NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
522049 |
2lar   |
17535 | cing | 4-filtered-FRED | STAR | entry | full | 281 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2lar
# This FRED archive file contains, for PDB entry <2lar>:
#
# - 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_2lar
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2lar
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 5549.29
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__AP_TP_GP_GP_TP_BGR_CP_TP_C__3___ A . 1 1
2 . 2 $RNA__5__R__GP_AP_GP_CP_AP_CP_CP_AP_U__3___ B . 1 1
stop_
save_
save_DNA__5__D__AP_TP_GP_GP_TP_BGR_CP_TP_C__3___
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "DNA 5 D AP TP GP GP TP BGR CP TP C 3 "
_Entity.Type polymer
_Entity.Polymer_type polydeoxyribonucleotide
_Entity.Polymer_seq_one_letter_code ATGGTXCTC
_Entity.Number_of_monomers 9
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 DA . 1 1
2 DT . 1 1
3 DG . 1 1
4 DG . 1 1
5 DT . 1 1
6 BGR $BGR 1 1
7 DC . 1 1
8 DT . 1 1
9 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
DA 1 1 1 1
DT 2 2 1 1
DG 3 3 1 1
DG 4 4 1 1
DT 5 5 1 1
BGR 6 6 1 1
DC 7 7 1 1
DT 8 8 1 1
DC 9 9 1 1
stop_
save_
save_RNA__5__R__GP_AP_GP_CP_AP_CP_CP_AP_U__3___
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "RNA 5 R GP AP GP CP AP CP CP AP U 3 "
_Entity.Type polymer
_Entity.Polymer_type polyribonucleotide
_Entity.Polymer_seq_one_letter_code GAGCACCAU
_Entity.Number_of_monomers 9
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 G . 1 2
2 A . 1 2
3 G . 1 2
4 C . 1 2
5 A . 1 2
6 C . 1 2
7 C . 1 2
8 A . 1 2
9 U . 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
G 1 1 1 2
A 2 2 1 2
G 3 3 1 2
C 4 4 1 2
A 5 5 1 2
C 6 6 1 2
C 7 7 1 2
A 8 8 1 2
U 9 9 1 2
stop_
save_
save_BGR
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID BGR
_Chem_comp.Type non-polymer
save_
save_AMBER_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
178 1 . . . 1 1
179 1 . . . 1 1
180 1 . . . 1 1
181 1 . . . 1 1
182 1 . . . 1 1
183 1 . . . 1 1
184 1 . . . 1 1
185 1 . . . 1 1
186 1 . . . 1 1
187 1 . . . 1 1
188 1 . . . 1 1
189 1 . . . 1 1
190 1 . . . 1 1
191 1 . . . 1 1
192 1 . . . 1 1
193 1 . . . 1 1
194 1 . . . 1 1
195 1 . . . 1 1
196 1 . . . 1 1
197 1 . . . 1 1
198 1 . . . 1 1
199 1 . . . 1 1
200 1 . . . 1 1
201 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 DA H1' . 1 . H1'' 1 1
1 1 2 1 1 1 DA H2 . 1 . H2 1 1
2 1 1 1 1 1 DA H1' . 1 . H1'' 1 1
2 1 2 1 1 1 DA Q2' . 1 . H2''1 1 1
3 1 1 1 1 1 DA H1' . 1 . H1'' 1 1
3 1 2 1 1 1 DA H3' . 1 . H3'' 1 1
4 1 1 1 1 1 DA H1' . 1 . H1'' 1 1
4 1 2 1 1 1 DA H4' . 1 . H4'' 1 1
5 1 1 1 1 1 DA H1' . 1 . H1'' 1 1
5 1 2 1 1 1 DA H8 . 1 . H8 1 1
6 1 1 1 1 1 DA H1' . 1 . H1'' 1 1
6 1 2 1 1 2 DT H6 . 2 . H6 1 1
7 1 1 1 1 1 DA H2 . 1 . H2 1 1
7 1 2 1 1 2 DT H1' . 2 . H1'' 1 1
8 1 1 1 1 1 DA H2 . 1 . H2 1 1
8 1 2 2 2 9 U H1' . 18 . H1'' 1 1
9 1 1 1 1 1 DA Q2' . 1 . H2''2 1 1
9 1 2 1 1 1 DA H3' . 1 . H3'' 1 1
10 1 1 1 1 1 DA Q2' . 1 . H2''1 1 1
10 1 2 1 1 1 DA H8 . 1 . H8 1 1
11 1 1 1 1 1 DA Q2' . 1 . H2''1 1 1
11 1 2 1 1 2 DT H6 . 2 . H6 1 1
12 1 1 1 1 1 DA H3' . 1 . H3'' 1 1
12 1 2 1 1 1 DA H8 . 1 . H8 1 1
13 1 1 1 1 1 DA H3' . 1 . H3'' 1 1
13 1 2 1 1 2 DT H6 . 2 . H6 1 1
14 1 1 1 1 1 DA H4' . 1 . H4'' 1 1
14 1 2 1 1 1 DA H8 . 1 . H8 1 1
15 1 1 1 1 1 DA N1 . 1 . N1 1 1
15 1 2 2 2 9 U N3 . 18 . N3 1 1
16 1 1 1 1 1 DA N6 . 1 . N6 1 1
16 1 2 2 2 9 U O4 . 18 . O4 1 1
17 1 1 1 1 2 DT H1' . 2 . H1'' 1 1
17 1 2 1 1 2 DT H2' . 2 . H2''1 1 1
18 1 1 1 1 2 DT H1' . 2 . H1'' 1 1
18 1 2 1 1 2 DT H3' . 2 . H3'' 1 1
19 1 1 1 1 2 DT H1' . 2 . H1'' 1 1
19 1 2 1 1 2 DT H4' . 2 . H4'' 1 1
20 1 1 1 1 2 DT H1' . 2 . H1'' 1 1
20 1 2 1 1 2 DT H6 . 2 . H6 1 1
21 1 1 1 1 2 DT H1' . 2 . H1'' 1 1
21 1 2 1 1 3 DG H8 . 3 . H8 1 1
22 1 1 1 1 2 DT H2' . 2 . H2''1 1 1
22 1 2 1 1 2 DT H3' . 2 . H3'' 1 1
23 1 1 1 1 2 DT H2' . 2 . H2''1 1 1
23 1 2 1 1 2 DT H6 . 2 . H6 1 1
24 1 1 1 1 2 DT H2' . 2 . H2''1 1 1
24 1 2 1 1 3 DG H8 . 3 . H8 1 1
25 1 1 1 1 2 DT H2'' . 2 . H2''2 1 1
25 1 2 1 1 2 DT H3' . 2 . H3'' 1 1
26 1 1 1 1 2 DT H2'' . 2 . H2''2 1 1
26 1 2 1 1 3 DG H8 . 3 . H8 1 1
27 1 1 1 1 2 DT H3' . 2 . H3'' 1 1
27 1 2 1 1 2 DT H4' . 2 . H4'' 1 1
28 1 1 1 1 2 DT H3' . 2 . H3'' 1 1
28 1 2 1 1 2 DT H6 . 2 . H6 1 1
29 1 1 1 1 2 DT H3' . 2 . H3'' 1 1
29 1 2 1 1 3 DG H8 . 3 . H8 1 1
30 1 1 1 1 2 DT N3 . 2 . N3 1 1
30 1 2 2 2 8 A N1 . 17 . N1 1 1
31 1 1 1 1 2 DT O4 . 2 . O4 1 1
31 1 2 2 2 8 A N6 . 17 . N6 1 1
32 1 1 1 1 3 DG H1 . 3 . H1 1 1
32 1 2 2 2 7 C H41 . 16 . H41 1 1
33 1 1 1 1 3 DG H1 . 3 . H1 1 1
33 1 2 2 2 7 C H42 . 16 . H42 1 1
34 1 1 1 1 3 DG H1 . 3 . H1 1 1
34 1 2 2 2 7 C H5 . 16 . H5 1 1
35 1 1 1 1 3 DG H1 . 3 . H1 1 1
35 1 2 2 2 8 A H1' . 17 . H1'' 1 1
36 1 1 1 1 3 DG H1 . 3 . H1 1 1
36 1 2 2 2 8 A H2 . 17 . H2 1 1
37 1 1 1 1 3 DG H1' . 3 . H1'' 1 1
37 1 2 1 1 3 DG H3' . 3 . H3'' 1 1
38 1 1 1 1 3 DG H1' . 3 . H1'' 1 1
38 1 2 1 1 3 DG H4' . 3 . H4'' 1 1
39 1 1 1 1 3 DG H1' . 3 . H1'' 1 1
39 1 2 1 1 3 DG H8 . 3 . H8 1 1
40 1 1 1 1 3 DG H3' . 3 . H3'' 1 1
40 1 2 1 1 3 DG H8 . 3 . H8 1 1
41 1 1 1 1 3 DG H3' . 3 . H3'' 1 1
41 1 2 1 1 4 DG H8 . 4 . H8 1 1
42 1 1 1 1 3 DG H4' . 3 . H4'' 1 1
42 1 2 1 1 3 DG H8 . 3 . H8 1 1
43 1 1 1 1 3 DG N1 . 3 . N1 1 1
