 DG H1' 1 1
96 1 2 2 2 1 DG H8 . 13 DG H8 1 1
97 1 1 2 2 1 DG H2' . 13 DG H2'1 1 1
97 1 2 2 2 1 DG H3' . 13 DG H3' 1 1
98 1 1 2 2 1 DG H3' . 13 DG H3' 1 1
98 1 2 2 2 1 DG H8 . 13 DG H8 1 1
99 1 1 2 2 2 DG H1' . 14 DG H1' 1 1
99 1 2 2 2 2 DG Q2' . 14 DG H2'1 1 1
100 1 1 2 2 2 DG H1' . 14 DG H1' 1 1
100 1 2 2 2 2 DG H3' . 14 DG H3' 1 1
101 1 1 2 2 2 DG H1' . 14 DG H1' 1 1
101 1 2 2 2 2 DG H8 . 14 DG H8 1 1
102 1 1 2 2 2 DG Q2' . 14 DG H2'1 1 1
102 1 2 2 2 2 DG H8 . 14 DG H8 1 1
103 1 1 2 2 2 DG H8 . 14 DG H8 1 1
103 1 2 2 2 3 DA H8 . 15 DA H8 1 1
104 1 1 2 2 3 DA H1' . 15 DA H1' 1 1
104 1 2 2 2 3 DA H2 . 15 DA H2 1 1
105 1 1 2 2 3 DA H1' . 15 DA H1' 1 1
105 1 2 2 2 3 DA Q2' . 15 DA H2'1 1 1
106 1 1 2 2 3 DA H1' . 15 DA H1' 1 1
106 1 2 2 2 3 DA H3' . 15 DA H3' 1 1
107 1 1 2 2 3 DA H1' . 15 DA H1' 1 1
107 1 2 2 2 3 DA H8 . 15 DA H8 1 1
108 1 1 2 2 3 DA H1' . 15 DA H1' 1 1
108 1 2 2 2 4 DC H5 . 16 DC H5 1 1
109 1 1 2 2 3 DA H1' . 15 DA H1' 1 1
109 1 2 2 2 4 DC H6 . 16 DC H6 1 1
110 1 1 2 2 3 DA H2 . 15 DA H2 1 1
110 1 2 2 2 4 DC H1' . 16 DC H1' 1 1
111 1 1 2 2 3 DA Q2' . 15 DA H2'1 1 1
111 1 2 2 2 4 DC H5 . 16 DC H5 1 1
112 1 1 2 2 3 DA Q2' . 15 DA H2'1 1 1
112 1 2 2 2 4 DC H6 . 16 DC H6 1 1
113 1 1 2 2 4 DC H1' . 16 DC H1' 1 1
113 1 2 2 2 4 DC H2' . 16 DC H2'1 1 1
114 1 1 2 2 4 DC H1' . 16 DC H1' 1 1
114 1 2 2 2 5 DT H6 . 17 DT H6 1 1
115 1 1 2 2 4 DC H1' . 16 DC H1' 1 1
115 1 2 2 2 5 DT M7 . 17 DT M7 1 1
116 1 1 2 2 4 DC H2' . 16 DC H2'1 1 1
116 1 2 2 2 4 DC H6 . 16 DC H6 1 1
117 1 1 2 2 4 DC H2'' . 16 DC H2'2 1 1
117 1 2 2 2 5 DT H6 . 17 DT H6 1 1
118 1 1 2 2 4 DC H2'' . 16 DC H2'2 1 1
118 1 2 2 2 5 DT M7 . 17 DT M7 1 1
119 1 1 2 2 4 DC H5 . 16 DC H5 1 1
119 1 2 2 2 5 DT M7 . 17 DT M7 1 1
120 1 1 2 2 4 DC H6 . 16 DC H6 1 1
120 1 2 2 2 5 DT M7 . 17 DT M7 1 1
121 1 1 2 2 5 DT H1' . 17 DT H1' 1 1
121 1 2 2 2 5 DT Q2' . 17 DT H2'1 1 1
122 1 1 2 2 5 DT H1' . 17 DT H1' 1 1
122 1 2 2 2 6 DT M7 . 18 DT M7 1 1
123 1 1 2 2 5 DT Q2' . 17 DT H2'1 1 1
123 1 2 2 2 5 DT H3' . 17 DT H3' 1 1
124 1 1 2 2 5 DT Q2' . 17 DT H2'1 1 1
124 1 2 2 2 5 DT M7 . 17 DT M7 1 1
125 1 1 2 2 5 DT H3' . 17 DT H3' 1 1
125 1 2 2 2 6 DT M7 . 18 DT M7 1 1
126 1 1 2 2 5 DT H6 . 17 DT H6 1 1
126 1 2 2 2 5 DT M7 . 17 DT M7 1 1
127 1 1 2 2 6 DT H1' . 18 DT H1' 1 1
127 1 2 2 2 6 DT Q2' . 18 DT H2'1 1 1
128 1 1 2 2 6 DT H1' . 18 DT H1' 1 1
128 1 2 2 2 6 DT H3' . 18 DT H3' 1 1
129 1 1 2 2 6 DT H1' . 18 DT H1' 1 1
129 1 2 2 2 6 DT H6 . 18 DT H6 1 1
130 1 1 2 2 6 DT H1' . 18 DT H1' 1 1
130 1 2 2 2 7 DG H8 . 19 DG H8 1 1
131 1 1 2 2 6 DT Q2' . 18 DT H2'2 1 1
131 1 2 2 2 6 DT H6 . 18 DT H6 1 1
132 1 1 2 2 6 DT Q2' . 18 DT H2'1 1 1
132 1 2 2 2 7 DG H8 . 19 DG H8 1 1
133 1 1 2 2 6 DT H3' . 18 DT H3' 1 1
133 1 2 2 2 7 DG H8 . 19 DG H8 1 1
134 1 1 2 2 6 DT H6 . 18 DT H6 1 1
134 1 2 2 2 6 DT M7 . 18 DT M7 1 1
135 1 1 2 2 6 DT H6 . 18 DT H6 1 1
135 1 2 2 2 7 DG H8 . 19 DG H8 1 1
136 1 1 2 2 7 DG H1' . 19 DG H1' 1 1
136 1 2 2 2 7 DG Q2' . 19 DG H2'2 1 1
137 1 1 2 2 7 DG H1' . 19 DG H1' 1 1
137 1 2 2 2 7 DG H3' . 19 DG H3' 1 1
138 1 1 2 2 7 DG H1' . 19 DG H1' 1 1
138 1 2 2 2 7 DG H8 . 19 DG H8 1 1
139 1 1 2 2 7 DG H1' . 19 DG H1' 1 1
139 1 2 2 2 8 DC H5 . 20 DC H5 1 1
140 1 1 2 2 7 DG Q2' . 19 DG H2'1 1 1
140 1 2 2 2 7 DG H3' . 19 DG H3' 1 1
141 1 1 2 2 7 DG Q2' . 19 DG H2'1 1 1
141 1 2 2 2 7 DG H8 . 19 DG H8 1 1
142 1 1 2 2 7 DG Q2' . 19 DG H2'1 1 1
142 1 2 2 2 8 DC H5 . 20 DC H5 1 1
143 1 1 2 2 7 DG Q2' . 19 DG H2'1 1 1
143 1 2 2 2 8 DC H6 . 20 DC H6 1 1
144 1 1 2 2 7 DG H3' . 19 DG H3' 1 1
144 1 2 2 2 7 DG H8 . 19 DG H8 1 1
145 1 1 2 2 7 DG H3' . 19 DG H3' 1 1
145 1 2 2 2 8 DC H6 . 20 DC H6 1 1
146 1 1 2 2 7 DG H8 . 19 DG H8 1 1
146 1 2 2 2 8 DC H5 . 20 DC H5 1 1
147 1 1 2 2 7 DG H8 . 19 DG H8 1 1
147 1 2 2 2 8 DC H6 . 20 DC H6 1 1
148 1 1 2 2 8 DC H1' . 20 DC H1' 1 1
148 1 2 2 2 8 DC Q2' . 20 DC H2'1 1 1
149 1 1 2 2 8 DC H1' . 20 DC H1' 1 1
149 1 2 2 2 8 DC H3' . 20 DC H3' 1 1
150 1 1 2 2 8 DC H1' . 20 DC H1' 1 1
150 1 2 2 2 9 DT H1' . 21 DT H1' 1 1
151 1 1 2 2 8 DC H1' . 20 DC H1' 1 1
151 1 2 2 2 9 DT M7 . 21 DT M7 1 1
152 1 1 2 2 8 DC Q2' . 20 DC H2'1 1 1
152 1 2 2 2 8 DC H3' . 20 DC H3' 1 1
153 1 1 2 2 8 DC Q2' . 20 DC H2'1 1 1
153 1 2 2 2 8 DC H5 . 20 DC H5 1 1
154 1 1 2 2 8 DC Q2' . 20 DC H2'1 1 1
154 1 2 2 2 8 DC H6 . 20 DC H6 1 1
155 1 1 2 2 8 DC Q2' . 20 DC H2'1 1 1
155 1 2 2 2 9 DT M7 . 21 DT M7 1 1
156 1 1 2 2 8 DC H3' . 20 DC H3' 1 1
156 1 2 2 2 8 DC H6 . 20 DC H6 1 1
157 1 1 2 2 8 DC H3' . 20 DC H3' 1 1
157 1 2 2 2 9 DT H6 . 21 DT H6 1 1
158 1 1 2 2 8 DC H5 . 20 DC H5 1 1
158 1 2 2 2 9 DT M7 . 21 DT M7 1 1
159 1 1 2 2 8 DC H6 . 20 DC H6 1 1
159 1 2 2 2 9 DT M7 . 21 DT M7 1 1
160 1 1 2 2 9 DT H1' . 21 DT H1' 1 1
160 1 2 2 2 9 DT Q2' . 21 DT H2'1 1 1
161 1 1 2 2 9 DT H1' . 21 DT H1' 1 1
161 1 2 2 2 9 DT H3' . 21 DT H3' 1 1
162 1 1 2 2 9 DT H1' . 21 DT H1' 1 1
162 1 2 2 2 9 DT H6 . 21 DT H6 1 1
163 1 1 2 2 9 DT Q2' . 21 DT H2'1 1 1
163 1 2 2 2 10 DA H8 . 22 DA H8 1 1
164 1 1 2 2 9 DT H3' . 21 DT H3' 1 1
164 1 2 2 2 10 DA H8 . 22 DA H8 1 1
165 1 1 2 2 11 DG H1' . 23 DG H1' 1 1
165 1 2 2 2 11 DG H3' . 23 DG H3' 1 1
166 1 1 2 2 11 DG H1' . 23 DG H1' 1 1
166 1 2 2 2 11 DG H8 . 23 DG H8 1 1
167 1 1 2 2 11 DG H1' . 23 DG H1' 1 1
167 1 2 2 2 12 DC H5 . 24 DC H5 1 1
168 1 1 2 2 11 DG H2' . 23 DG H2'1 1 1
168 1 2 2 2 12 DC H5 . 24 DC H5 1 1
169 1 1 2 2 11 DG H2'' . 23 DG H2'2 1 1
169 1 2 2 2 12 DC H5 . 24 DC H5 1 1
170 1 1 2 2 11 DG H8 . 23 DG H8 1 1
170 1 2 2 2 12 DC H5 . 24 DC H5 1 1
171 1 1 2 2 12 DC H1' . 24 DC H1' 1 1
171 1 2 2 2 12 DC H2' . 24 DC H2'1 1 1
172 1 1 2 2 12 DC H1' . 24 DC H1' 1 1
172 1 2 2 2 12 DC H2'' . 24 DC H2'2 1 1
173 1 1 2 2 12 DC H1' . 24 DC H1' 1 1
173 1 2 2 2 12 DC H3' . 24 DC H3' 1 1
174 1 1 2 2 12 DC H1' . 24 DC H1' 1 1
174 1 2 2 2 12 DC H6 . 24 DC H6 1 1
175 1 1 2 2 12 DC H2' . 24 DC H2'1 1 1
175 1 2 2 2 12 DC H3' . 24 DC H3' 1 1
176 1 1 2 2 12 DC H2'' . 24 DC H2'2 1 1
176 1 2 2 2 12 DC H3' . 24 DC H3' 1 1
177 1 1 2 2 12 DC H3' . 24 DC H3' 1 1
177 1 2 2 2 12 DC H6 . 24 DC H6 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 2.14 1 1
2 1 . . . . . . . 3.5 1 1
3 1 . . . . . . . 3.0 1 1
4 1 . . . . . . . 4.1 1 1
5 1 . . . . . . . 2.82 1 1
6 1 . . . . . . . 2.12 1 1
7 1 . . . . . . . 2.21 1 1
8 1 . . . . . . . 2.65 1 1
9 1 . . . . . . . 2.48 1 1
10 1 . . . . . . . 4.33 1 1
11 1 . . . . . . . 2.87 1 1
12 1 . . . . . . . 3.3 1 1
13 1 . . . . . . . 3.89 1 1
14 1 . . . . . . . 1.9 1 1
15 1 . . . . . . . 2.42 1 1
16 1 . . . . . . . 3.53 1 1
17 1 . . . . . . . 2.77 1 1
18 1 . . . . . . . 3.62 1 1
19 1 . . . . . . . 3.13 1 1
20 1 . . . . . . . 2.81 1 1
21 1 . . . . . . . 2.13 1 1
22 1 . . . . . . . 3.32 1 1
23 1 . . . . . . . 3.0 1 1
24 1 . . . . . . . 3.5 1 1
25 1 . . . . . . . 3.21 1 1
26 1 . . . . . . . 4.32 1 1
27 1 . . . . . . . 4.31 1 1
28 1 . . . . . . . 2.38 1 1
29 1 . . . . . . . 3.5 1 1
30 1 . . . . . . . 4.71 1 1
31 1 . . . . . . . 1.96 1 1
32 1 . . . . . . . 3.0 1 1
33 1 . . . . . . . 3.5 1 1
34 1 . . . . . . . 3.55 1 1
35 1 . . . . . . . 4.5 1 1
36 1 . . . . . . . 2.0 1 1
37 1 . . . . . . . 2.85 1 1
38 1 . . . . . . . 3.7 1 1
39 1 . . . . . . . 3.05 1 1
40 1 . . . . . . . 2.24 1 1
41 1 . . . . . . . 2.68 1 1
42 1 . . . . . . . 3.7 1 1
43 1 . . . . . . . 3.91 1 1
44 1 . . . . . . . 3.72 1 1
45 1 . . . . . . . 2.31 1 1
46 1 . . . . . . . 3.39 1 1
47 1 . . . . . . . 2.8 1 1
48 1 . . . . . . . 3.0 1 1
49 1 . . . . . . . 2.75 1 1
50 1 . . . . . . . 4.75 1 1
51 1 . . . . . . . 2.36 1 1
52 1 . . . . . . . 3.51 1 1
53 1 . . . . . . . 2.03 1 1
54 1 . . . . . . . 2.08 1 1
55 1 . . . . . . . 2.57 1 1
56 1 . . . . . . . 3.53 1 1
57 1 . . . . . . . 3.55 1 1
58 1 . . . . . . . 2.69 1 1
59 1 . . . . . . . 3.28 1 1
60 1 . . . . . . . 3.63 1 1
61 1 . . . . . . . 4.37 1 1
62 1 . . . . . . . 3.37 1 1
63 1 . . . . . . . 2.26 1 1
64 1 . . . . . . . 3.28 1 1
65 1 . . . . . . . 2.74 1 1
66 1 . . . . . . . 4.15 1 1
67 1 . . . . . . . 3.09 1 1
68 1 . . . . . . . 2.9 1 1
69 1 . . . . . . . 2.49 1 1
70 1 . . . . . . . 2.5 1 1
71 1 . . . . . . . 2.99 1 1
72 1 . . . . . . . 2.09 1 1
73 1 . . . . . . . 2.19 1 1
74 1 . . . . . . . 1.78 1 1
75 1 . . . . . . . 3.14 1 1
76 1 . . . . . . . 2.45 1 1
77 1 . . . . . . . 3.33 1 1
78 1 . . . . . . . 3.34 1 1
79 1 . . . . . . . 2.14 1 1
80 1 . . . . . . . 4.0 1 1
81 1 . . . . . . . 3.68 1 1
82 1 . . . . . . . 2.18 1 1
83 1 . . . . . . . 3.5 1 1
84 1 . . . . . . . 3.11 1 1
85 1 . . . . . . . 5.5 1 1
86 1 . . . . . . . 3.42 1 1
87 1 . . . . . . . 2.33 1 1
88 1 . . . . . . . 3.96 1 1
89 1 . . . . . . . 3.79 1 1
90 1 . . . . . . . 2.4 1 1
91 1 . . . . . . . 2.91 1 1
92 1 . . . . . . . 4.49 1 1
93 1 . . . . . . . 2.66 1 1
94 1 . . . . . . . 2.24 1 1
95 1 . . . . . . . 3.53 1 1
96 1 . . . . . . . 3.3 1 1
97 1 . . . . . . . 2.26 1 1
98 1 . . . . . . . 3.27 1 1
99 1 . . . . . . . 1.89 1 1
100 1 . . . . . . . 2.83 1 1
101 1 . . . . . . . 2.78 1 1
102 1 . . . . . . . 2.1 1 1
103 1 . . . . . . . 4.74 1 1
104 1 . . . . . . . 4.04 1 1
105 1 . . . . . . . 2.26 1 1
106 1 . . . . . . . 3.51 1 1
107 1 . . . . . . . 3.42 1 1
108 1 . . . . . . . 3.89 1 1
109 1 . . . . . . . 2.94 1 1
110 1 . . . . . . . 3.63 1 1
111 1 . . . . . . . 2.58 1 1
112 1 . . . . . . . 2.44 1 1
113 1 . . . . . . . 2.71 1 1
114 1 . . . . . . . 3.51 1 1
115 1 . . . . . . . 3.41 1 1
116 1 . . . . . . . 2.56 1 1
117 1 . . . . . . . 2.08 1 1
118 1 . . . . . . . 3.09 1 1
119 1 . . . . . . . 3.58 1 1
120 1 . . . . . . . 3.0 1 1
121 1 . . . . . . . 2.3 1 1
122 1 . . . . . . . 4.8 1 1
123 1 . . . . . . . 2.09 1 1
124 1 . . . . . . . 3.5 1 1
125 1 . . . . . . . 3.97 1 1
126 1 . . . . . . . 2.5 1 1
127 1 . . . . . . . 2.14 1 1
128 1 . . . . . . . 3.4 1 1
129 1 . . . . . . . 2.39 1 1
130 1 . . . . . . . 4.37 1 1
131 1 . . . . . . . 2.84 1 1
132 1 . . . . . . . 2.77 1 1
133 1 . . . . . . . 3.85 1 1
134 1 . . . . . . . 2.51 1 1
135 1 . . . . . . . 3.84 1 1
136 1 . . . . . . . 2.26 1 1
137 1 . . . . . . . 3.0 1 1
138 1 . . . . . . . 3.26 1 1
139 1 . . . . . . . 3.79 1 1
140 1 . . . . . . . 2.0 1 1
141 1 . . . . . . . 2.0 1 1
142 1 . . . . . . . 3.72 1 1
143 1 . . . . . . . 2.5 1 1
144 1 . . . . . . . 3.47 1 1
145 1 . . . . . . . 4.0 1 1
146 1 . . . . . . . 3.52 1 1
147 1 . . . . . . . 4.1 1 1
148 1 . . . . . . . 2.25 1 1
149 1 . . . . . . . 3.84 1 1
150 1 . . . . . . . 3.89 1 1
151 1 . . . . . . . 3.85 1 1
152 1 . . . . . . . 2.0 1 1
153 1 . . . . . . . 3.67 1 1
154 1 . . . . . . . 2.61 1 1
155 1 . . . . . . . 2.31 1 1
156 1 . . . . . . . 3.19 1 1
157 1 . . . . . . . 3.69 1 1
158 1 . . . . . . . 3.95 1 1
159 1 . . . . . . . 2.75 1 1
160 1 . . . . . . . 2.28 1 1
161 1 . . . . . . . 3.43 1 1
162 1 . . . . . . . 3.11 1 1
163 1 . . . . . . . 3.0 1 1
164 1 . . . . . . . 4.08 1 1
165 1 . . . . . . . 3.66 1 1
166 1 . . . . . . . 2.8 1 1
167 1 . . . . . . . 4.05 1 1
168 1 . . . . . . . 3.1 1 1
169 1 . . . . . . . 2.88 1 1
170 1 . . . . . . . 3.43 1 1
171 1 . . . . . . . 2.96 1 1
172 1 . . . . . . . 2.08 1 1
173 1 . . . . . . . 3.5 1 1
174 1 . . . . . . . 3.39 1 1
175 1 . . . . . . . 2.16 1 1
176 1 . . . . . . . 2.95 1 1
177 1 . . . . . . . 2.98 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 DG C1' C -8.797 7.118 1.176 1.00 . A A . 1 DG C1' 1 1
1 2 1 1 1 DG C2 C -8.849 3.072 -0.306 1.00 . A A . 1 DG C2 1 1
1 3 1 1 1 DG C2' C -8.167 7.941 2.301 1.00 . A A . 1 DG C2' 1 1
1 4 1 1 1 DG C3' C -8.862 9.317 2.266 1.00 . A A . 1 DG C3' 1 1
1 5 1 1 1 DG C4 C -7.938 5.096 -0.056 1.00 . A A . 1 DG C4 1 1
1 6 1 1 1 DG C4' C -10.007 9.045 1.267 1.00 . A A . 1 DG C4' 1 1
1 7 1 1 1 DG C5 C -6.801 4.803 -0.784 1.00 . A A . 1 DG C5 1 1
1 8 1 1 1 DG C5' C -10.489 10.275 0.488 1.00 . A A . 1 DG C5' 1 1
1 9 1 1 1 DG C6 C -6.694 3.472 -1.335 1.00 . A A . 1 DG C6 1 1
1 10 1 1 1 DG C8 C -6.610 6.842 -0.222 1.00 . A A . 1 DG C8 1 1
1 11 1 1 1 DG H1 H -7.751 1.726 -1.410 1.00 . A A . 1 DG H1 1 1
1 12 1 1 1 DG H1' H -9.456 6.394 1.656 1.00 . A A . 1 DG H1' 1 1
1 13 1 1 1 DG H2' H -7.088 8.038 2.174 1.00 . A A . 1 DG H2' 1 1
1 14 1 1 1 DG H2'' H -8.344 7.410 3.236 1.00 . A A . 1 DG H2'' 1 1
1 15 1 1 1 DG H21 H -10.612 2.529 0.416 1.00 . A A . 1 DG H21 1 1
1 16 1 1 1 DG H22 H -9.781 1.284 -0.515 1.00 . A A . 1 DG H22 1 1
1 17 1 1 1 DG H3' H -8.180 10.020 1.787 1.00 . A A . 1 DG H3' 1 1
1 18 1 1 1 DG H4' H -10.877 8.666 1.804 1.00 . A A . 1 DG H4' 1 1