43 1 2 2 2 7 C N3 . 16 . N3 1 1
44 1 1 1 1 3 DG N2 . 3 . N2 1 1
44 1 2 2 2 7 C O2 . 16 . O2 1 1
45 1 1 1 1 3 DG O6 . 3 . O6 1 1
45 1 2 2 2 7 C N4 . 16 . N4 1 1
46 1 1 1 1 4 DG H1' . 4 . H1'' 1 1
46 1 2 1 1 4 DG H4' . 4 . H4'' 1 1
47 1 1 1 1 4 DG H2' . 4 . H2''1 1 1
47 1 2 1 1 4 DG H3' . 4 . H3'' 1 1
48 1 1 1 1 4 DG H2' . 4 . H2''1 1 1
48 1 2 1 1 4 DG H8 . 4 . H8 1 1
49 1 1 1 1 4 DG H2' . 4 . H2''2 1 1
49 1 2 1 1 5 DT H6 . 5 . H6 1 1
50 1 1 1 1 4 DG H3' . 4 . H3'' 1 1
50 1 2 1 1 4 DG H8 . 4 . H8 1 1
51 1 1 1 1 4 DG H3' . 4 . H3'' 1 1
51 1 2 1 1 5 DT H6 . 5 . H6 1 1
52 1 1 1 1 4 DG H4' . 4 . H4'' 1 1
52 1 2 1 1 4 DG H8 . 4 . H8 1 1
53 1 1 1 1 4 DG H4' . 4 . H4'' 1 1
53 1 2 1 1 5 DT H6 . 5 . H6 1 1
54 1 1 1 1 4 DG N1 . 4 . N1 1 1
54 1 2 2 2 6 C N3 . 15 . N3 1 1
55 1 1 1 1 4 DG N2 . 4 . N2 1 1
55 1 2 2 2 6 C O2 . 15 . O2 1 1
56 1 1 1 1 4 DG O6 . 4 . O6 1 1
56 1 2 2 2 6 C N4 . 15 . N4 1 1
57 1 1 1 1 5 DT H1' . 5 . H1'' 1 1
57 1 2 1 1 5 DT H3' . 5 . H3'' 1 1
58 1 1 1 1 5 DT H2' . 5 . H2''1 1 1
58 1 2 1 1 5 DT H3' . 5 . H3'' 1 1
59 1 1 1 1 5 DT H2' . 5 . H2''1 1 1
59 1 2 1 1 6 BGR H8 . 6 . H8 1 1
60 1 1 1 1 5 DT H2'' . 5 . H2''2 1 1
60 1 2 1 1 5 DT H3' . 5 . H3'' 1 1
61 1 1 1 1 5 DT H2'' . 5 . H2''2 1 1
61 1 2 1 1 6 BGR H8 . 6 . H8 1 1
62 1 1 1 1 5 DT H3' . 5 . H3'' 1 1
62 1 2 1 1 5 DT H6 . 5 . H6 1 1
63 1 1 1 1 5 DT H3' . 5 . H3'' 1 1
63 1 2 1 1 6 BGR H8 . 6 . H8 1 1
64 1 1 1 1 5 DT H6 . 5 . H6 1 1
64 1 2 1 1 6 BGR H8 . 6 . H8 1 1
65 1 1 1 1 5 DT N3 . 5 . N3 1 1
65 1 2 2 2 5 A N1 . 14 . N1 1 1
66 1 1 1 1 5 DT O4 . 5 . O4 1 1
66 1 2 2 2 5 A N6 . 14 . N6 1 1
67 1 1 1 1 6 BGR H1' . 6 . H1'' 1 1
67 1 2 1 1 6 BGR H4' . 6 . H4'' 1 1
68 1 1 1 1 6 BGR H1' . 6 . H1'' 1 1
68 1 2 1 1 7 DC H5 . 7 . H5 1 1
69 1 1 1 1 6 BGR H3' . 6 . H3'' 1 1
69 1 2 1 1 6 BGR H8 . 6 . H8 1 1
70 1 1 1 1 6 BGR H4' . 6 . H4'' 1 1
70 1 2 1 1 6 BGR H8 . 6 . H8 1 1
71 1 1 1 1 6 BGR H8 . 6 . H8 1 1
71 1 2 1 1 7 DC H5 . 7 . H5 1 1
72 1 1 1 1 6 BGR N1 . 6 . N1 1 1
72 1 2 2 2 4 C N3 . 13 . N3 1 1
73 1 1 1 1 6 BGR N2 . 6 . N2 1 1
73 1 2 2 2 4 C O2 . 13 . O2 1 1
74 1 1 1 1 6 BGR O6 . 6 . O6 1 1
74 1 2 2 2 4 C N4 . 13 . N4 1 1
75 1 1 1 1 7 DC H1' . 7 . H1'' 1 1
75 1 2 1 1 7 DC H2'' . 7 . H2''1 1 1
76 1 1 1 1 7 DC H1' . 7 . H1'' 1 1
76 1 2 1 1 7 DC H3' . 7 . H3'' 1 1
77 1 1 1 1 7 DC H1' . 7 . H1'' 1 1
77 1 2 1 1 7 DC H4' . 7 . H4'' 1 1
78 1 1 1 1 7 DC H1' . 7 . H1'' 1 1
78 1 2 1 1 7 DC H6 . 7 . H6 1 1
79 1 1 1 1 7 DC H1' . 7 . H1'' 1 1
79 1 2 1 1 8 DT H6 . 8 . H6 1 1
80 1 1 1 1 7 DC H2'' . 7 . H2''1 1 1
80 1 2 1 1 7 DC H3' . 7 . H3'' 1 1
81 1 1 1 1 7 DC H2'' . 7 . H2''1 1 1
81 1 2 1 1 7 DC H6 . 7 . H6 1 1
82 1 1 1 1 7 DC H3' . 7 . H3'' 1 1
82 1 2 1 1 7 DC H5 . 7 . H5 1 1
83 1 1 1 1 7 DC H3' . 7 . H3'' 1 1
83 1 2 1 1 7 DC H6 . 7 . H6 1 1
84 1 1 1 1 7 DC H3' . 7 . H3'' 1 1
84 1 2 1 1 8 DT H6 . 8 . H6 1 1
85 1 1 1 1 7 DC H41 . 7 . H41 1 1
85 1 2 2 2 3 G H1 . 12 . H1 1 1
86 1 1 1 1 7 DC H42 . 7 . H42 1 1
86 1 2 2 2 3 G H1 . 12 . H1 1 1
87 1 1 1 1 7 DC N3 . 7 . N3 1 1
87 1 2 2 2 3 G N1 . 12 . N1 1 1
88 1 1 1 1 7 DC N4 . 7 . N4 1 1
88 1 2 2 2 3 G O6 . 12 . O6 1 1
89 1 1 1 1 7 DC O2 . 7 . O2 1 1
89 1 2 2 2 3 G N2 . 12 . N2 1 1
90 1 1 1 1 8 DT H1' . 8 . H1'' 1 1
90 1 2 1 1 8 DT H2' . 8 . H2''1 1 1
91 1 1 1 1 8 DT H1' . 8 . H1'' 1 1
91 1 2 1 1 8 DT H3' . 8 . H3'' 1 1
92 1 1 1 1 8 DT H1' . 8 . H1'' 1 1
92 1 2 1 1 8 DT H4' . 8 . H4'' 1 1
93 1 1 1 1 8 DT H1' . 8 . H1'' 1 1
93 1 2 1 1 8 DT H6 . 8 . H6 1 1
94 1 1 1 1 8 DT H1' . 8 . H1'' 1 1
94 1 2 1 1 9 DC H6 . 9 . H6 1 1
95 1 1 1 1 8 DT H2' . 8 . H2''1 1 1
95 1 2 1 1 8 DT H3' . 8 . H3'' 1 1
96 1 1 1 1 8 DT H2' . 8 . H2''1 1 1
96 1 2 1 1 9 DC H5 . 9 . H5 1 1
97 1 1 1 1 8 DT H2'' . 8 . H2''2 1 1
97 1 2 1 1 8 DT H3' . 8 . H3'' 1 1
98 1 1 1 1 8 DT H2'' . 8 . H2''2 1 1
98 1 2 1 1 9 DC H5 . 9 . H5 1 1
99 1 1 1 1 8 DT H3 . 8 . H3 1 1
99 1 2 2 2 2 A H2 . 11 . H2 1 1
100 1 1 1 1 8 DT H3 . 8 . H3 1 1
100 1 2 2 2 3 G H1 . 12 . H1 1 1
101 1 1 1 1 8 DT H3' . 8 . H3'' 1 1
101 1 2 1 1 8 DT H6 . 8 . H6 1 1
102 1 1 1 1 8 DT H4' . 8 . H4'' 1 1
102 1 2 1 1 8 DT H6 . 8 . H6 1 1
103 1 1 1 1 8 DT H6 . 8 . H6 1 1
103 1 2 1 1 9 DC H5 . 9 . H5 1 1
104 1 1 1 1 8 DT N3 . 8 . N3 1 1
104 1 2 2 2 2 A N1 . 11 . N1 1 1
105 1 1 1 1 8 DT O4 . 8 . O4 1 1
105 1 2 2 2 2 A N6 . 11 . N6 1 1
106 1 1 1 1 9 DC H1' . 9 . H1'' 1 1
106 1 2 1 1 9 DC Q2' . 9 . H2''1 1 1
107 1 1 1 1 9 DC H1' . 9 . H1'' 1 1
107 1 2 1 1 9 DC H3' . 9 . H3'' 1 1
108 1 1 1 1 9 DC H1' . 9 . H1'' 1 1
108 1 2 1 1 9 DC H4' . 9 . H4'' 1 1
109 1 1 1 1 9 DC H1' . 9 . H1'' 1 1
109 1 2 1 1 9 DC H6 . 9 . H6 1 1
110 1 1 1 1 9 DC H1' . 9 . H1'' 1 1
110 1 2 2 2 2 A H2 . 11 . H2 1 1
111 1 1 1 1 9 DC Q2' . 9 . H2''1 1 1
111 1 2 1 1 9 DC H3' . 9 . H3'' 1 1
112 1 1 1 1 9 DC Q2' . 9 . H2''1 1 1
112 1 2 1 1 9 DC H4' . 9 . H4'' 1 1
113 1 1 1 1 9 DC Q2' . 9 . H2''1 1 1
113 1 2 1 1 9 DC H6 . 9 . H6 1 1
114 1 1 1 1 9 DC N3 . 9 . N3 1 1
114 1 2 2 2 1 G N1 . 10 . N1 1 1
115 1 1 1 1 9 DC N4 . 9 . N4 1 1
115 1 2 2 2 1 G O6 . 10 . O6 1 1
116 1 1 1 1 9 DC O2 . 9 . O2 1 1
116 1 2 2 2 1 G N2 . 10 . N2 1 1
117 1 1 2 2 1 G H1' . 10 . H1'' 1 1
117 1 2 2 2 1 G H2' . 10 . H2''1 1 1
118 1 1 2 2 1 G H1' . 10 . H1'' 1 1
118 1 2 2 2 1 G H3' . 10 . H3'' 1 1
119 1 1 2 2 1 G H1' . 10 . H1'' 1 1
119 1 2 2 2 1 G H4' . 10 . H4'' 1 1
120 1 1 2 2 1 G H1' . 10 . H1'' 1 1
120 1 2 2 2 1 G H8 . 10 . H8 1 1
121 1 1 2 2 1 G H1' . 10 . H1'' 1 1
121 1 2 2 2 2 A H8 . 11 . H8 1 1
122 1 1 2 2 1 G H2' . 10 . H2''1 1 1
122 1 2 2 2 1 G H8 . 10 . H8 1 1
123 1 1 2 2 1 G H3' . 10 . H3'' 1 1
123 1 2 2 2 1 G H8 . 10 . H8 1 1
124 1 1 2 2 1 G H4' . 10 . H4'' 1 1
124 1 2 2 2 1 G H8 . 10 . H8 1 1
125 1 1 2 2 2 A H1' . 11 . H1'' 1 1
125 1 2 2 2 2 A H2 . 11 . H2 1 1
126 1 1 2 2 2 A H1' . 11 . H1'' 1 1
126 1 2 2 2 2 A H2' . 11 . H2''1 1 1
127 1 1 2 2 2 A H1' . 11 . H1'' 1 1
127 1 2 2 2 2 A H3' . 11 . H3'' 1 1
128 1 1 2 2 2 A H1' . 11 . H1'' 1 1
128 1 2 2 2 2 A H4' . 11 . H4'' 1 1
129 1 1 2 2 2 A H1' . 11 . H1'' 1 1
129 1 2 2 2 2 A H8 . 11 . H8 1 1
130 1 1 2 2 2 A H1' . 11 . H1'' 1 1
130 1 2 2 2 3 G H8 . 12 . H8 1 1
131 1 1 2 2 2 A H2 . 11 . H2 1 1
131 1 2 2 2 3 G H1' . 12 . H1'' 1 1
132 1 1 2 2 2 A H2' . 11 . H2''1 1 1
132 1 2 2 2 3 G H1' . 12 . H1'' 1 1
133 1 1 2 2 2 A H2' . 11 . H2''1 1 1
133 1 2 2 2 3 G H8 . 12 . H8 1 1
134 1 1 2 2 2 A H3' . 11 . H3'' 1 1
134 1 2 2 2 2 A H8 . 11 . H8 1 1
135 1 1 2 2 2 A H3' . 11 . H3'' 1 1
135 1 2 2 2 3 G H8 . 12 . H8 1 1
136 1 1 2 2 3 G H1 . 12 . H1 1 1
136 1 2 2 2 4 C H1' . 13 . H1'' 1 1
137 1 1 2 2 3 G H1' . 12 . H1'' 1 1
137 1 2 2 2 3 G H2' . 12 . H2''1 1 1
138 1 1 2 2 3 G H1' . 12 . H1'' 1 1
138 1 2 2 2 3 G H3' . 12 . H3'' 1 1
139 1 1 2 2 3 G H1' . 12 . H1'' 1 1
139 1 2 2 2 3 G H4' . 12 . H4'' 1 1
140 1 1 2 2 3 G H1' . 12 . H1'' 1 1
140 1 2 2 2 3 G H8 . 12 . H8 1 1
141 1 1 2 2 3 G H1' . 12 . H1'' 1 1
141 1 2 2 2 4 C H6 . 13 . H6 1 1
142 1 1 2 2 3 G H2' . 12 . H2''1 1 1
142 1 2 2 2 3 G H8 . 12 . H8 1 1
143 1 1 2 2 3 G H2' . 12 . H2''1 1 1
143 1 2 2 2 4 C H1' . 13 . H1'' 1 1
144 1 1 2 2 3 G H2' . 12 . H2''1 1 1
144 1 2 2 2 4 C H5 . 13 . H5 1 1
145 1 1 2 2 3 G H3' . 12 . H3'' 1 1
145 1 2 2 2 3 G H8 . 12 . H8 1 1
146 1 1 2 2 3 G H4' . 12 . H4'' 1 1
146 1 2 2 2 3 G H8 . 12 . H8 1 1
147 1 1 2 2 3 G H8 . 12 . H8 1 1
147 1 2 2 2 4 C H5 . 13 . H5 1 1
148 1 1 2 2 4 C H1' . 13 . H1'' 1 1
148 1 2 2 2 4 C H4' . 13 . H4'' 1 1
149 1 1 2 2 4 C H1' . 13 . H1'' 1 1
149 1 2 2 2 4 C H6 . 13 . H6 1 1
150 1 1 2 2 4 C H1' . 13 . H1'' 1 1
150 1 2 2 2 5 A H8 . 14 . H8 1 1
151 1 1 2 2 4 C H2' . 13 . H2''1 1 1
151 1 2 2 2 4 C H5 . 13 . H5 1 1
152 1 1 2 2 4 C H2' . 13 . H2''1 1 1
152 1 2 2 2 5 A H1' . 14 . H1'' 1 1
153 1 1 2 2 4 C H3' . 13 . H3'' 1 1
153 1 2 2 2 4 C H5 . 13 . H5 1 1
154 1 1 2 2 5 A H1' . 14 . H1'' 1 1
154 1 2 2 2 5 A H2 . 14 . H2 1 1
155 1 1 2 2 5 A H1' . 14 . H1'' 1 1
155 1 2 2 2 5 A H2' . 14 . H2''1 1 1
156 1 1 2 2 5 A H1' . 14 . H1'' 1 1
156 1 2 2 2 5 A H3' . 14 . H3'' 1 1
157 1 1 2 2 5 A H1' . 14 . H1'' 1 1
157 1 2 2 2 5 A H4' . 14 . H4'' 1 1
158 1 1 2 2 5 A H1' . 14 . H1'' 1 1
158 1 2 2 2 5 A H8 . 14 . H8 1 1
159 1 1 2 2 5 A H1' . 14 . H1'' 1 1
159 1 2 2 2 6 C H6 . 15 . H6 1 1
160 1 1 2 2 5 A H2 . 14 . H2 1 1
160 1 2 2 2 5 A H2' . 14 . H2''1 1 1
161 1 1 2 2 5 A H2 . 14 . H2 1 1
161 1 2 2 2 6 C H1' . 15 . H1'' 1 1
162 1 1 2 2 5 A H2' . 14 . H2''1 1 1
162 1 2 2 2 6 C H5 . 15 . H5 1 1
163 1 1 2 2 5 A H3' . 14 . H3'' 1 1
163 1 2 2 2 6 C H5 . 15 . H5 1 1
164 1 1 2 2 5 A H3' . 14 . H3'' 1 1
164 1 2 2 2 6 C H6 . 15 . H6 1 1
165 1 1 2 2 5 A H8 . 14 . H8 1 1
165 1 2 2 2 6 C H5 . 15 . H5 1 1
166 1 1 2 2 6 C H1' . 15 . H1'' 1 1
166 1 2 2 2 6 C H2' . 15 . H2''1 1 1
167 1 1 2 2 6 C H1' . 15 . H1'' 1 1
167 1 2 2 2 6 C H3' . 15 . H3'' 1 1
168 1 1 2 2 6 C H1' . 15 . H1'' 1 1
168 1 2 2 2 6 C H4' . 15 . H4'' 1 1
169 1 1 2 2 6 C H1' . 15 . H1'' 1 1
169 1 2 2 2 6 C H6 . 15 . H6 1 1
170 1 1 2 2 6 C H1' . 15 . H1'' 1 1
170 1 2 2 2 7 C H6 . 16 . H6 1 1
171 1 1 2 2 6 C H2' . 15 . H2''1 1 1
171 1 2 2 2 6 C H6 . 15 . H6 1 1
172 1 1 2 2 6 C H3' . 15 . H3'' 1 1
172 1 2 2 2 6 C H5 . 15 . H5 1 1
173 1 1 2 2 6 C H3' . 15 . H3'' 1 1
173 1 2 2 2 7 C H5 . 16 . H5 1 1
174 1 1 2 2 6 C H5 . 15 . H5 1 1
174 1 2 2 2 7 C H5 . 16 . H5 1 1
175 1 1 2 2 6 C H6 . 15 . H6 1 1
175 1 2 2 2 7 C H5 . 16 . H5 1 1
176 1 1 2 2 7 C H1' . 16 . H1'' 1 1
176 1 2 2 2 7 C H3' . 16 . H3'' 1 1
177 1 1 2 2 7 C H1' . 16 . H1'' 1 1
177 1 2 2 2 7 C H4' . 16 . H4'' 1 1
178 1 1 2 2 7 C H1' . 16 . H1'' 1 1
178 1 2 2 2 7 C H6 . 16 . H6 1 1
179 1 1 2 2 7 C H1' . 16 . H1'' 1 1
179 1 2 2 2 8 A H8 . 17 . H8 1 1
180 1 1 2 2 7 C H3' . 16 . H3'' 1 1
180 1 2 2 2 7 C H5 . 16 . H5 1 1
181 1 1 2 2 7 C H3' . 16 . H3'' 1 1
181 1 2 2 2 7 C H6 . 16 . H6 1 1
182 1 1 2 2 7 C H3' . 16 . H3'' 1 1
182 1 2 2 2 8 A H8 . 17 . H8 1 1
183 1 1 2 2 8 A H1' . 17 . H1'' 1 1
183 1 2 2 2 8 A H2 . 17 . H2 1 1
184 1 1 2 2 8 A H1' . 17 . H1'' 1 1
184 1 2 2 2 8 A H4' . 17 . H4'' 1 1
185 1 1 2 2 8 A H1' . 17 . H1'' 1 1
185 1 2 2 2 8 A H8 . 17 . H8 1 1
186 1 1 2 2 8 A H1' . 17 . H1'' 1 1
186 1 2 2 2 9 U H6 . 18 . H6 1 1
187 1 1 2 2 8 A H2 . 17 . H2 1 1
187 1 2 2 2 9 U H1' . 18 . H1'' 1 1
188 1 1 2 2 8 A H2' . 17 . H2''1 1 1
188 1 2 2 2 9 U H5 . 18 . H5 1 1
189 1 1 2 2 8 A H3' . 17 . H3'' 1 1
189 1 2 2 2 8 A H8 . 17 . H8 1 1
190 1 1 2 2 8 A H3' . 17 . H3'' 1 1
190 1 2 2 2 9 U H5 . 18 . H5 1 1
191 1 1 2 2 8 A H3' . 17 . H3'' 1 1
191 1 2 2 2 9 U H6 . 18 . H6 1 1
192 1 1 2 2 8 A H4' . 17 . H4'' 1 1
192 1 2 2 2 8 A H8 . 17 . H8 1 1
193 1 1 2 2 8 A H8 . 17 . H8 1 1
193 1 2 2 2 9 U H5 . 18 . H5 1 1