1 19 1 1 1 DG H5' H -11.232 9.972 -0.249 1.00 . A A . 1 DG H5' 1 1
1 20 1 1 1 DG H5'' H -10.961 10.961 1.191 1.00 . A A . 1 DG H5'' 1 1
1 21 1 1 1 DG H8 H -6.232 7.847 -0.108 1.00 . A A . 1 DG H8 1 1
1 22 1 1 1 DG HO5' H -9.742 11.621 -0.723 1.00 . A A . 1 DG HO5' 1 1
1 23 1 1 1 DG N1 N -7.776 2.666 -1.041 1.00 . A A . 1 DG N1 1 1
1 24 1 1 1 DG N2 N -9.816 2.212 -0.118 1.00 . A A . 1 DG N2 1 1
1 25 1 1 1 DG N3 N -8.994 4.270 0.235 1.00 . A A . 1 DG N3 1 1
1 26 1 1 1 DG N7 N -5.973 5.924 -0.913 1.00 . A A . 1 DG N7 1 1
1 27 1 1 1 DG N9 N -7.806 6.407 0.330 1.00 . A A . 1 DG N9 1 1
1 28 1 1 1 DG O3' O -9.187 9.820 3.556 1.00 . A A . 1 DG O3' 1 1
1 29 1 1 1 DG O4' O -9.542 8.026 0.386 1.00 . A A . 1 DG O4' 1 1
1 30 1 1 1 DG O5' O -9.413 10.885 -0.203 1.00 . A A . 1 DG O5' 1 1
1 31 1 1 1 DG O6 O -5.824 2.968 -2.048 1.00 . A A . 1 DG O6 1 1
1 32 1 1 2 DC C1' C -9.559 3.841 4.042 1.00 . A A . 2 DC C1' 1 1
1 33 1 1 2 DC C2 C -7.769 2.560 2.940 1.00 . A A . 2 DC C2 1 1
1 34 1 1 2 DC C2' C -9.705 3.928 5.578 1.00 . A A . 2 DC C2' 1 1
1 35 1 1 2 DC C3' C -10.780 4.979 5.812 1.00 . A A . 2 DC C3' 1 1
1 36 1 1 2 DC C4 C -5.756 3.528 2.459 1.00 . A A . 2 DC C4 1 1
1 37 1 1 2 DC C4' C -11.157 5.422 4.387 1.00 . A A . 2 DC C4' 1 1
1 38 1 1 2 DC C5 C -6.038 4.679 3.234 1.00 . A A . 2 DC C5 1 1
1 39 1 1 2 DC C5' C -11.445 6.899 4.208 1.00 . A A . 2 DC C5' 1 1
1 40 1 1 2 DC C6 C -7.243 4.714 3.864 1.00 . A A . 2 DC C6 1 1
1 41 1 1 2 DC H1' H -10.169 3.011 3.686 1.00 . A A . 2 DC H1' 1 1
1 42 1 1 2 DC H2' H -8.786 4.235 6.077 1.00 . A A . 2 DC H2' 1 1
1 43 1 1 2 DC H2'' H -10.009 2.944 5.936 1.00 . A A . 2 DC H2'' 1 1
1 44 1 1 2 DC H3' H -10.311 5.828 6.309 1.00 . A A . 2 DC H3' 1 1
1 45 1 1 2 DC H4' H -12.056 4.879 4.095 1.00 . A A . 2 DC H4' 1 1
1 46 1 1 2 DC H41 H -3.944 4.192 1.893 1.00 . A A . 2 DC H41 1 1
1 47 1 1 2 DC H42 H -4.418 2.590 1.328 1.00 . A A . 2 DC H42 1 1
1 48 1 1 2 DC H5 H -5.336 5.484 3.390 1.00 . A A . 2 DC H5 1 1
1 49 1 1 2 DC H5' H -11.678 7.099 3.162 1.00 . A A . 2 DC H5' 1 1
1 50 1 1 2 DC H5'' H -12.326 7.157 4.796 1.00 . A A . 2 DC H5'' 1 1
1 51 1 1 2 DC H6 H -7.518 5.531 4.514 1.00 . A A . 2 DC H6 1 1
1 52 1 1 2 DC N1 N -8.147 3.700 3.643 1.00 . A A . 2 DC N1 1 1
1 53 1 1 2 DC N3 N -6.563 2.492 2.338 1.00 . A A . 2 DC N3 1 1
1 54 1 1 2 DC N4 N -4.627 3.452 1.811 1.00 . A A . 2 DC N4 1 1
1 55 1 1 2 DC O2 O -8.505 1.578 2.828 1.00 . A A . 2 DC O2 1 1
1 56 1 1 2 DC O3' O -11.925 4.465 6.490 1.00 . A A . 2 DC O3' 1 1
1 57 1 1 2 DC O4' O -10.085 5.047 3.555 1.00 . A A . 2 DC O4' 1 1
1 58 1 1 2 DC O5' O -10.383 7.757 4.605 1.00 . A A . 2 DC O5' 1 1
1 59 1 1 2 DC OP1 O -11.687 9.766 3.743 1.00 . A A . 2 DC OP1 1 1
1 60 1 1 2 DC OP2 O -10.203 9.968 5.808 1.00 . A A . 2 DC OP2 1 1
1 61 1 1 2 DC P P -10.455 9.379 4.463 1.00 . A A . 2 DC P 1 1
1 62 1 1 3 DT C1' C -9.020 -0.254 6.917 1.00 . A A . 3 DT C1' 1 1
1 63 1 1 3 DT C2 C -6.915 -0.292 5.627 1.00 . A A . 3 DT C2 1 1
1 64 1 1 3 DT C2' C -9.342 -0.221 8.411 1.00 . A A . 3 DT C2' 1 1
1 65 1 1 3 DT C3' C -10.840 -0.486 8.387 1.00 . A A . 3 DT C3' 1 1
1 66 1 1 3 DT C4 C -5.395 1.630 5.585 1.00 . A A . 3 DT C4 1 1
1 67 1 1 3 DT C4' C -11.304 0.175 7.047 1.00 . A A . 3 DT C4' 1 1
1 68 1 1 3 DT C5 C -6.284 2.292 6.544 1.00 . A A . 3 DT C5 1 1
1 69 1 1 3 DT C5' C -12.098 1.488 7.233 1.00 . A A . 3 DT C5' 1 1
1 70 1 1 3 DT C6 C -7.428 1.681 6.953 1.00 . A A . 3 DT C6 1 1
1 71 1 1 3 DT C7 C -5.933 3.677 7.061 1.00 . A A . 3 DT C7 1 1
1 72 1 1 3 DT H1' H -8.999 -1.298 6.606 1.00 . A A . 3 DT H1' 1 1
1 73 1 1 3 DT H2' H -9.182 0.764 8.849 1.00 . A A . 3 DT H2' 1 1
1 74 1 1 3 DT H2'' H -8.785 -0.994 8.940 1.00 . A A . 3 DT H2'' 1 1
1 75 1 1 3 DT H3 H -5.193 -0.092 4.540 1.00 . A A . 3 DT H3 1 1
1 76 1 1 3 DT H3' H -11.340 -0.035 9.244 1.00 . A A . 3 DT H3' 1 1
1 77 1 1 3 DT H4' H -11.930 -0.522 6.490 1.00 . A A . 3 DT H4' 1 1
1 78 1 1 3 DT H5' H -12.378 1.852 6.245 1.00 . A A . 3 DT H5' 1 1
1 79 1 1 3 DT H5'' H -13.041 1.264 7.733 1.00 . A A . 3 DT H5'' 1 1
1 80 1 1 3 DT H6 H -8.119 2.181 7.615 1.00 . A A . 3 DT H6 1 1
1 81 1 1 3 DT H71 H -4.962 3.613 7.553 1.00 . A A . 3 DT H71 1 1
1 82 1 1 3 DT H72 H -5.863 4.377 6.229 1.00 . A A . 3 DT H72 1 1
1 83 1 1 3 DT H73 H -6.670 4.004 7.795 1.00 . A A . 3 DT H73 1 1
1 84 1 1 3 DT N1 N -7.743 0.401 6.525 1.00 . A A . 3 DT N1 1 1
1 85 1 1 3 DT N3 N -5.786 0.371 5.214 1.00 . A A . 3 DT N3 1 1
1 86 1 1 3 DT O2 O -7.129 -1.432 5.203 1.00 . A A . 3 DT O2 1 1
1 87 1 1 3 DT O3' O -11.125 -1.882 8.312 1.00 . A A . 3 DT O3' 1 1
1 88 1 1 3 DT O4 O -4.351 2.077 5.113 1.00 . A A . 3 DT O4 1 1
1 89 1 1 3 DT O4' O -10.106 0.430 6.311 1.00 . A A . 3 DT O4' 1 1
1 90 1 1 3 DT O5' O -11.369 2.483 7.958 1.00 . A A . 3 DT O5' 1 1
1 91 1 1 3 DT OP1 O -13.302 4.013 8.542 1.00 . A A . 3 DT OP1 1 1
1 92 1 1 3 DT OP2 O -10.897 4.827 8.767 1.00 . A A . 3 DT OP2 1 1
1 93 1 1 3 DT P P -11.906 4.017 8.034 1.00 . A A . 3 DT P 1 1
1 94 1 1 4 DA C1' C -5.518 -3.340 8.773 1.00 . A A . 4 DA C1' 1 1
1 95 1 1 4 DA C2 C -2.120 -2.608 6.179 1.00 . A A . 4 DA C2 1 1
1 96 1 1 4 DA C2' C -6.067 -3.317 10.190 1.00 . A A . 4 DA C2' 1 1
1 97 1 1 4 DA C3' C -6.825 -4.632 10.173 1.00 . A A . 4 DA C3' 1 1
1 98 1 1 4 DA C4 C -3.773 -2.000 7.562 1.00 . A A . 4 DA C4 1 1
1 99 1 1 4 DA C4' C -7.388 -4.620 8.732 1.00 . A A . 4 DA C4' 1 1
1 100 1 1 4 DA C5 C -3.454 -0.668 7.503 1.00 . A A . 4 DA C5 1 1
1 101 1 1 4 DA C5' C -8.914 -4.363 8.607 1.00 . A A . 4 DA C5' 1 1
1 102 1 1 4 DA C6 C -2.335 -0.396 6.680 1.00 . A A . 4 DA C6 1 1
1 103 1 1 4 DA C8 C -5.032 -0.825 8.916 1.00 . A A . 4 DA C8 1 1
1 104 1 1 4 DA H1' H -4.813 -4.166 8.678 1.00 . A A . 4 DA H1' 1 1
1 105 1 1 4 DA H2 H -1.590 -3.362 5.616 1.00 . A A . 4 DA H2 1 1
1 106 1 1 4 DA H2' H -6.776 -2.497 10.307 1.00 . A A . 4 DA H2' 1 1
1 107 1 1 4 DA H2'' H -5.289 -3.265 10.951 1.00 . A A . 4 DA H2'' 1 1
1 108 1 1 4 DA H3' H -7.600 -4.601 10.938 1.00 . A A . 4 DA H3' 1 1
1 109 1 1 4 DA H4' H -7.188 -5.597 8.291 1.00 . A A . 4 DA H4' 1 1
1 110 1 1 4 DA H5' H -9.158 -4.073 7.586 1.00 . A A . 4 DA H5' 1 1
1 111 1 1 4 DA H5'' H -9.394 -5.314 8.839 1.00 . A A . 4 DA H5'' 1 1