194 1 1 2 2 9 U H1' . 18 . H1'' 1 1
194 1 2 2 2 9 U H2' . 18 . H2''1 1 1
195 1 1 2 2 9 U H1' . 18 . H1'' 1 1
195 1 2 2 2 9 U H3' . 18 . H3'' 1 1
196 1 1 2 2 9 U H1' . 18 . H1'' 1 1
196 1 2 2 2 9 U H4' . 18 . H4'' 1 1
197 1 1 2 2 9 U H1' . 18 . H1'' 1 1
197 1 2 2 2 9 U H6 . 18 . H6 1 1
198 1 1 2 2 9 U H2' . 18 . H2''1 1 1
198 1 2 2 2 9 U H6 . 18 . H6 1 1
199 1 1 2 2 9 U H3' . 18 . H3'' 1 1
199 1 2 2 2 9 U H5 . 18 . H5 1 1
200 1 1 2 2 9 U H3' . 18 . H3'' 1 1
200 1 2 2 2 9 U H6 . 18 . H6 1 1
201 1 1 2 2 9 U H5 . 18 . H5 1 1
201 1 2 2 2 9 U H6 . 18 . 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 . . . . . 5.41 4.05 7.41 1 1
2 1 . . . . . 4.13 3.31 4.46 1 1
3 1 . . . . . 4.89 3.87 6.89 1 1
4 1 . . . . . 3.51 3.3 5.51 1 1
5 1 . . . . . 2.95 2.85 4.95 1 1
6 1 . . . . . 5.0 3.77 7.0 1 1
7 1 . . . . . 4.39 3.79 6.39 1 1
8 1 . . . . . 5.0 3.0 6.0 1 1
9 1 . . . . . 3.45 3.1 5.45 1 1
10 1 . . . . . . 3.9 4.92 1 1
11 1 . . . . . 2.89 2.78 4.89 1 1
12 1 . . . . . 4.58 3.8 6.58 1 1
13 1 . . . . . 4.35 3.53 6.35 1 1
14 1 . . . . . 5.19 4.08 7.19 1 1
15 1 . . . . . 2.92 2.72 3.42 1 1
16 1 . . . . . 3.05 2.85 3.55 1 1
17 1 . . . . . 3.71 3.13 5.71 1 1
18 1 . . . . . 4.57 3.64 6.57 1 1
19 1 . . . . . 2.96 2.88 4.96 1 1
20 1 . . . . . 3.43 3.11 5.43 1 1
21 1 . . . . . 3.16 3.04 5.16 1 1
22 1 . . . . . 2.37 2.24 4.37 1 1
23 1 . . . . . 2.05 1.93 4.05 1 1
24 1 . . . . . 4.36 3.27 6.36 1 1
25 1 . . . . . 3.82 3.2 5.82 1 1
26 1 . . . . . 2.61 2.49 4.61 1 1
27 1 . . . . . 2.77 2.67 4.77 1 1
28 1 . . . . . 5.1 3.69 7.1 1 1
29 1 . . . . . 4.33 3.54 6.33 1 1
30 1 . . . . . 2.92 2.72 3.42 1 1
31 1 . . . . . 3.05 2.85 3.55 1 1
32 1 . . . . . 5.0 2.0 6.0 1 1
33 1 . . . . . 5.0 2.0 6.0 1 1
34 1 . . . . . 5.0 2.0 6.0 1 1
35 1 . . . . . 5.5 2.0 6.0 1 1
36 1 . . . . . 5.0 2.0 6.0 1 1
37 1 . . . . . 4.75 3.86 6.75 1 1
38 1 . . . . . 3.03 2.89 5.03 1 1
39 1 . . . . . 3.36 3.23 5.36 1 1
40 1 . . . . . 3.71 3.38 5.71 1 1
41 1 . . . . . 5.05 4.14 7.05 1 1
42 1 . . . . . 4.01 3.59 6.01 1 1
43 1 . . . . . 3.05 2.85 3.55 1 1
44 1 . . . . . 2.96 2.76 3.46 1 1
45 1 . . . . . 3.01 2.81 3.51 1 1
46 1 . . . . . 3.47 3.15 5.47 1 1
47 1 . . . . . 2.49 2.41 4.49 1 1
48 1 . . . . . 2.75 2.67 4.75 1 1
49 1 . . . . . 2.72 2.57 4.72 1 1
50 1 . . . . . 3.53 3.34 5.53 1 1
51 1 . . . . . 3.45 3.15 5.45 1 1
52 1 . . . . . 4.23 3.71 6.23 1 1
53 1 . . . . . 4.83 3.66 6.83 1 1
54 1 . . . . . 3.05 2.85 3.55 1 1
55 1 . . . . . 2.96 2.76 3.46 1 1
56 1 . . . . . 3.01 2.81 3.51 1 1
57 1 . . . . . 4.2 3.65 6.2 1 1
58 1 . . . . . 2.61 2.51 4.61 1 1
59 1 . . . . . 2.99 2.83 4.99 1 1
60 1 . . . . . 3.4 2.86 5.4 1 1
61 1 . . . . . 3.07 2.82 5.07 1 1
62 1 . . . . . 3.05 2.96 5.05 1 1
63 1 . . . . . 4.05 3.62 6.05 1 1
64 1 . . . . . 3.85 3.43 5.85 1 1
65 1 . . . . . 3.05 2.85 3.55 1 1
66 1 . . . . . 3.05 2.85 3.55 1 1
67 1 . . . . . 3.1 2.85 5.1 1 1
68 1 . . . . . 5.68 4.34 7.68 1 1
69 1 . . . . . 3.39 3.23 5.39 1 1
70 1 . . . . . 3.89 3.59 5.89 1 1
71 1 . . . . . 4.19 3.66 6.19 1 1
72 1 . . . . . 3.05 2.85 3.55 1 1
73 1 . . . . . 2.96 2.76 3.46 1 1
74 1 . . . . . 3.01 2.81 3.51 1 1
75 1 . . . . . 3.16 2.66 4.22 1 1
76 1 . . . . . 4.23 3.55 6.23 1 1
77 1 . . . . . 2.93 2.85 4.93 1 1
78 1 . . . . . 3.78 3.22 5.78 1 1
79 1 . . . . . 4.98 3.86 6.98 1 1
80 1 . . . . . . 3.2 4.52 1 1
81 1 . . . . . 2.56 2.46 4.56 1 1
82 1 . . . . . 5.89 4.43 7.89 1 1
83 1 . . . . . 2.86 2.69 4.86 1 1
84 1 . . . . . 4.27 3.45 6.27 1 1
85 1 . . . . . 5.0 2.0 6.0 1 1
86 1 . . . . . 5.0 2.0 6.0 1 1
87 1 . . . . . 3.05 2.85 3.55 1 1
88 1 . . . . . 3.01 2.81 3.51 1 1
89 1 . . . . . 2.96 2.76 3.46 1 1
90 1 . . . . . 3.55 2.75 5.55 1 1
91 1 . . . . . 4.21 3.58 6.21 1 1
92 1 . . . . . 2.78 2.68 4.78 1 1
93 1 . . . . . 3.75 3.26 5.75 1 1
94 1 . . . . . 3.86 3.0 5.86 1 1
95 1 . . . . . 2.42 2.36 4.42 1 1
96 1 . . . . . 3.6 3.5 5.6 1 1
97 1 . . . . . 4.13 2.65 6.13 1 1
98 1 . . . . . 5.0 3.0 5.5 1 1
99 1 . . . . . 5.0 2.0 6.0 1 1
100 1 . . . . . 5.0 2.0 6.0 1 1
101 1 . . . . . 2.99 2.78 4.99 1 1
102 1 . . . . . 3.74 3.4 5.74 1 1
103 1 . . . . . 3.24 2.93 5.24 1 1
104 1 . . . . . 2.92 2.72 3.42 1 1
105 1 . . . . . 3.05 2.85 3.55 1 1
106 1 . . . . . . 3.24 4.23 1 1
107 1 . . . . . 4.28 3.61 6.28 1 1
108 1 . . . . . 2.98 2.88 4.98 1 1
109 1 . . . . . 3.7 3.19 5.7 1 1
110 1 . . . . . 3.89 3.52 5.89 1 1
111 1 . . . . . . 3.25 4.5 1 1
112 1 . . . . . . 4.36 5.24 1 1
113 1 . . . . . 2.29 2.17 4.29 1 1
114 1 . . . . . 3.05 2.85 3.55 1 1
115 1 . . . . . 3.01 2.81 3.51 1 1
116 1 . . . . . 2.96 2.76 3.46 1 1
117 1 . . . . . 2.66 2.59 4.66 1 1
118 1 . . . . . 4.11 3.59 6.11 1 1
119 1 . . . . . 3.39 3.24 5.39 1 1
120 1 . . . . . 3.43 3.27 5.43 1 1
121 1 . . . . . 3.6 3.38 5.6 1 1
122 1 . . . . . 2.94 2.83 4.94 1 1
123 1 . . . . . 3.0 2.92 5.0 1 1
124 1 . . . . . 4.1 3.71 6.1 1 1
125 1 . . . . . 4.74 3.95 6.74 1 1
126 1 . . . . . 2.59 2.51 4.5 1 1
127 1 . . . . . 4.32 3.8 6.32 1 1
128 1 . . . . . 3.26 3.14 5.26 1 1
129 1 . . . . . 3.36 3.21 5.36 1 1
130 1 . . . . . 4.29 3.57 6.29 1 1
131 1 . . . . . 3.13 3.03 5.13 1 1
132 1 . . . . . 4.5 2.5 5.5 1 1
133 1 . . . . . 2.37 2.3 4.37 1 1
134 1 . . . . . 2.66 2.54 4.66 1 1
135 1 . . . . . 3.36 3.03 5.36 1 1
136 1 . . . . . 5.0 2.0 6.0 1 1
137 1 . . . . . 2.69 2.54 4.69 1 1
138 1 . . . . . 3.47 3.27 5.47 1 1
139 1 . . . . . 3.18 3.0 5.18 1 1
140 1 . . . . . 3.32 3.2 5.32 1 1
141 1 . . . . . 4.44 3.62 6.44 1 1
142 1 . . . . . 3.59 3.32 5.59 1 1
143 1 . . . . . 3.86 3.56 5.86 1 1
144 1 . . . . . 3.56 3.13 5.56 1 1
145 1 . . . . . 2.77 2.6 4.77 1 1
146 1 . . . . . 4.0 2.9 5.0 1 1
147 1 . . . . . 4.37 3.65 6.37 1 1
148 1 . . . . . 3.36 3.17 5.36 1 1
149 1 . . . . . 3.5 3.32 5.5 1 1
150 1 . . . . . 3.69 3.41 5.69 1 1
151 1 . . . . . 4.6 3.68 6.6 1 1
152 1 . . . . . 3.83 3.49 5.83 1 1
153 1 . . . . . 4.63 3.71 6.63 1 1
154 1 . . . . . 5.01 4.11 7.01 1 1
155 1 . . . . . 2.59 2.54 4.59 1 1
156 1 . . . . . 3.91 3.48 5.91 1 1
157 1 . . . . . 3.4 3.2 5.4 1 1
158 1 . . . . . 3.43 3.27 5.43 1 1
159 1 . . . . . 6.24 4.78 8.24 1 1
160 1 . . . . . 5.34 4.09 7.34 1 1
161 1 . . . . . 3.26 3.15 5.26 1 1
162 1 . . . . . 4.31 3.57 6.31 1 1
163 1 . . . . . 4.01 3.54 6.01 1 1
164 1 . . . . . 3.2 2.97 5.2 1 1
165 1 . . . . . 3.88 3.42 5.88 1 1
166 1 . . . . . 2.6 2.56 4.6 1 1
167 1 . . . . . 4.13 3.65 6.13 1 1
168 1 . . . . . 3.45 3.28 5.45 1 1
169 1 . . . . . 3.4 3.16 5.4 1 1
170 1 . . . . . 5.74 4.22 7.74 1 1
171 1 . . . . . 3.95 3.34 5.95 1 1
172 1 . . . . . 4.72 3.69 6.72 1 1
173 1 . . . . . 3.67 3.3 5.67 1 1
174 1 . . . . . 4.04 3.75 6.04 1 1
175 1 . . . . . 4.67 3.8 6.67 1 1
176 1 . . . . . 3.35 3.17 5.35 1 1
177 1 . . . . . 3.75 3.5 5.75 1 1
178 1 . . . . . 3.76 3.37 5.76 1 1
179 1 . . . . . 5.15 3.92 7.15 1 1
180 1 . . . . . 5.73 4.4 7.73 1 1
181 1 . . . . . 2.32 2.28 4.32 1 1
182 1 . . . . . 2.69 2.58 4.69 1 1
183 1 . . . . . 4.28 3.61 6.28 1 1
184 1 . . . . . 3.32 3.17 5.32 1 1
185 1 . . . . . 3.34 3.19 5.34 1 1
186 1 . . . . . 5.21 4.18 7.21 1 1
187 1 . . . . . 4.16 3.77 6.16 1 1
188 1 . . . . . 3.67 3.13 5.67 1 1
189 1 . . . . . 2.49 2.43 4.49 1 1
190 1 . . . . . 4.49 3.75 6.49 1 1
191 1 . . . . . 3.5 3.17 5.5 1 1
192 1 . . . . . 4.12 3.37 6.12 1 1
193 1 . . . . . 3.93 3.48 5.93 1 1
194 1 . . . . . 2.89 2.84 4.89 1 1
195 1 . . . . . 3.21 3.1 5.21 1 1
196 1 . . . . . 4.02 3.64 6.02 1 1
197 1 . . . . . 4.07 3.56 6.07 1 1
198 1 . . . . . 3.09 2.9 5.09 1 1
199 1 . . . . . 5.08 3.75 7.08 1 1
200 1 . . . . . 2.58 2.47 4.58 1 1
201 1 . . . . . 2.62 2.45 4.62 1 1
stop_
save_
save_AMBER_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 1 DA O5' 1 1 1 DA C5' 1 1 1 DA C4' 1 1 1 DA C3' 30.499998 90.5 . 1 . O5'' . 1 . C5'' . 1 . C4'' . 1 . C3'' 1 1
2 . 1 1 1 DA C4' 1 1 1 DA C3' 1 1 1 DA O3' 1 1 2 DT P 188.0 198.0 . 1 . C4'' . 1 . C3'' . 1 . O3'' . 2 . P 1 1
3 . 1 1 1 DA C3' 1 1 1 DA O3' 1 1 2 DT P 1 1 2 DT O5' 150.2 315.2 . 1 . C3'' . 1 . O3'' . 2 . P . 2 . O5'' 1 1
4 . 1 1 1 DA O3' 1 1 2 DT P 1 1 2 DT O5' 1 1 2 DT C5' 270.3 330.29996 . 1 . O3'' . 2 . P . 2 . O5'' . 2 . C5'' 1 1
5 . 1 1 2 DT P 1 1 2 DT O5' 1 1 2 DT C5' 1 1 2 DT C4' 135.4 215.4 . 2 . P . 2 . O5'' . 2 . C5'' . 2 . C4'' 1 1
6 . 1 1 2 DT O5' 1 1 2 DT C5' 1 1 2 DT C4' 1 1 2 DT C3' 30.499998 90.5 . 2 . O5'' . 2 . C5'' . 2 . C4'' . 2 . C3'' 1 1
7 . 1 1 2 DT C4' 1 1 2 DT C3' 1 1 2 DT O3' 1 1 3 DG P 184.0 194.0 . 2 . C4'' . 2 . C3'' . 2 . O3'' . 3 . P 1 1
8 . 1 1 2 DT C3' 1 1 2 DT O3' 1 1 3 DG P 1 1 3 DG O5' 150.2 315.2 . 2 . C3'' . 2 . O3'' . 3 . P . 3 . O5'' 1 1
9 . 1 1 2 DT O3' 1 1 3 DG P 1 1 3 DG O5' 1 1 3 DG C5' 270.3 330.29996 . 2 . O3'' . 3 . P . 3 . O5'' . 3 . C5'' 1 1
10 . 1 1 3 DG P 1 1 3 DG O5' 1 1 3 DG C5' 1 1 3 DG C4' 135.4 215.4 . 3 . P . 3 . O5'' . 3 . C5'' . 3 . C4'' 1 1
11 . 1 1 3 DG O5' 1 1 3 DG C5' 1 1 3 DG C4' 1 1 3 DG C3' 30.499998 90.5 . 3 . O5'' . 3 . C5'' . 3 . C4'' . 3 . C3'' 1 1
12 . 1 1 3 DG C4' 1 1 3 DG C3' 1 1 3 DG O3' 1 1 4 DG P 178.0 188.0 . 3 . C4'' . 3 . C3'' . 3 . O3'' . 4 . P 1 1
13 . 1 1 3 DG C3' 1 1 3 DG O3' 1 1 4 DG P 1 1 4 DG O5' 150.2 315.2 . 3 . C3'' . 3 . O3'' . 4 . P . 4 . O5'' 1 1
14 . 1 1 3 DG O3' 1 1 4 DG P 1 1 4 DG O5' 1 1 4 DG C5' 270.3 330.29996 . 3 . O3'' . 4 . P . 4 . O5'' . 4 . C5'' 1 1
15 . 1 1 4 DG P 1 1 4 DG O5' 1 1 4 DG C5' 1 1 4 DG C4' 135.4 215.4 . 4 . P . 4 . O5'' . 4 . C5'' . 4 . C4'' 1 1
16 . 1 1 4 DG O5' 1 1 4 DG C5' 1 1 4 DG C4' 1 1 4 DG C3' 30.499998 90.5 . 4 . O5'' . 4 . C5'' . 4 . C4'' . 4 . C3'' 1 1
17 . 1 1 4 DG C3' 1 1 4 DG O3' 1 1 5 DT P 1 1 5 DT O5' 150.2 315.2 . 4 . C3'' . 4 . O3'' . 5 . P . 5 . O5'' 1 1
18 . 1 1 4 DG O3' 1 1 5 DT P 1 1 5 DT O5' 1 1 5 DT C5' 270.3 330.29996 . 4 . O3'' . 5 . P . 5 . O5'' . 5 . C5'' 1 1
19 . 1 1 5 DT P 1 1 5 DT O5' 1 1 5 DT C5' 1 1 5 DT C4' 135.4 215.4 . 5 . P . 5 . O5'' . 5 . C5'' . 5 . C4'' 1 1
20 . 1 1 5 DT O5' 1 1 5 DT C5' 1 1 5 DT C4' 1 1 5 DT C3' 30.499998 90.5 . 5 . O5'' . 5 . C5'' . 5 . C4'' . 5 . C3'' 1 1
21 . 1 1 5 DT C4' 1 1 5 DT C3' 1 1 5 DT O3' 1 1 6 BGR P 168.0 178.0 . 5 . C4'' . 5 . C3'' . 5 . O3'' . 6 . P 1 1
22 . 1 1 5 DT C3' 1 1 5 DT O3' 1 1 6 BGR P 1 1 6 BGR O5' 150.2 315.2 . 5 . C3'' . 5 . O3'' . 6 . P . 6 . O5'' 1 1
23 . 1 1 5 DT O3' 1 1 6 BGR P 1 1 6 BGR O5' 1 1 6 BGR C5' 270.3 330.29996 . 5 . O3'' . 6 . P . 6 . O5'' . 6 . C5'' 1 1
24 . 1 1 6 BGR P 1 1 6 BGR O5' 1 1 6 BGR C5' 1 1 6 BGR C4' 135.4 215.4 . 6 . P . 6 . O5'' . 6 . C5'' . 6 . C4'' 1 1
25 . 1 1 6 BGR O5' 1 1 6 BGR C5' 1 1 6 BGR C4' 1 1 6 BGR C3' 30.499998 90.5 . 6 . O5'' . 6 . C5'' . 6 . C4'' . 6 . C3'' 1 1