1 112 1 1 4 DA H61 H -2.392 1.593 6.826 1.00 . A A . 4 DA H61 1 1
1 113 1 1 4 DA H62 H -1.094 0.955 5.811 1.00 . A A . 4 DA H62 1 1
1 114 1 1 4 DA H8 H -5.756 -0.633 9.694 1.00 . A A . 4 DA H8 1 1
1 115 1 1 4 DA N1 N -1.688 -1.366 6.033 1.00 . A A . 4 DA N1 1 1
1 116 1 1 4 DA N3 N -3.149 -3.030 6.917 1.00 . A A . 4 DA N3 1 1
1 117 1 1 4 DA N6 N -1.845 0.821 6.472 1.00 . A A . 4 DA N6 1 1
1 118 1 1 4 DA N7 N -4.282 0.097 8.340 1.00 . A A . 4 DA N7 1 1
1 119 1 1 4 DA N9 N -4.848 -2.083 8.411 1.00 . A A . 4 DA N9 1 1
1 120 1 1 4 DA O3' O -5.942 -5.726 10.328 1.00 . A A . 4 DA O3' 1 1
1 121 1 1 4 DA O4' O -6.667 -3.648 7.979 1.00 . A A . 4 DA O4' 1 1
1 122 1 1 4 DA O5' O -9.401 -3.356 9.500 1.00 . A A . 4 DA O5' 1 1
1 123 1 1 4 DA OP1 O -11.814 -4.095 9.278 1.00 . A A . 4 DA OP1 1 1
1 124 1 1 4 DA OP2 O -11.193 -2.156 10.818 1.00 . A A . 4 DA OP2 1 1
1 125 1 1 4 DA P P -10.961 -2.910 9.562 1.00 . A A . 4 DA P 1 1
1 126 1 1 5 DG C1' C -1.142 -6.910 10.536 1.00 . A A . 5 DG C1' 1 1
1 127 1 1 5 DG C2 C 1.392 -3.767 8.805 1.00 . A A . 5 DG C2 1 1
1 128 1 1 5 DG C2' C -1.370 -7.515 11.919 1.00 . A A . 5 DG C2' 1 1
1 129 1 1 5 DG C3' C -1.949 -8.887 11.585 1.00 . A A . 5 DG C3' 1 1
1 130 1 1 5 DG C4 C -0.416 -4.561 9.873 1.00 . A A . 5 DG C4 1 1
1 131 1 1 5 DG C4' C -2.717 -8.620 10.290 1.00 . A A . 5 DG C4' 1 1
1 132 1 1 5 DG C5 C -1.010 -3.302 10.016 1.00 . A A . 5 DG C5 1 1
1 133 1 1 5 DG C5' C -4.215 -8.322 10.491 1.00 . A A . 5 DG C5' 1 1
1 134 1 1 5 DG C6 C -0.313 -2.171 9.444 1.00 . A A . 5 DG C6 1 1
1 135 1 1 5 DG C8 C -2.286 -4.689 11.011 1.00 . A A . 5 DG C8 1 1
1 136 1 1 5 DG H1 H 1.388 -1.736 8.430 1.00 . A A . 5 DG H1 1 1
1 137 1 1 5 DG H1' H -0.157 -7.207 10.175 1.00 . A A . 5 DG H1' 1 1
1 138 1 1 5 DG H2' H -2.123 -6.951 12.468 1.00 . A A . 5 DG H2' 1 1
1 139 1 1 5 DG H2'' H -0.481 -7.547 12.549 1.00 . A A . 5 DG H2'' 1 1
1 140 1 1 5 DG H21 H 2.906 -4.892 8.111 1.00 . A A . 5 DG H21 1 1
1 141 1 1 5 DG H22 H 3.062 -3.164 7.863 1.00 . A A . 5 DG H22 1 1
1 142 1 1 5 DG H3' H -2.618 -9.213 12.382 1.00 . A A . 5 DG H3' 1 1
1 143 1 1 5 DG H4' H -2.639 -9.498 9.649 1.00 . A A . 5 DG H4' 1 1
1 144 1 1 5 DG H5' H -4.612 -8.004 9.527 1.00 . A A . 5 DG H5' 1 1
1 145 1 1 5 DG H5'' H -4.698 -9.250 10.798 1.00 . A A . 5 DG H5'' 1 1
1 146 1 1 5 DG H8 H -3.107 -5.139 11.551 1.00 . A A . 5 DG H8 1 1
1 147 1 1 5 DG N1 N 0.888 -2.506 8.851 1.00 . A A . 5 DG N1 1 1
1 148 1 1 5 DG N2 N 2.539 -3.956 8.209 1.00 . A A . 5 DG N2 1 1
1 149 1 1 5 DG N3 N 0.768 -4.855 9.258 1.00 . A A . 5 DG N3 1 1
1 150 1 1 5 DG N7 N -2.208 -3.410 10.738 1.00 . A A . 5 DG N7 1 1
1 151 1 1 5 DG N9 N -1.269 -5.444 10.501 1.00 . A A . 5 DG N9 1 1
1 152 1 1 5 DG O3' O -0.931 -9.872 11.309 1.00 . A A . 5 DG O3' 1 1
1 153 1 1 5 DG O4' O -2.097 -7.497 9.642 1.00 . A A . 5 DG O4' 1 1
1 154 1 1 5 DG O5' O -4.474 -7.330 11.487 1.00 . A A . 5 DG O5' 1 1
1 155 1 1 5 DG O6 O -0.651 -0.991 9.392 1.00 . A A . 5 DG O6 1 1
1 156 1 1 5 DG OP1 O -6.977 -7.658 11.630 1.00 . A A . 5 DG OP1 1 1
1 157 1 1 5 DG OP2 O -5.816 -5.695 12.823 1.00 . A A . 5 DG OP2 1 1
1 158 1 1 5 DG P P -5.904 -6.620 11.657 1.00 . A A . 5 DG P 1 1
1 159 1 1 6 DC C1' C 3.907 -6.768 11.810 1.00 . A A . 6 DC C1' 1 1
1 160 1 1 6 DC C2 C 3.446 -4.319 11.803 1.00 . A A . 6 DC C2 1 1
1 161 1 1 6 DC C2' C 4.206 -7.771 12.919 1.00 . A A . 6 DC C2' 1 1
1 162 1 1 6 DC C3' C 4.352 -9.086 12.149 1.00 . A A . 6 DC C3' 1 1
1 163 1 1 6 DC C4 C 1.475 -3.468 12.617 1.00 . A A . 6 DC C4 1 1
1 164 1 1 6 DC C4' C 3.489 -8.875 10.898 1.00 . A A . 6 DC C4' 1 1
1 165 1 1 6 DC C5 C 1.021 -4.734 13.017 1.00 . A A . 6 DC C5 1 1
1 166 1 1 6 DC C5' C 2.154 -9.682 10.899 1.00 . A A . 6 DC C5' 1 1
1 167 1 1 6 DC C6 C 1.824 -5.797 12.774 1.00 . A A . 6 DC C6 1 1
1 168 1 1 6 DC H1' H 4.867 -6.441 11.411 1.00 . A A . 6 DC H1' 1 1
1 169 1 1 6 DC H2' H 3.371 -7.855 13.615 1.00 . A A . 6 DC H2' 1 1
1 170 1 1 6 DC H2'' H 5.111 -7.503 13.465 1.00 . A A . 6 DC H2'' 1 1
1 171 1 1 6 DC H3' H 3.978 -9.918 12.746 1.00 . A A . 6 DC H3' 1 1
1 172 1 1 6 DC H4' H 4.085 -9.194 10.042 1.00 . A A . 6 DC H4' 1 1
1 173 1 1 6 DC H41 H -0.244 -2.549 13.060 1.00 . A A . 6 DC H41 1 1
1 174 1 1 6 DC H42 H 1.043 -1.521 12.442 1.00 . A A . 6 DC H42 1 1
1 175 1 1 6 DC H5 H 0.063 -4.866 13.499 1.00 . A A . 6 DC H5 1 1
1 176 1 1 6 DC H5' H 1.542 -9.397 10.043 1.00 . A A . 6 DC H5' 1 1
1 177 1 1 6 DC H5'' H 2.428 -10.734 10.812 1.00 . A A . 6 DC H5'' 1 1
1 178 1 1 6 DC H6 H 1.500 -6.795 13.029 1.00 . A A . 6 DC H6 1 1
1 179 1 1 6 DC N1 N 3.055 -5.615 12.189 1.00 . A A . 6 DC N1 1 1
1 180 1 1 6 DC N3 N 2.624 -3.258 12.012 1.00 . A A . 6 DC N3 1 1
1 181 1 1 6 DC N4 N 0.695 -2.431 12.706 1.00 . A A . 6 DC N4 1 1
1 182 1 1 6 DC O2 O 4.516 -4.104 11.237 1.00 . A A . 6 DC O2 1 1
1 183 1 1 6 DC O3' O 5.708 -9.338 11.760 1.00 . A A . 6 DC O3' 1 1
1 184 1 1 6 DC O4' O 3.224 -7.476 10.800 1.00 . A A . 6 DC O4' 1 1
1 185 1 1 6 DC O5' O 1.429 -9.529 12.115 1.00 . A A . 6 DC O5' 1 1
1 186 1 1 6 DC OP1 O 0.380 -11.836 12.097 1.00 . A A . 6 DC OP1 1 1
1 187 1 1 6 DC OP2 O -0.389 -10.063 13.782 1.00 . A A . 6 DC OP2 1 1
1 188 1 1 6 DC P P 0.104 -10.405 12.428 1.00 . A A . 6 DC P 1 1
1 189 1 1 7 DG C1' C 8.076 -4.657 14.013 1.00 . A A . 7 DG C1' 1 1
1 190 1 1 7 DG C2 C 7.022 -0.450 13.398 1.00 . A A . 7 DG C2 1 1
1 191 1 1 7 DG C2' C 8.415 -5.667 15.110 1.00 . A A . 7 DG C2' 1 1
1 192 1 1 7 DG C3' C 9.486 -6.535 14.426 1.00 . A A . 7 DG C3' 1 1
1 193 1 1 7 DG C4 C 6.588 -2.583 13.993 1.00 . A A . 7 DG C4 1 1
1 194 1 1 7 DG C4' C 8.988 -6.474 12.956 1.00 . A A . 7 DG C4' 1 1
1 195 1 1 7 DG C5 C 5.275 -2.338 14.294 1.00 . A A . 7 DG C5 1 1
1 196 1 1 7 DG C5' C 8.454 -7.802 12.396 1.00 . A A . 7 DG C5' 1 1
1 197 1 1 7 DG C6 C 4.774 -1.004 14.113 1.00 . A A . 7 DG C6 1 1
1 198 1 1 7 DG C8 C 5.621 -4.375 14.753 1.00 . A A . 7 DG C8 1 1
1 199 1 1 7 DG H1 H 5.477 0.872 13.648 1.00 . A A . 7 DG H1 1 1
1 200 1 1 7 DG H1' H 8.875 -3.919 13.945 1.00 . A A . 7 DG H1' 1 1
1 201 1 1 7 DG H2' H 7.547 -6.289 15.328 1.00 . A A . 7 DG H2' 1 1
1 202 1 1 7 DG H2'' H 8.752 -5.170 16.020 1.00 . A A . 7 DG H2'' 1 1
1 203 1 1 7 DG H22 H 7.328 1.429 12.806 1.00 . A A . 7 DG H22 1 1
1 204 1 1 7 DG H3' H 9.458 -7.558 14.801 1.00 . A A . 7 DG H3' 1 1
1 205 1 1 7 DG H4' H 9.837 -6.191 12.334 1.00 . A A . 7 DG H4' 1 1
1 206 1 1 7 DG H5' H 7.985 -7.591 11.434 1.00 . A A . 7 DG H5' 1 1
1 207 1 1 7 DG H5'' H 9.284 -8.470 12.164 1.00 . A A . 7 DG H5'' 1 1
1 208 1 1 7 DG H8 H 5.513 -5.392 15.100 1.00 . A A . 7 DG H8 1 1
1 209 1 1 7 DG N1 N 5.742 -0.101 13.704 1.00 . A A . 7 DG N1 1 1
1 210 1 1 7 DG N2 N 7.771 0.526 12.905 1.00 . A A . 7 DG N2 1 1
1 211 1 1 7 DG N3 N 7.510 -1.691 13.526 1.00 . A A . 7 DG N3 1 1
1 212 1 1 7 DG N7 N 4.668 -3.482 14.818 1.00 . A A . 7 DG N7 1 1
1 213 1 1 7 DG N9 N 6.822 -3.912 14.248 1.00 . A A . 7 DG N9 1 1
1 214 1 1 7 DG O3' O 10.786 -5.974 14.523 1.00 . A A . 7 DG O3' 1 1
1 215 1 1 7 DG O4' O 8.004 -5.453 12.852 1.00 . A A . 7 DG O4' 1 1
1 216 1 1 7 DG O5' O 7.553 -8.473 13.266 1.00 . A A . 7 DG O5' 1 1
1 217 1 1 7 DG O6 O 3.630 -0.581 14.258 1.00 . A A . 7 DG O6 1 1
1 218 1 1 7 DG OP1 O 7.783 -10.661 12.012 1.00 . A A . 7 DG OP1 1 1
1 219 1 1 7 DG OP2 O 6.177 -10.447 13.982 1.00 . A A . 7 DG OP2 1 1
1 220 1 1 7 DG P P 6.828 -9.837 12.788 1.00 . A A . 7 DG P 1 1
1 221 1 1 8 DA C1' C 9.110 -1.467 17.499 1.00 . A A . 8 DA C1' 1 1
1 222 1 1 8 DA C2 C 5.568 1.032 16.852 1.00 . A A . 8 DA C2 1 1
1 223 1 1 8 DA C2' C 9.903 -2.032 18.669 1.00 . A A . 8 DA C2' 1 1
1 224 1 1 8 DA C3' C 11.328 -2.052 18.128 1.00 . A A . 8 DA C3' 1 1
1 225 1 1 8 DA C4 C 6.632 -0.863 17.387 1.00 . A A . 8 DA C4 1 1
1 226 1 1 8 DA C4' C 11.113 -2.107 16.606 1.00 . A A . 8 DA C4' 1 1
1 227 1 1 8 DA C5 C 5.481 -1.541 17.696 1.00 . A A . 8 DA C5 1 1
1 228 1 1 8 DA C5' C 11.692 -3.351 15.940 1.00 . A A . 8 DA C5' 1 1
1 229 1 1 8 DA C6 C 4.308 -0.745 17.574 1.00 . A A . 8 DA C6 1 1
1 230 1 1 8 DA C8 C 7.044 -2.959 17.938 1.00 . A A . 8 DA C8 1 1
1 231 1 1 8 DA H1' H 9.256 -0.387 17.479 1.00 . A A . 8 DA H1' 1 1
1 232 1 1 8 DA H2 H 5.579 2.031 16.442 1.00 . A A . 8 DA H2 1 1
1 233 1 1 8 DA H2' H 9.600 -3.059 18.875 1.00 . A A . 8 DA H2' 1 1
1 234 1 1 8 DA H2'' H 9.776 -1.392 19.542 1.00 . A A . 8 DA H2'' 1 1
1 235 1 1 8 DA H3' H 11.830 -2.957 18.469 1.00 . A A . 8 DA H3' 1 1
1 236 1 1 8 DA H4' H 11.554 -1.211 16.168 1.00 . A A . 8 DA H4' 1 1
1 237 1 1 8 DA H5' H 11.402 -3.362 14.889 1.00 . A A . 8 DA H5' 1 1
1 238 1 1 8 DA H5'' H 12.780 -3.291 15.958 1.00 . A A . 8 DA H5'' 1 1
1 239 1 1 8 DA H61 H 2.953 -2.079 18.220 1.00 . A A . 8 DA H61 1 1
1 240 1 1 8 DA H62 H 2.277 -0.568 17.649 1.00 . A A . 8 DA H62 1 1
1 241 1 1 8 DA H8 H 7.608 -3.865 18.105 1.00 . A A . 8 DA H8 1 1
1 242 1 1 8 DA N1 N 4.375 0.529 17.150 1.00 . A A . 8 DA N1 1 1
1 243 1 1 8 DA N3 N 6.753 0.425 16.952 1.00 . A A . 8 DA N3 1 1
1 244 1 1 8 DA N6 N 3.078 -1.155 17.831 1.00 . A A . 8 DA N6 1 1
1 245 1 1 8 DA N7 N 5.738 -2.888 18.046 1.00 . A A . 8 DA N7 1 1
1 246 1 1 8 DA N9 N 7.654 -1.766 17.585 1.00 . A A . 8 DA N9 1 1
1 247 1 1 8 DA O3' O 12.093 -0.903 18.507 1.00 . A A . 8 DA O3' 1 1
1 248 1 1 8 DA O4' O 9.708 -2.078 16.367 1.00 . A A . 8 DA O4' 1 1
1 249 1 1 8 DA O5' O 11.286 -4.553 16.570 1.00 . A A . 8 DA O5' 1 1
1 250 1 1 8 DA OP1 O 13.095 -5.880 15.519 1.00 . A A . 8 DA OP1 1 1
1 251 1 1 8 DA OP2 O 11.216 -7.070 16.763 1.00 . A A . 8 DA OP2 1 1
1 252 1 1 8 DA P P 11.650 -5.952 15.880 1.00 . A A . 8 DA P 1 1
1 253 1 1 9 DG C1' C 7.744 2.477 20.667 1.00 . A A . 9 DG C1' 1 1
1 254 1 1 9 DG C2 C 3.448 2.873 21.202 1.00 . A A . 9 DG C2 1 1
1 255 1 1 9 DG C2' C 8.280 2.866 22.027 1.00 . A A . 9 DG C2' 1 1
1 256 1 1 9 DG C3' C 9.770 2.517 22.003 1.00 . A A . 9 DG C3' 1 1
1 257 1 1 9 DG C4 C 5.340 1.710 20.937 1.00 . A A . 9 DG C4 1 1
1 258 1 1 9 DG C4' C 10.037 2.501 20.493 1.00 . A A . 9 DG C4' 1 1
1 259 1 1 9 DG C5 C 4.715 0.488 20.992 1.00 . A A . 9 DG C5 1 1
1 260 1 1 9 DG C5' C 11.275 1.746 19.985 1.00 . A A . 9 DG C5' 1 1
1 261 1 1 9 DG C6 C 3.280 0.469 21.103 1.00 . A A . 9 DG C6 1 1
1 262 1 1 9 DG C8 C 6.789 0.081 20.757 1.00 . A A . 9 DG C8 1 1
1 263 1 1 9 DG H1 H 1.727 1.778 21.341 1.00 . A A . 9 DG H1 1 1
1 264 1 1 9 DG H1' H 7.315 3.366 20.205 1.00 . A A . 9 DG H1' 1 1
1 265 1 1 9 DG H2' H 7.771 2.334 22.830 1.00 . A A . 9 DG H2' 1 1
1 266 1 1 9 DG H2'' H 8.165 3.947 22.114 1.00 . A A . 9 DG H2'' 1 1
1 267 1 1 9 DG H21 H 3.430 4.822 21.443 1.00 . A A . 9 DG H21 1 1
1 268 1 1 9 DG H22 H 1.843 4.036 21.533 1.00 . A A . 9 DG H22 1 1
1 269 1 1 9 DG H3' H 9.900 1.535 22.457 1.00 . A A . 9 DG H3' 1 1
1 270 1 1 9 DG H4' H 10.139 3.539 20.176 1.00 . A A . 9 DG H4' 1 1
1 271 1 1 9 DG H5' H 11.208 1.693 18.898 1.00 . A A . 9 DG H5' 1 1
1 272 1 1 9 DG H5'' H 12.177 2.290 20.266 1.00 . A A . 9 DG H5'' 1 1
1 273 1 1 9 DG H8 H 7.734 -0.441 20.723 1.00 . A A . 9 DG H8 1 1
1 274 1 1 9 DG N1 N 2.730 1.728 21.236 1.00 . A A . 9 DG N1 1 1
1 275 1 1 9 DG N2 N 2.845 3.998 21.413 1.00 . A A . 9 DG N2 1 1
1 276 1 1 9 DG N3 N 4.757 2.936 21.047 1.00 . A A . 9 DG N3 1 1
1 277 1 1 9 DG N7 N 5.652 -0.554 20.903 1.00 . A A . 9 DG N7 1 1
1 278 1 1 9 DG N9 N 6.685 1.453 20.783 1.00 . A A . 9 DG N9 1 1
1 279 1 1 9 DG O3' O 10.539 3.544 22.636 1.00 . A A . 9 DG O3' 1 1
1 280 1 1 9 DG O4' O 8.846 1.994 19.907 1.00 . A A . 9 DG O4' 1 1
1 281 1 1 9 DG O5' O 11.380 0.433 20.526 1.00 . A A . 9 DG O5' 1 1
1 282 1 1 9 DG O6 O 2.505 -0.484 21.094 1.00 . A A . 9 DG O6 1 1
1 283 1 1 9 DG OP1 O 13.858 0.100 19.976 1.00 . A A . 9 DG OP1 1 1
1 284 1 1 9 DG OP2 O 12.425 -1.830 20.830 1.00 . A A . 9 DG OP2 1 1
1 285 1 1 9 DG P P 12.535 -0.583 20.022 1.00 . A A . 9 DG P 1 1
1 286 1 1 10 DT C1' C 5.529 4.599 25.021 1.00 . A A . 10 DT C1' 1 1
1 287 1 1 10 DT C2 C 3.891 2.751 24.783 1.00 . A A . 10 DT C2 1 1
1 288 1 1 10 DT C2' C 6.065 4.979 26.412 1.00 . A A . 10 DT C2' 1 1
1 289 1 1 10 DT C3' C 7.198 5.967 26.156 1.00 . A A . 10 DT C3' 1 1
1 290 1 1 10 DT C4 C 4.608 0.423 24.525 1.00 . A A . 10 DT C4 1 1
1 291 1 1 10 DT C4' C 7.410 5.919 24.649 1.00 . A A . 10 DT C4' 1 1
1 292 1 1 10 DT C5 C 5.992 0.889 24.713 1.00 . A A . 10 DT C5 1 1
1 293 1 1 10 DT C5' C 8.867 5.615 24.292 1.00 . A A . 10 DT C5' 1 1
1 294 1 1 10 DT C6 C 6.236 2.220 24.929 1.00 . A A . 10 DT C6 1 1