26 . 1 1 6 BGR C4' 1 1 6 BGR C3' 1 1 6 BGR O3' 1 1 7 DC P 190.0 200.0 . 6 . C4'' . 6 . C3'' . 6 . O3'' . 7 . P 1 1
27 . 1 1 6 BGR C3' 1 1 6 BGR O3' 1 1 7 DC P 1 1 7 DC O5' 150.2 315.2 . 6 . C3'' . 6 . O3'' . 7 . P . 7 . O5'' 1 1
28 . 1 1 6 BGR O3' 1 1 7 DC P 1 1 7 DC O5' 1 1 7 DC C5' 270.3 330.29996 . 6 . O3'' . 7 . P . 7 . O5'' . 7 . C5'' 1 1
29 . 1 1 7 DC P 1 1 7 DC O5' 1 1 7 DC C5' 1 1 7 DC C4' 135.4 215.4 . 7 . P . 7 . O5'' . 7 . C5'' . 7 . C4'' 1 1
30 . 1 1 7 DC O5' 1 1 7 DC C5' 1 1 7 DC C4' 1 1 7 DC C3' 30.499998 90.5 . 7 . O5'' . 7 . C5'' . 7 . C4'' . 7 . C3'' 1 1
31 . 1 1 7 DC C4' 1 1 7 DC C3' 1 1 7 DC O3' 1 1 8 DT P 188.0 198.0 . 7 . C4'' . 7 . C3'' . 7 . O3'' . 8 . P 1 1
32 . 1 1 7 DC C3' 1 1 7 DC O3' 1 1 8 DT P 1 1 8 DT O5' 150.2 315.2 . 7 . C3'' . 7 . O3'' . 8 . P . 8 . O5'' 1 1
33 . 1 1 7 DC O3' 1 1 8 DT P 1 1 8 DT O5' 1 1 8 DT C5' 270.3 330.29996 . 7 . O3'' . 8 . P . 8 . O5'' . 8 . C5'' 1 1
34 . 1 1 8 DT P 1 1 8 DT O5' 1 1 8 DT C5' 1 1 8 DT C4' 135.4 215.4 . 8 . P . 8 . O5'' . 8 . C5'' . 8 . C4'' 1 1
35 . 1 1 8 DT O5' 1 1 8 DT C5' 1 1 8 DT C4' 1 1 8 DT C3' 30.499998 90.5 . 8 . O5'' . 8 . C5'' . 8 . C4'' . 8 . C3'' 1 1
36 . 1 1 8 DT C4' 1 1 8 DT C3' 1 1 8 DT O3' 1 1 9 DC P 184.0 194.0 . 8 . C4'' . 8 . C3'' . 8 . O3'' . 9 . P 1 1
37 . 1 1 8 DT C3' 1 1 8 DT O3' 1 1 9 DC P 1 1 9 DC O5' 150.2 315.2 . 8 . C3'' . 8 . O3'' . 9 . P . 9 . O5'' 1 1
38 . 1 1 8 DT O3' 1 1 9 DC P 1 1 9 DC O5' 1 1 9 DC C5' 270.3 330.29996 . 8 . O3'' . 9 . P . 9 . O5'' . 9 . C5'' 1 1
39 . 1 1 9 DC P 1 1 9 DC O5' 1 1 9 DC C5' 1 1 9 DC C4' 135.4 215.4 . 9 . P . 9 . O5'' . 9 . C5'' . 9 . C4'' 1 1
40 . 1 1 9 DC O5' 1 1 9 DC C5' 1 1 9 DC C4' 1 1 9 DC C3' 30.499998 90.5 . 9 . O5'' . 9 . C5'' . 9 . C4'' . 9 . C3'' 1 1
41 . 2 2 1 G C4' 2 2 1 G C3' 2 2 1 G O3' 2 2 2 A P 199.1 219.1 . 10 . C4'' . 10 . C3'' . 10 . O3'' . 11 . P 1 1
42 . 2 2 1 G C3' 2 2 1 G O3' 2 2 2 A P 2 2 2 A O5' 150.2 315.2 . 10 . C3'' . 10 . O3'' . 11 . P . 11 . O5'' 1 1
43 . 2 2 1 G O3' 2 2 2 A P 2 2 2 A O5' 2 2 2 A C5' 270.3 330.29996 . 10 . O3'' . 11 . P . 11 . O5'' . 11 . C5'' 1 1
44 . 2 2 2 A P 2 2 2 A O5' 2 2 2 A C5' 2 2 2 A C4' 135.4 215.4 . 11 . P . 11 . O5'' . 11 . C5'' . 11 . C4'' 1 1
45 . 2 2 2 A O5' 2 2 2 A C5' 2 2 2 A C4' 2 2 2 A C3' 30.499998 90.5 . 11 . O5'' . 11 . C5'' . 11 . C4'' . 11 . C3'' 1 1
46 . 2 2 2 A C4' 2 2 2 A C3' 2 2 2 A O3' 2 2 3 G P 199.1 219.1 . 11 . C4'' . 11 . C3'' . 11 . O3'' . 12 . P 1 1
47 . 2 2 2 A C3' 2 2 2 A O3' 2 2 3 G P 2 2 3 G O5' 150.2 315.2 . 11 . C3'' . 11 . O3'' . 12 . P . 12 . O5'' 1 1
48 . 2 2 2 A O3' 2 2 3 G P 2 2 3 G O5' 2 2 3 G C5' 270.3 330.29996 . 11 . O3'' . 12 . P . 12 . O5'' . 12 . C5'' 1 1
49 . 2 2 3 G P 2 2 3 G O5' 2 2 3 G C5' 2 2 3 G C4' 135.4 215.4 . 12 . P . 12 . O5'' . 12 . C5'' . 12 . C4'' 1 1
50 . 2 2 3 G O5' 2 2 3 G C5' 2 2 3 G C4' 2 2 3 G C3' 30.499998 90.5 . 12 . O5'' . 12 . C5'' . 12 . C4'' . 12 . C3'' 1 1
51 . 2 2 3 G C4' 2 2 3 G C3' 2 2 3 G O3' 2 2 4 C P 199.1 219.1 . 12 . C4'' . 12 . C3'' . 12 . O3'' . 13 . P 1 1
52 . 2 2 3 G C3' 2 2 3 G O3' 2 2 4 C P 2 2 4 C O5' 150.2 315.2 . 12 . C3'' . 12 . O3'' . 13 . P . 13 . O5'' 1 1
53 . 2 2 3 G O3' 2 2 4 C P 2 2 4 C O5' 2 2 4 C C5' 270.3 330.29996 . 12 . O3'' . 13 . P . 13 . O5'' . 13 . C5'' 1 1
54 . 2 2 4 C P 2 2 4 C O5' 2 2 4 C C5' 2 2 4 C C4' 135.4 215.4 . 13 . P . 13 . O5'' . 13 . C5'' . 13 . C4'' 1 1
55 . 2 2 4 C O5' 2 2 4 C C5' 2 2 4 C C4' 2 2 4 C C3' 30.499998 90.5 . 13 . O5'' . 13 . C5'' . 13 . C4'' . 13 . C3'' 1 1
56 . 2 2 4 C C4' 2 2 4 C C3' 2 2 4 C O3' 2 2 5 A P 199.1 209.1 . 13 . C4'' . 13 . C3'' . 13 . O3'' . 14 . P 1 1
57 . 2 2 4 C C3' 2 2 4 C O3' 2 2 5 A P 2 2 5 A O5' 150.2 315.2 . 13 . C3'' . 13 . O3'' . 14 . P . 14 . O5'' 1 1
58 . 2 2 4 C O3' 2 2 5 A P 2 2 5 A O5' 2 2 5 A C5' 270.3 330.29996 . 13 . O3'' . 14 . P . 14 . O5'' . 14 . C5'' 1 1
59 . 2 2 5 A P 2 2 5 A O5' 2 2 5 A C5' 2 2 5 A C4' 135.4 215.4 . 14 . P . 14 . O5'' . 14 . C5'' . 14 . C4'' 1 1
60 . 2 2 5 A O5' 2 2 5 A C5' 2 2 5 A C4' 2 2 5 A C3' 30.499998 90.5 . 14 . O5'' . 14 . C5'' . 14 . C4'' . 14 . C3'' 1 1
61 . 2 2 5 A C4' 2 2 5 A C3' 2 2 5 A O3' 2 2 6 C P 203.0 213.0 . 14 . C4'' . 14 . C3'' . 14 . O3'' . 15 . P 1 1
62 . 2 2 5 A C3' 2 2 5 A O3' 2 2 6 C P 2 2 6 C O5' 150.2 315.2 . 14 . C3'' . 14 . O3'' . 15 . P . 15 . O5'' 1 1
63 . 2 2 5 A O3' 2 2 6 C P 2 2 6 C O5' 2 2 6 C C5' 270.3 330.29996 . 14 . O3'' . 15 . P . 15 . O5'' . 15 . C5'' 1 1
64 . 2 2 6 C P 2 2 6 C O5' 2 2 6 C C5' 2 2 6 C C4' 135.4 215.4 . 15 . P . 15 . O5'' . 15 . C5'' . 15 . C4'' 1 1
65 . 2 2 6 C O5' 2 2 6 C C5' 2 2 6 C C4' 2 2 6 C C3' 30.499998 90.5 . 15 . O5'' . 15 . C5'' . 15 . C4'' . 15 . C3'' 1 1
66 . 2 2 6 C C4' 2 2 6 C C3' 2 2 6 C O3' 2 2 7 C P 199.1 219.1 . 15 . C4'' . 15 . C3'' . 15 . O3'' . 16 . P 1 1
67 . 2 2 6 C C3' 2 2 6 C O3' 2 2 7 C P 2 2 7 C O5' 150.2 315.2 . 15 . C3'' . 15 . O3'' . 16 . P . 16 . O5'' 1 1
68 . 2 2 6 C O3' 2 2 7 C P 2 2 7 C O5' 2 2 7 C C5' 270.3 330.29996 . 15 . O3'' . 16 . P . 16 . O5'' . 16 . C5'' 1 1
69 . 2 2 7 C P 2 2 7 C O5' 2 2 7 C C5' 2 2 7 C C4' 135.4 215.4 . 16 . P . 16 . O5'' . 16 . C5'' . 16 . C4'' 1 1
70 . 2 2 7 C O5' 2 2 7 C C5' 2 2 7 C C4' 2 2 7 C C3' 30.499998 90.5 . 16 . O5'' . 16 . C5'' . 16 . C4'' . 16 . C3'' 1 1
71 . 2 2 7 C C4' 2 2 7 C C3' 2 2 7 C O3' 2 2 8 A P 198.0 208.0 . 16 . C4'' . 16 . C3'' . 16 . O3'' . 17 . P 1 1
72 . 2 2 7 C C3' 2 2 7 C O3' 2 2 8 A P 2 2 8 A O5' 150.2 315.2 . 16 . C3'' . 16 . O3'' . 17 . P . 17 . O5'' 1 1
73 . 2 2 7 C O3' 2 2 8 A P 2 2 8 A O5' 2 2 8 A C5' 270.3 330.29996 . 16 . O3'' . 17 . P . 17 . O5'' . 17 . C5'' 1 1
74 . 2 2 8 A P 2 2 8 A O5' 2 2 8 A C5' 2 2 8 A C4' 135.4 215.4 . 17 . P . 17 . O5'' . 17 . C5'' . 17 . C4'' 1 1
75 . 2 2 8 A O5' 2 2 8 A C5' 2 2 8 A C4' 2 2 8 A C3' 30.499998 90.5 . 17 . O5'' . 17 . C5'' . 17 . C4'' . 17 . C3'' 1 1
76 . 2 2 8 A C4' 2 2 8 A C3' 2 2 8 A O3' 2 2 9 U P 202.0 212.0 . 17 . C4'' . 17 . C3'' . 17 . O3'' . 18 . P 1 1
77 . 2 2 8 A C3' 2 2 8 A O3' 2 2 9 U P 2 2 9 U O5' 150.2 315.2 . 17 . C3'' . 17 . O3'' . 18 . P . 18 . O5'' 1 1
78 . 2 2 8 A O3' 2 2 9 U P 2 2 9 U O5' 2 2 9 U C5' 270.3 330.29996 . 17 . O3'' . 18 . P . 18 . O5'' . 18 . C5'' 1 1
79 . 2 2 9 U P 2 2 9 U O5' 2 2 9 U C5' 2 2 9 U C4' 135.4 215.4 . 18 . P . 18 . O5'' . 18 . C5'' . 18 . C4'' 1 1
80 . 2 2 9 U O5' 2 2 9 U C5' 2 2 9 U C4' 2 2 9 U C3' 30.499998 90.5 . 18 . O5'' . 18 . C5'' . 18 . C4'' . 18 . C3'' 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 DA C1' C 35.250 19.553 22.092 1.00 . A A . 1 DA C1' 1 1
1 2 1 1 1 DA C2 C 34.517 23.281 24.411 1.00 . A A . 1 DA C2 1 1
1 3 1 1 1 DA C2' C 33.989 18.831 22.589 1.00 . A A . 1 DA C2' 1 1
1 4 1 1 1 DA C3' C 34.065 17.421 21.990 1.00 . A A . 1 DA C3' 1 1
1 5 1 1 1 DA C4 C 34.619 22.001 22.602 1.00 . A A . 1 DA C4 1 1
1 6 1 1 1 DA C4' C 35.098 17.582 20.863 1.00 . A A . 1 DA C4' 1 1
1 7 1 1 1 DA C5 C 33.977 22.923 21.810 1.00 . A A . 1 DA C5 1 1
1 8 1 1 1 DA C5' C 34.504 17.402 19.453 1.00 . A A . 1 DA C5' 1 1
1 9 1 1 1 DA C6 C 33.586 24.095 22.503 1.00 . A A . 1 DA C6 1 1
1 10 1 1 1 DA C8 C 34.385 21.277 20.579 1.00 . A A . 1 DA C8 1 1
1 11 1 1 1 DA H1' H 36.048 19.564 22.812 1.00 . A A . 1 DA H1' 1 1
1 12 1 1 1 DA H2 H 34.848 23.500 25.408 1.00 . A A . 1 DA H2 1 1
1 13 1 1 1 DA H2' H 33.051 19.290 22.216 1.00 . A A . 1 DA H2' 1 1
1 14 1 1 1 DA H2'' H 34.035 18.841 23.689 1.00 . A A . 1 DA H2'' 1 1
1 15 1 1 1 DA H3' H 33.111 17.095 21.540 1.00 . A A . 1 DA H3' 1 1
1 16 1 1 1 DA H4' H 35.868 16.821 20.997 1.00 . A A . 1 DA H4' 1 1
1 17 1 1 1 DA H5' H 35.310 17.534 18.729 1.00 . A A . 1 DA H5' 1 1
1 18 1 1 1 DA H5'' H 34.141 16.378 19.368 1.00 . A A . 1 DA H5'' 1 1
1 19 1 1 1 DA H61 H 32.724 25.922 22.518 1.00 . A A . 1 DA H61 1 1
1 20 1 1 1 DA H62 H 32.661 25.047 20.990 1.00 . A A . 1 DA H62 1 1
1 21 1 1 1 DA H8 H 34.474 20.490 19.864 1.00 . A A . 1 DA H8 1 1
1 22 1 1 1 DA HO5' H 33.404 18.361 18.150 1.00 . A A . 1 DA HO5' 1 1
1 23 1 1 1 DA N1 N 33.874 24.257 23.790 1.00 . A A . 1 DA N1 1 1
1 24 1 1 1 DA N3 N 34.925 22.113 23.924 1.00 . A A . 1 DA N3 1 1
1 25 1 1 1 DA N6 N 32.924 25.102 21.965 1.00 . A A . 1 DA N6 1 1
1 26 1 1 1 DA N7 N 33.837 22.449 20.493 1.00 . A A . 1 DA N7 1 1
1 27 1 1 1 DA N9 N 34.872 20.933 21.784 1.00 . A A . 1 DA N9 1 1
1 28 1 1 1 DA O3' O 34.518 16.484 22.964 1.00 . A A . 1 DA O3' 1 1
1 29 1 1 1 DA O4' O 35.714 18.861 20.941 1.00 . A A . 1 DA O4' 1 1
1 30 1 1 1 DA O5' O 33.439 18.297 19.130 1.00 . A A . 1 DA O5' 1 1
1 31 1 1 2 DT C1' C 32.550 20.011 27.177 1.00 . A A . 2 DT C1' 1 1
1 32 1 1 2 DT C2 C 31.971 22.376 26.627 1.00 . A A . 2 DT C2 1 1
1 33 1 1 2 DT C2' C 31.628 18.819 27.445 1.00 . A A . 2 DT C2' 1 1
1 34 1 1 2 DT C3' C 32.623 17.742 27.937 1.00 . A A . 2 DT C3' 1 1
1 35 1 1 2 DT C4 C 30.804 22.896 24.535 1.00 . A A . 2 DT C4 1 1
1 36 1 1 2 DT C4' C 33.915 18.172 27.217 1.00 . A A . 2 DT C4' 1 1
1 37 1 1 2 DT C5 C 30.999 21.500 24.153 1.00 . A A . 2 DT C5 1 1
1 38 1 1 2 DT C5' C 34.386 17.146 26.169 1.00 . A A . 2 DT C5' 1 1
1 39 1 1 2 DT C6 C 31.522 20.618 25.040 1.00 . A A . 2 DT C6 1 1
1 40 1 1 2 DT C7 C 30.684 21.033 22.747 1.00 . A A . 2 DT C7 1 1
1 41 1 1 2 DT H1' H 32.937 20.530 28.045 1.00 . A A . 2 DT H1' 1 1
1 42 1 1 2 DT H2' H 31.200 18.466 26.504 1.00 . A A . 2 DT H2' 1 1
1 43 1 1 2 DT H2'' H 30.797 19.106 28.096 1.00 . A A . 2 DT H2'' 1 1
1 44 1 1 2 DT H3 H 31.255 24.194 26.058 1.00 . A A . 2 DT H3 1 1
1 45 1 1 2 DT H3' H 32.363 16.740 27.601 1.00 . A A . 2 DT H3' 1 1
1 46 1 1 2 DT H4' H 34.700 18.281 27.964 1.00 . A A . 2 DT H4' 1 1
1 47 1 1 2 DT H5' H 35.252 17.552 25.643 1.00 . A A . 2 DT H5' 1 1
1 48 1 1 2 DT H5'' H 34.691 16.233 26.683 1.00 . A A . 2 DT H5'' 1 1
1 49 1 1 2 DT H6 H 31.722 19.593 24.785 1.00 . A A . 2 DT H6 1 1
1 50 1 1 2 DT H71 H 31.341 21.563 22.057 1.00 . A A . 2 DT H71 1 1
1 51 1 1 2 DT H72 H 30.846 19.959 22.644 1.00 . A A . 2 DT H72 1 1
1 52 1 1 2 DT H73 H 29.650 21.272 22.505 1.00 . A A . 2 DT H73 1 1
1 53 1 1 2 DT N1 N 31.962 21.022 26.270 1.00 . A A . 2 DT N1 1 1
1 54 1 1 2 DT N3 N 31.324 23.230 25.766 1.00 . A A . 2 DT N3 1 1
1 55 1 1 2 DT O2 O 32.544 22.835 27.621 1.00 . A A . 2 DT O2 1 1
1 56 1 1 2 DT O3' O 32.763 17.684 29.351 1.00 . A A . 2 DT O3' 1 1
1 57 1 1 2 DT O4 O 30.248 23.765 23.864 1.00 . A A . 2 DT O4 1 1
1 58 1 1 2 DT O4' O 33.676 19.416 26.570 1.00 . A A . 2 DT O4' 1 1
1 59 1 1 2 DT O5' O 33.348 16.847 25.239 1.00 . A A . 2 DT O5' 1 1
1 60 1 1 2 DT OP1 O 34.221 14.602 24.554 1.00 . A A . 2 DT OP1 1 1
1 61 1 1 2 DT OP2 O 32.199 15.642 23.434 1.00 . A A . 2 DT OP2 1 1
1 62 1 1 2 DT P P 33.537 15.811 24.043 1.00 . A A . 2 DT P 1 1