1 295 1 1 10 DT C7 C 7.156 -0.104 24.651 1.00 . A A . 10 DT C7 1 1
1 296 1 1 10 DT H1' H 4.648 5.204 24.808 1.00 . A A . 10 DT H1' 1 1
1 297 1 1 10 DT H2' H 6.446 4.125 26.973 1.00 . A A . 10 DT H2' 1 1
1 298 1 1 10 DT H2'' H 5.248 5.439 26.968 1.00 . A A . 10 DT H2'' 1 1
1 299 1 1 10 DT H3 H 2.683 1.135 24.581 1.00 . A A . 10 DT H3 1 1
1 300 1 1 10 DT H3' H 8.091 5.620 26.676 1.00 . A A . 10 DT H3' 1 1
1 301 1 1 10 DT H4' H 7.121 6.883 24.231 1.00 . A A . 10 DT H4' 1 1
1 302 1 1 10 DT H5' H 8.962 5.744 23.214 1.00 . A A . 10 DT H5' 1 1
1 303 1 1 10 DT H5'' H 9.512 6.340 24.787 1.00 . A A . 10 DT H5'' 1 1
1 304 1 1 10 DT H6 H 7.251 2.560 25.068 1.00 . A A . 10 DT H6 1 1
1 305 1 1 10 DT H71 H 7.076 -0.717 23.754 1.00 . A A . 10 DT H71 1 1
1 306 1 1 10 DT H72 H 8.124 0.397 24.664 1.00 . A A . 10 DT H72 1 1
1 307 1 1 10 DT H73 H 7.073 -0.794 25.491 1.00 . A A . 10 DT H73 1 1
1 308 1 1 10 DT N1 N 5.218 3.140 24.938 1.00 . A A . 10 DT N1 1 1
1 309 1 1 10 DT N3 N 3.652 1.420 24.588 1.00 . A A . 10 DT N3 1 1
1 310 1 1 10 DT O2 O 2.932 3.526 24.857 1.00 . A A . 10 DT O2 1 1
1 311 1 1 10 DT O3' O 6.876 7.287 26.574 1.00 . A A . 10 DT O3' 1 1
1 312 1 1 10 DT O4 O 4.234 -0.726 24.327 1.00 . A A . 10 DT O4 1 1
1 313 1 1 10 DT O4' O 6.553 4.929 24.091 1.00 . A A . 10 DT O4' 1 1
1 314 1 1 10 DT O5' O 9.253 4.311 24.693 1.00 . A A . 10 DT O5' 1 1
1 315 1 1 10 DT OP1 O 11.705 4.687 24.559 1.00 . A A . 10 DT OP1 1 1
1 316 1 1 10 DT OP2 O 10.777 2.337 24.848 1.00 . A A . 10 DT OP2 1 1
1 317 1 1 10 DT P P 10.659 3.695 24.253 1.00 . A A . 10 DT P 1 1
1 318 1 1 11 DC C1' C 2.295 4.954 28.850 1.00 . A A . 11 DC C1' 1 1
1 319 1 1 11 DC C2 C 1.771 2.564 28.331 1.00 . A A . 11 DC C2 1 1
1 320 1 1 11 DC C2' C 2.733 5.503 30.203 1.00 . A A . 11 DC C2' 1 1
1 321 1 1 11 DC C3' C 2.780 7.015 29.988 1.00 . A A . 11 DC C3' 1 1
1 322 1 1 11 DC C4 C 3.421 1.032 27.943 1.00 . A A . 11 DC C4 1 1
1 323 1 1 11 DC C4' C 2.906 7.161 28.465 1.00 . A A . 11 DC C4' 1 1
1 324 1 1 11 DC C5 C 4.448 1.960 28.231 1.00 . A A . 11 DC C5 1 1
1 325 1 1 11 DC C5' C 4.181 7.872 28.013 1.00 . A A . 11 DC C5' 1 1
1 326 1 1 11 DC C6 C 4.067 3.228 28.525 1.00 . A A . 11 DC C6 1 1
1 327 1 1 11 DC H1' H 1.210 5.033 28.780 1.00 . A A . 11 DC H1' 1 1
1 328 1 1 11 DC H2' H 3.729 5.149 30.472 1.00 . A A . 11 DC H2' 1 1
1 329 1 1 11 DC H2'' H 2.030 5.201 30.978 1.00 . A A . 11 DC H2'' 1 1
1 330 1 1 11 DC H3' H 3.657 7.445 30.471 1.00 . A A . 11 DC H3' 1 1
1 331 1 1 11 DC H4' H 2.050 7.723 28.092 1.00 . A A . 11 DC H4' 1 1
1 332 1 1 11 DC H41 H 4.677 -0.509 27.562 1.00 . A A . 11 DC H41 1 1
1 333 1 1 11 DC H42 H 2.953 -0.859 27.511 1.00 . A A . 11 DC H42 1 1
1 334 1 1 11 DC H5 H 5.488 1.671 28.195 1.00 . A A . 11 DC H5 1 1
1 335 1 1 11 DC H5' H 4.237 7.863 26.925 1.00 . A A . 11 DC H5' 1 1
1 336 1 1 11 DC H5'' H 4.104 8.910 28.339 1.00 . A A . 11 DC H5'' 1 1
1 337 1 1 11 DC H6 H 4.798 4.000 28.716 1.00 . A A . 11 DC H6 1 1
1 338 1 1 11 DC N1 N 2.736 3.549 28.591 1.00 . A A . 11 DC N1 1 1
1 339 1 1 11 DC N3 N 2.125 1.298 28.037 1.00 . A A . 11 DC N3 1 1
1 340 1 1 11 DC N4 N 3.715 -0.207 27.626 1.00 . A A . 11 DC N4 1 1
1 341 1 1 11 DC O2 O 0.556 2.785 28.421 1.00 . A A . 11 DC O2 1 1
1 342 1 1 11 DC O3' O 1.593 7.691 30.418 1.00 . A A . 11 DC O3' 1 1
1 343 1 1 11 DC O4' O 2.886 5.843 27.912 1.00 . A A . 11 DC O4' 1 1
1 344 1 1 11 DC O5' O 5.345 7.288 28.578 1.00 . A A . 11 DC O5' 1 1
1 345 1 1 11 DC OP1 O 6.875 9.210 28.175 1.00 . A A . 11 DC OP1 1 1
1 346 1 1 11 DC OP2 O 7.813 6.951 28.898 1.00 . A A . 11 DC OP2 1 1
1 347 1 1 11 DC P P 6.816 7.737 28.121 1.00 . A A . 11 DC P 1 1
1 348 1 1 12 DC C1' C -0.848 2.711 32.250 1.00 . A A . 12 DC C1' 1 1
1 349 1 1 12 DC C2 C 0.136 0.534 31.512 1.00 . A A . 12 DC C2 1 1
1 350 1 1 12 DC C2' C -0.955 2.988 33.764 1.00 . A A . 12 DC C2' 1 1
1 351 1 1 12 DC C3' C -0.900 4.501 33.905 1.00 . A A . 12 DC C3' 1 1
1 352 1 1 12 DC C4 C 2.401 0.206 31.308 1.00 . A A . 12 DC C4 1 1
1 353 1 1 12 DC C4' C -1.288 4.950 32.485 1.00 . A A . 12 DC C4' 1 1
1 354 1 1 12 DC C5 C 2.697 1.534 31.724 1.00 . A A . 12 DC C5 1 1
1 355 1 1 12 DC C5' C -0.819 6.354 32.084 1.00 . A A . 12 DC C5' 1 1
1 356 1 1 12 DC C6 C 1.637 2.337 32.030 1.00 . A A . 12 DC C6 1 1
1 357 1 1 12 DC H1' H -1.774 2.236 31.925 1.00 . A A . 12 DC H1' 1 1
1 358 1 1 12 DC H2' H -0.134 2.524 34.312 1.00 . A A . 12 DC H2' 1 1
1 359 1 1 12 DC H2'' H -1.895 2.600 34.155 1.00 . A A . 12 DC H2'' 1 1
1 360 1 1 12 DC H3' H 0.120 4.827 34.106 1.00 . A A . 12 DC H3' 1 1
1 361 1 1 12 DC H4' H -2.372 4.915 32.387 1.00 . A A . 12 DC H4' 1 1
1 362 1 1 12 DC H41 H 4.316 -0.286 31.073 1.00 . A A . 12 DC H41 1 1
1 363 1 1 12 DC H42 H 3.114 -1.538 30.684 1.00 . A A . 12 DC H42 1 1
1 364 1 1 12 DC H5 H 3.714 1.891 31.791 1.00 . A A . 12 DC H5 1 1
1 365 1 1 12 DC H5' H -0.893 6.472 31.003 1.00 . A A . 12 DC H5' 1 1
1 366 1 1 12 DC H5'' H -1.488 7.083 32.541 1.00 . A A . 12 DC H5'' 1 1
1 367 1 1 12 DC H6 H 1.797 3.353 32.361 1.00 . A A . 12 DC H6 1 1
1 368 1 1 12 DC HO3' H -1.556 5.771 35.262 1.00 . A A . 12 DC HO3' 1 1
1 369 1 1 12 DC N1 N 0.333 1.856 31.919 1.00 . A A . 12 DC N1 1 1
1 370 1 1 12 DC N3 N 1.167 -0.276 31.222 1.00 . A A . 12 DC N3 1 1
1 371 1 1 12 DC N4 N 3.362 -0.608 30.990 1.00 . A A . 12 DC N4 1 1
1 372 1 1 12 DC O2 O -0.993 0.037 31.434 1.00 . A A . 12 DC O2 1 1
1 373 1 1 12 DC O3' O -1.831 4.922 34.908 1.00 . A A . 12 DC O3' 1 1
1 374 1 1 12 DC O4' O -0.717 3.970 31.624 1.00 . A A . 12 DC O4' 1 1
1 375 1 1 12 DC O5' O 0.521 6.633 32.472 1.00 . A A . 12 DC O5' 1 1
1 376 1 1 12 DC OP1 O 0.281 9.093 32.020 1.00 . A A . 12 DC OP1 1 1
1 377 1 1 12 DC OP2 O 2.546 8.103 32.715 1.00 . A A . 12 DC OP2 1 1
1 378 1 1 12 DC P P 1.262 7.979 31.969 1.00 . A A . 12 DC P 1 1
1 379 2 2 1 DG C1' C -1.310 -7.911 31.037 1.00 . B B . 13 DG C1' 1 1
1 380 2 2 1 DG C2 C -0.756 -3.590 31.136 1.00 . B B . 13 DG C2 1 1
1 381 2 2 1 DG C2' C -2.463 -7.784 30.036 1.00 . B B . 13 DG C2' 1 1
1 382 2 2 1 DG C3' C -2.182 -8.875 29.020 1.00 . B B . 13 DG C3' 1 1
1 383 2 2 1 DG C4 C -0.102 -5.693 30.727 1.00 . B B . 13 DG C4 1 1
1 384 2 2 1 DG C4' C -1.599 -9.956 29.946 1.00 . B B . 13 DG C4' 1 1
1 385 2 2 1 DG C5 C 1.171 -5.320 30.359 1.00 . B B . 13 DG C5 1 1
1 386 2 2 1 DG C5' C -0.626 -10.927 29.249 1.00 . B B . 13 DG C5' 1 1
1 387 2 2 1 DG C6 C 1.507 -3.925 30.400 1.00 . B B . 13 DG C6 1 1
1 388 2 2 1 DG C8 C 1.092 -7.460 30.196 1.00 . B B . 13 DG C8 1 1
1 389 2 2 1 DG H1 H 0.670 -2.135 30.910 1.00 . B B . 13 DG H1 1 1
1 390 2 2 1 DG H1' H -1.656 -7.613 32.027 1.00 . B B . 13 DG H1' 1 1
1 391 2 2 1 DG H2' H -2.501 -6.802 29.564 1.00 . B B . 13 DG H2' 1 1
1 392 2 2 1 DG H2'' H -3.392 -7.986 30.569 1.00 . B B . 13 DG H2'' 1 1
1 393 2 2 1 DG H21 H -2.626 -3.022 31.612 1.00 . B B . 13 DG H21 1 1
1 394 2 2 1 DG H22 H -1.438 -1.732 31.484 1.00 . B B . 13 DG H22 1 1
1 395 2 2 1 DG H3' H -1.410 -8.548 28.323 1.00 . B B . 13 DG H3' 1 1
1 396 2 2 1 DG H4' H -2.432 -10.513 30.374 1.00 . B B . 13 DG H4' 1 1
1 397 2 2 1 DG H5' H -0.192 -11.583 30.003 1.00 . B B . 13 DG H5' 1 1
1 398 2 2 1 DG H5'' H -1.202 -11.570 28.584 1.00 . B B . 13 DG H5'' 1 1
1 399 2 2 1 DG H8 H 1.344 -8.497 30.032 1.00 . B B . 13 DG H8 1 1
1 400 2 2 1 DG HO5' H 0.958 -10.937 28.079 1.00 . B B . 13 DG HO5' 1 1
1 401 2 2 1 DG N1 N 0.465 -3.116 30.789 1.00 . B B . 13 DG N1 1 1
1 402 2 2 1 DG N2 N -1.679 -2.712 31.450 1.00 . B B . 13 DG N2 1 1
1 403 2 2 1 DG N3 N -1.123 -4.875 31.119 1.00 . B B . 13 DG N3 1 1
1 404 2 2 1 DG N7 N 1.933 -6.459 30.023 1.00 . B B . 13 DG N7 1 1
1 405 2 2 1 DG N9 N -0.146 -7.072 30.636 1.00 . B B . 13 DG N9 1 1
1 406 2 2 1 DG O3' O -3.378 -9.319 28.392 1.00 . B B . 13 DG O3' 1 1
1 407 2 2 1 DG O4' O -0.927 -9.277 31.014 1.00 . B B . 13 DG O4' 1 1
1 408 2 2 1 DG O5' O 0.409 -10.273 28.503 1.00 . B B . 13 DG O5' 1 1
1 409 2 2 1 DG O6 O 2.570 -3.362 30.170 1.00 . B B . 13 DG O6 1 1
1 410 2 2 2 DG C1' C -4.188 -3.674 28.142 1.00 . B B . 14 DG C1' 1 1
1 411 2 2 2 DG C2 C -1.367 -0.315 28.164 1.00 . B B . 14 DG C2 1 1
1 412 2 2 2 DG C2' C -4.895 -4.028 26.843 1.00 . B B . 14 DG C2' 1 1
1 413 2 2 2 DG C3' C -6.190 -4.665 27.342 1.00 . B B . 14 DG C3' 1 1
1 414 2 2 2 DG C4 C -1.958 -2.473 27.955 1.00 . B B . 14 DG C4 1 1
1 415 2 2 2 DG C4' C -5.698 -5.379 28.609 1.00 . B B . 14 DG C4' 1 1
1 416 2 2 2 DG C5 C -0.676 -2.880 27.672 1.00 . B B . 14 DG C5 1 1
1 417 2 2 2 DG C5' C -5.401 -6.883 28.418 1.00 . B B . 14 DG C5' 1 1
1 418 2 2 2 DG C6 C 0.383 -1.911 27.644 1.00 . B B . 14 DG C6 1 1
1 419 2 2 2 DG C8 C -1.876 -4.623 27.635 1.00 . B B . 14 DG C8 1 1
1 420 2 2 2 DG H1 H 0.640 0.110 27.935 1.00 . B B . 14 DG H1 1 1
1 421 2 2 2 DG H1' H -4.557 -2.706 28.480 1.00 . B B . 14 DG H1' 1 1
1 422 2 2 2 DG H2' H -4.327 -4.740 26.245 1.00 . B B . 14 DG H2' 1 1
1 423 2 2 2 DG H2'' H -5.085 -3.116 26.276 1.00 . B B . 14 DG H2'' 1 1
1 424 2 2 2 DG H21 H -2.658 1.182 28.443 1.00 . B B . 14 DG H21 1 1
1 425 2 2 2 DG H22 H -0.959 1.644 28.372 1.00 . B B . 14 DG H22 1 1
1 426 2 2 2 DG H3' H -6.588 -5.405 26.647 1.00 . B B . 14 DG H3' 1 1
1 427 2 2 2 DG H4' H -6.476 -5.295 29.369 1.00 . B B . 14 DG H4' 1 1
1 428 2 2 2 DG H5' H -5.106 -7.321 29.372 1.00 . B B . 14 DG H5' 1 1
1 429 2 2 2 DG H5'' H -6.348 -7.366 28.174 1.00 . B B . 14 DG H5'' 1 1
1 430 2 2 2 DG H8 H -2.251 -5.631 27.535 1.00 . B B . 14 DG H8 1 1
1 431 2 2 2 DG N1 N -0.058 -0.620 27.942 1.00 . B B . 14 DG N1 1 1
1 432 2 2 2 DG N2 N -1.682 0.939 28.352 1.00 . B B . 14 DG N2 1 1
1 433 2 2 2 DG N3 N -2.356 -1.193 28.198 1.00 . B B . 14 DG N3 1 1
1 434 2 2 2 DG N7 N -0.635 -4.262 27.413 1.00 . B B . 14 DG N7 1 1
1 435 2 2 2 DG N9 N -2.733 -3.603 27.939 1.00 . B B . 14 DG N9 1 1
1 436 2 2 2 DG O3' O -7.207 -3.730 27.686 1.00 . B B . 14 DG O3' 1 1
1 437 2 2 2 DG O4' O -4.529 -4.715 29.068 1.00 . B B . 14 DG O4' 1 1
1 438 2 2 2 DG O5' O -4.397 -7.150 27.445 1.00 . B B . 14 DG O5' 1 1
1 439 2 2 2 DG O6 O 1.578 -2.069 27.424 1.00 . B B . 14 DG O6 1 1
1 440 2 2 2 DG OP1 O -5.167 -9.387 26.600 1.00 . B B . 14 DG OP1 1 1
1 441 2 2 2 DG OP2 O -2.836 -8.518 26.060 1.00 . B B . 14 DG OP2 1 1
1 442 2 2 2 DG P P -3.958 -8.656 27.031 1.00 . B B . 14 DG P 1 1
1 443 2 2 3 DA C1' C -4.259 0.321 24.992 1.00 . B B . 15 DA C1' 1 1
1 444 2 2 3 DA C2 C -0.073 1.492 24.975 1.00 . B B . 15 DA C2 1 1
1 445 2 2 3 DA C2' C -5.395 -0.019 24.034 1.00 . B B . 15 DA C2' 1 1
1 446 2 2 3 DA C3' C -6.558 0.690 24.722 1.00 . B B . 15 DA C3' 1 1
1 447 2 2 3 DA C4 C -1.760 0.045 24.798 1.00 . B B . 15 DA C4 1 1
1 448 2 2 3 DA C4' C -6.212 0.444 26.203 1.00 . B B . 15 DA C4' 1 1
1 449 2 2 3 DA C5 C -0.931 -1.022 24.514 1.00 . B B . 15 DA C5 1 1
1 450 2 2 3 DA C5' C -7.089 -0.652 26.856 1.00 . B B . 15 DA C5' 1 1
1 451 2 2 3 DA C6 C 0.442 -0.684 24.503 1.00 . B B . 15 DA C6 1 1
1 452 2 2 3 DA C8 C -2.915 -1.800 24.445 1.00 . B B . 15 DA C8 1 1
1 453 2 2 3 DA H1' H -4.015 1.381 24.917 1.00 . B B . 15 DA H1' 1 1
1 454 2 2 3 DA H2 H 0.283 2.499 25.137 1.00 . B B . 15 DA H2 1 1
1 455 2 2 3 DA H2' H -5.554 -1.096 23.991 1.00 . B B . 15 DA H2' 1 1
1 456 2 2 3 DA H2'' H -5.235 0.382 23.033 1.00 . B B . 15 DA H2'' 1 1
1 457 2 2 3 DA H3' H -7.498 0.199 24.470 1.00 . B B . 15 DA H3' 1 1
1 458 2 2 3 DA H4' H -6.350 1.367 26.766 1.00 . B B . 15 DA H4' 1 1
1 459 2 2 3 DA H5' H -6.625 -0.945 27.798 1.00 . B B . 15 DA H5' 1 1
1 460 2 2 3 DA H5'' H -8.067 -0.220 27.069 1.00 . B B . 15 DA H5'' 1 1
1 461 2 2 3 DA H61 H 1.210 -2.497 24.033 1.00 . B B . 15 DA H61 1 1
1 462 2 2 3 DA H62 H 2.385 -1.204 24.289 1.00 . B B . 15 DA H62 1 1
1 463 2 2 3 DA H8 H -3.775 -2.445 24.349 1.00 . B B . 15 DA H8 1 1
1 464 2 2 3 DA N1 N 0.854 0.570 24.745 1.00 . B B . 15 DA N1 1 1
1 465 2 2 3 DA N3 N -1.390 1.348 24.999 1.00 . B B . 15 DA N3 1 1
1 466 2 2 3 DA N6 N 1.432 -1.537 24.257 1.00 . B B . 15 DA N6 1 1
1 467 2 2 3 DA N7 N -1.670 -2.211 24.294 1.00 . B B . 15 DA N7 1 1
1 468 2 2 3 DA N9 N -3.029 -0.467 24.789 1.00 . B B . 15 DA N9 1 1
1 469 2 2 3 DA O3' O -6.602 2.083 24.407 1.00 . B B . 15 DA O3' 1 1
1 470 2 2 3 DA O4' O -4.836 0.073 26.259 1.00 . B B . 15 DA O4' 1 1
1 471 2 2 3 DA O5' O -7.286 -1.810 26.043 1.00 . B B . 15 DA O5' 1 1
1 472 2 2 3 DA OP1 O -9.367 -2.564 27.214 1.00 . B B . 15 DA OP1 1 1
1 473 2 2 3 DA OP2 O -8.278 -4.037 25.441 1.00 . B B . 15 DA OP2 1 1
1 474 2 2 3 DA P P -8.134 -3.060 26.562 1.00 . B B . 15 DA P 1 1
1 475 2 2 4 DC C1' C -2.543 4.332 22.055 1.00 . B B . 16 DC C1' 1 1
1 476 2 2 4 DC C2 C -0.669 2.739 21.734 1.00 . B B . 16 DC C2 1 1
1 477 2 2 4 DC C2' C -3.358 4.829 20.872 1.00 . B B . 16 DC C2' 1 1
1 478 2 2 4 DC C3' C -4.273 5.887 21.497 1.00 . B B . 16 DC C3' 1 1
1 479 2 2 4 DC C4 C -1.002 0.501 21.445 1.00 . B B . 16 DC C4 1 1
1 480 2 2 4 DC C4' C -4.381 5.418 22.960 1.00 . B B . 16 DC C4' 1 1
1 481 2 2 4 DC C5 C -2.412 0.620 21.566 1.00 . B B . 16 DC C5 1 1
1 482 2 2 4 DC C5' C -5.768 4.879 23.331 1.00 . B B . 16 DC C5' 1 1
1 483 2 2 4 DC C6 C -2.907 1.874 21.776 1.00 . B B . 16 DC C6 1 1
1 484 2 2 4 DC H1' H -1.708 5.005 22.248 1.00 . B B . 16 DC H1' 1 1
1 485 2 2 4 DC H2' H -3.977 4.046 20.433 1.00 . B B . 16 DC H2' 1 1
1 486 2 2 4 DC H2'' H -2.712 5.218 20.085 1.00 . B B . 16 DC H2'' 1 1
1 487 2 2 4 DC H3' H -5.243 5.859 21.001 1.00 . B B . 16 DC H3' 1 1
1 488 2 2 4 DC H4' H -4.140 6.254 23.617 1.00 . B B . 16 DC H4' 1 1
1 489 2 2 4 DC H41 H -1.048 -1.478 21.160 1.00 . B B . 16 DC H41 1 1
1 490 2 2 4 DC H42 H 0.556 -0.668 21.131 1.00 . B B . 16 DC H42 1 1
1 491 2 2 4 DC H5 H -3.084 -0.223 21.507 1.00 . B B . 16 DC H5 1 1
1 492 2 2 4 DC H5' H -5.766 4.670 24.401 1.00 . B B . 16 DC H5' 1 1
1 493 2 2 4 DC H5'' H -6.506 5.659 23.142 1.00 . B B . 16 DC H5'' 1 1
1 494 2 2 4 DC H6 H -3.973 2.009 21.880 1.00 . B B . 16 DC H6 1 1
1 495 2 2 4 DC N1 N -2.047 2.936 21.864 1.00 . B B . 16 DC N1 1 1
1 496 2 2 4 DC N3 N -0.157 1.499 21.523 1.00 . B B . 16 DC N3 1 1
1 497 2 2 4 DC N4 N -0.450 -0.666 21.222 1.00 . B B . 16 DC N4 1 1
1 498 2 2 4 DC O2 O 0.129 3.663 21.815 1.00 . B B . 16 DC O2 1 1
1 499 2 2 4 DC O3' O -3.696 7.195 21.504 1.00 . B B . 16 DC O3' 1 1
1 500 2 2 4 DC O4' O -3.422 4.381 23.186 1.00 . B B . 16 DC O4' 1 1
1 501 2 2 4 DC O5' O -6.063 3.702 22.585 1.00 . B B . 16 DC O5' 1 1
1 502 2 2 4 DC OP1 O -8.440 3.475 23.406 1.00 . B B . 16 DC OP1 1 1
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1 729 2 2 12 DC C1' C -9.765 -2.957 -2.127 1.00 . B B . 24 DC C1' 1 1
1 730 2 2 12 DC C2 C -8.498 -0.787 -1.949 1.00 . B B . 24 DC C2 1 1
1 731 2 2 12 DC C2' C -10.462 -3.352 -3.434 1.00 . B B . 24 DC C2' 1 1
1 732 2 2 12 DC C3' C -10.857 -4.821 -3.231 1.00 . B B . 24 DC C3' 1 1
1 733 2 2 12 DC C4 C -6.359 -0.573 -2.765 1.00 . B B . 24 DC C4 1 1
1 734 2 2 12 DC C4' C -10.320 -5.154 -1.833 1.00 . B B . 24 DC C4' 1 1
1 735 2 2 12 DC C5 C -6.317 -1.930 -3.205 1.00 . B B . 24 DC C5 1 1
1 736 2 2 12 DC C5' C -9.675 -6.550 -1.741 1.00 . B B . 24 DC C5' 1 1
1 737 2 2 12 DC C6 C -7.416 -2.689 -2.971 1.00 . B B . 24 DC C6 1 1
1 738 2 2 12 DC H1' H -10.464 -2.428 -1.479 1.00 . B B . 24 DC H1' 1 1
1 739 2 2 12 DC H2' H -9.789 -3.310 -4.290 1.00 . B B . 24 DC H2' 1 1
1 740 2 2 12 DC H2'' H -11.333 -2.727 -3.630 1.00 . B B . 24 DC H2'' 1 1
1 741 2 2 12 DC H3' H -10.376 -5.447 -3.983 1.00 . B B . 24 DC H3' 1 1
1 742 2 2 12 DC H4' H -11.142 -5.097 -1.119 1.00 . B B . 24 DC H4' 1 1
1 743 2 2 12 DC H41 H -4.517 -0.092 -3.407 1.00 . B B . 24 DC H41 1 1
1 744 2 2 12 DC H42 H -5.450 1.202 -2.659 1.00 . B B . 24 DC H42 1 1
1 745 2 2 12 DC H5 H -5.443 -2.383 -3.648 1.00 . B B . 24 DC H5 1 1
1 746 2 2 12 DC H5' H -9.291 -6.701 -0.732 1.00 . B B . 24 DC H5' 1 1
1 747 2 2 12 DC H5'' H -10.462 -7.278 -1.937 1.00 . B B . 24 DC H5'' 1 1
1 748 2 2 12 DC H6 H -7.444 -3.727 -3.269 1.00 . B B . 24 DC H6 1 1
1 749 2 2 12 DC HO3' H -12.557 -4.842 -4.214 1.00 . B B . 24 DC HO3' 1 1
1 750 2 2 12 DC N1 N -8.528 -2.141 -2.349 1.00 . B B . 24 DC N1 1 1
1 751 2 2 12 DC N3 N -7.395 -0.017 -2.166 1.00 . B B . 24 DC N3 1 1
1 752 2 2 12 DC N4 N -5.369 0.249 -2.986 1.00 . B B . 24 DC N4 1 1
1 753 2 2 12 DC O2 O -9.477 -0.255 -1.424 1.00 . B B . 24 DC O2 1 1
1 754 2 2 12 DC O3' O -12.278 -4.970 -3.304 1.00 . B B . 24 DC O3' 1 1
1 755 2 2 12 DC O4' O -9.358 -4.167 -1.521 1.00 . B B . 24 DC O4' 1 1
1 756 2 2 12 DC O5' O -8.609 -6.750 -2.688 1.00 . B B . 24 DC O5' 1 1
1 757 2 2 12 DC OP1 O -8.481 -9.204 -2.326 1.00 . B B . 24 DC OP1 1 1
1 758 2 2 12 DC OP2 O -6.802 -7.990 -3.820 1.00 . B B . 24 DC OP2 1 1
1 759 2 2 12 DC P P -7.648 -8.005 -2.607 1.00 . B B . 24 DC P 1 1
1 760 3 3 1 . C1 C 10.612 1.378 10.758 1.00 . C A . 25 2LE C1 1 1
1 761 3 3 1 . C2 C 9.144 1.061 10.950 1.00 . C A . 25 2LE C2 1 1
1 762 3 3 1 . C3 C 9.105 0.387 12.298 1.00 . C A . 25 2LE C3 1 1
1 763 3 3 1 . C4 C 10.275 1.063 13.029 1.00 . C A . 25 2LE C4 1 1
1 764 3 3 1 . C5 C 9.945 2.310 13.887 1.00 . C A . 25 2LE C5 1 1
1 765 3 3 1 . C6 C 9.662 1.969 15.338 1.00 . C A . 25 2LE C6 1 1
1 766 3 3 1 . C7 C 9.838 3.181 16.278 1.00 . C A . 25 2LE C7 1 1
1 767 3 3 1 . C8 C 9.121 4.465 15.865 1.00 . C A . 25 2LE C8 1 1
1 768 3 3 1 . C9 C 9.872 5.337 14.850 1.00 . C A . 25 2LE C9 1 1
1 769 3 3 1 . H1 H 10.774 2.308 10.212 1.00 . C A . 25 2LE H1 1 1
1 770 3 3 1 . H12 H 8.760 0.399 10.174 1.00 . C A . 25 2LE H12 1 1
1 771 3 3 1 . H15 H 9.061 2.817 13.501 1.00 . C A . 25 2LE H15 1 1
1 772 3 3 1 . H16 H 8.649 1.569 15.383 1.00 . C A . 25 2LE H16 1 1
1 773 3 3 1 . H17 H 10.901 3.365 16.432 1.00 . C A . 25 2LE H17 1 1
1 774 3 3 1 . H18 H 8.142 4.205 15.464 1.00 . C A . 25 2LE H18 1 1
1 775 3 3 1 . H19 H 10.921 5.395 15.140 1.00 . C A . 25 2LE H19 1 1
1 776 3 3 1 . H22 H 8.553 1.977 10.953 1.00 . C A . 25 2LE H22 1 1
1 777 3 3 1 . H25 H 10.804 2.980 13.897 1.00 . C A . 25 2LE H25 1 1
1 778 3 3 1 . H26 H 10.341 1.189 15.683 1.00 . C A . 25 2LE H26 1 1
1 779 3 3 1 . H27 H 9.442 2.881 17.248 1.00 . C A . 25 2LE H27 1 1
1 780 3 3 1 . H28 H 9.003 5.071 16.763 1.00 . C A . 25 2LE H28 1 1
1 781 3 3 1 . H29 H 9.813 4.885 13.860 1.00 . C A . 25 2LE H29 1 1
1 782 3 3 1 . H3 H 9.387 -0.656 12.151 1.00 . C A . 25 2LE H3 1 1
1 783 3 3 1 . H39 H 9.425 6.332 14.851 1.00 . C A . 25 2LE H39 1 1
1 784 3 3 1 . H4 H 10.778 0.318 13.646 1.00 . C A . 25 2LE H4 1 1
1 785 3 3 1 . HO1 H 12.249 0.448 10.408 1.00 . C A . 25 2LE HO1 1 1
1 786 3 3 1 . O1 O 11.330 0.303 10.172 1.00 . C A . 25 2LE O1 1 1
1 787 3 3 1 . O4 O 11.219 1.419 12.039 1.00 . C A . 25 2LE O4 1 1
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