1 63 1 1 3 DG C1' C 29.899 21.432 32.357 1.00 . A A . 3 DG C1' 1 1
1 64 1 1 3 DG C2 C 28.546 25.236 30.424 1.00 . A A . 3 DG C2 1 1
1 65 1 1 3 DG C2' C 28.688 20.539 32.649 1.00 . A A . 3 DG C2' 1 1
1 66 1 1 3 DG C3' C 29.237 19.228 33.206 1.00 . A A . 3 DG C3' 1 1
1 67 1 1 3 DG C4 C 29.400 23.147 30.495 1.00 . A A . 3 DG C4 1 1
1 68 1 1 3 DG C4' C 30.755 19.455 33.142 1.00 . A A . 3 DG C4' 1 1
1 69 1 1 3 DG C5 C 29.372 22.991 29.123 1.00 . A A . 3 DG C5 1 1
1 70 1 1 3 DG C5' C 31.516 18.316 32.456 1.00 . A A . 3 DG C5' 1 1
1 71 1 1 3 DG C6 C 28.849 24.077 28.330 1.00 . A A . 3 DG C6 1 1
1 72 1 1 3 DG C8 C 30.167 21.174 29.915 1.00 . A A . 3 DG C8 1 1
1 73 1 1 3 DG H1 H 28.059 25.953 28.555 1.00 . A A . 3 DG H1 1 1
1 74 1 1 3 DG H1' H 29.959 22.240 33.044 1.00 . A A . 3 DG H1' 1 1
1 75 1 1 3 DG H2' H 28.122 20.329 31.740 1.00 . A A . 3 DG H2' 1 1
1 76 1 1 3 DG H2'' H 28.049 21.038 33.370 1.00 . A A . 3 DG H2'' 1 1
1 77 1 1 3 DG H21 H 27.754 27.087 30.417 1.00 . A A . 3 DG H21 1 1
1 78 1 1 3 DG H22 H 28.120 26.411 31.995 1.00 . A A . 3 DG H22 1 1
1 79 1 1 3 DG H3' H 28.963 18.400 32.550 1.00 . A A . 3 DG H3' 1 1
1 80 1 1 3 DG H4' H 31.118 19.564 34.150 1.00 . A A . 3 DG H4' 1 1
1 81 1 1 3 DG H5' H 32.567 18.596 32.376 1.00 . A A . 3 DG H5' 1 1
1 82 1 1 3 DG H5'' H 31.439 17.429 33.087 1.00 . A A . 3 DG H5'' 1 1
1 83 1 1 3 DG H8 H 30.487 20.151 30.106 1.00 . A A . 3 DG H8 1 1
1 84 1 1 3 DG N1 N 28.460 25.175 29.071 1.00 . A A . 3 DG N1 1 1
1 85 1 1 3 DG N2 N 28.128 26.336 30.989 1.00 . A A . 3 DG N2 1 1
1 86 1 1 3 DG N3 N 29.013 24.256 31.210 1.00 . A A . 3 DG N3 1 1
1 87 1 1 3 DG N7 N 29.852 21.716 28.767 1.00 . A A . 3 DG N7 1 1
1 88 1 1 3 DG N9 N 29.871 21.944 30.986 1.00 . A A . 3 DG N9 1 1
1 89 1 1 3 DG O3' O 28.784 18.981 34.541 1.00 . A A . 3 DG O3' 1 1
1 90 1 1 3 DG O4' O 31.069 20.671 32.505 1.00 . A A . 3 DG O4' 1 1
1 91 1 1 3 DG O5' O 30.994 18.015 31.164 1.00 . A A . 3 DG O5' 1 1
1 92 1 1 3 DG O6 O 28.680 24.147 27.112 1.00 . A A . 3 DG O6 1 1
1 93 1 1 3 DG OP1 O 32.423 15.973 31.098 1.00 . A A . 3 DG OP1 1 1
1 94 1 1 3 DG OP2 O 30.631 16.359 29.332 1.00 . A A . 3 DG OP2 1 1
1 95 1 1 3 DG P P 31.672 16.912 30.235 1.00 . A A . 3 DG P 1 1
1 96 1 1 4 DG C1' C 25.304 23.469 33.458 1.00 . A A . 4 DG C1' 1 1
1 97 1 1 4 DG C2 C 24.621 25.840 29.834 1.00 . A A . 4 DG C2 1 1
1 98 1 1 4 DG C2' C 23.957 22.918 33.924 1.00 . A A . 4 DG C2' 1 1
1 99 1 1 4 DG C3' C 24.161 21.888 35.040 1.00 . A A . 4 DG C3' 1 1
1 100 1 1 4 DG C4 C 25.241 24.006 30.962 1.00 . A A . 4 DG C4 1 1
1 101 1 1 4 DG C4' C 25.651 22.059 35.257 1.00 . A A . 4 DG C4' 1 1
1 102 1 1 4 DG C5 C 25.473 23.265 29.822 1.00 . A A . 4 DG C5 1 1
1 103 1 1 4 DG C5' C 26.430 20.826 35.730 1.00 . A A . 4 DG C5' 1 1
1 104 1 1 4 DG C6 C 25.273 23.905 28.547 1.00 . A A . 4 DG C6 1 1
1 105 1 1 4 DG C8 C 25.740 21.945 31.466 1.00 . A A . 4 DG C8 1 1
1 106 1 1 4 DG H1 H 24.575 25.672 27.796 1.00 . A A . 4 DG H1 1 1
1 107 1 1 4 DG H1' H 25.399 24.554 33.601 1.00 . A A . 4 DG H1' 1 1
1 108 1 1 4 DG H2' H 23.531 22.435 33.064 1.00 . A A . 4 DG H2' 1 1
1 109 1 1 4 DG H2'' H 23.326 23.729 34.266 1.00 . A A . 4 DG H2'' 1 1
1 110 1 1 4 DG H21 H 23.807 27.430 28.908 1.00 . A A . 4 DG H21 1 1
1 111 1 1 4 DG H22 H 23.882 27.464 30.677 1.00 . A A . 4 DG H22 1 1
1 112 1 1 4 DG H3' H 23.889 20.874 34.736 1.00 . A A . 4 DG H3' 1 1
1 113 1 1 4 DG H4' H 25.632 22.770 36.058 1.00 . A A . 4 DG H4' 1 1
1 114 1 1 4 DG H5' H 27.474 21.113 35.853 1.00 . A A . 4 DG H5' 1 1
1 115 1 1 4 DG H5'' H 26.044 20.506 36.700 1.00 . A A . 4 DG H5'' 1 1
1 116 1 1 4 DG H8 H 25.831 21.062 32.086 1.00 . A A . 4 DG H8 1 1
1 117 1 1 4 DG N1 N 24.826 25.205 28.655 1.00 . A A . 4 DG N1 1 1
1 118 1 1 4 DG N2 N 24.117 27.039 29.793 1.00 . A A . 4 DG N2 1 1
1 119 1 1 4 DG N3 N 24.813 25.300 31.034 1.00 . A A . 4 DG N3 1 1
1 120 1 1 4 DG N7 N 25.804 21.945 30.161 1.00 . A A . 4 DG N7 1 1
1 121 1 1 4 DG N9 N 25.487 23.167 32.022 1.00 . A A . 4 DG N9 1 1
1 122 1 1 4 DG O3' O 23.583 22.222 36.296 1.00 . A A . 4 DG O3' 1 1
1 123 1 1 4 DG O4' O 26.275 22.727 34.168 1.00 . A A . 4 DG O4' 1 1
1 124 1 1 4 DG O5' O 26.328 19.764 34.793 1.00 . A A . 4 DG O5' 1 1
1 125 1 1 4 DG O6 O 25.436 23.456 27.412 1.00 . A A . 4 DG O6 1 1
1 126 1 1 4 DG OP1 O 27.251 17.943 36.238 1.00 . A A . 4 DG OP1 1 1
1 127 1 1 4 DG OP2 O 26.849 17.598 33.751 1.00 . A A . 4 DG OP2 1 1
1 128 1 1 4 DG P P 27.281 18.479 34.856 1.00 . A A . 4 DG P 1 1
1 129 1 1 5 DT C1' C 20.517 25.284 33.380 1.00 . A A . 5 DT C1' 1 1
1 130 1 1 5 DT C2 C 21.129 24.866 31.009 1.00 . A A . 5 DT C2 1 1
1 131 1 1 5 DT C2' C 19.162 24.798 33.879 1.00 . A A . 5 DT C2' 1 1
1 132 1 1 5 DT C3' C 19.158 24.723 35.411 1.00 . A A . 5 DT C3' 1 1
1 133 1 1 5 DT C4 C 21.715 22.623 30.218 1.00 . A A . 5 DT C4 1 1
1 134 1 1 5 DT C4' C 20.594 25.205 35.675 1.00 . A A . 5 DT C4' 1 1
1 135 1 1 5 DT C5 C 21.488 22.129 31.577 1.00 . A A . 5 DT C5 1 1
1 136 1 1 5 DT C5' C 21.290 24.241 36.628 1.00 . A A . 5 DT C5' 1 1
1 137 1 1 5 DT C6 C 21.167 23.008 32.573 1.00 . A A . 5 DT C6 1 1
1 138 1 1 5 DT C7 C 21.647 20.631 31.849 1.00 . A A . 5 DT C7 1 1
1 139 1 1 5 DT H1' H 20.436 26.314 33.024 1.00 . A A . 5 DT H1' 1 1
1 140 1 1 5 DT H2' H 19.019 23.806 33.495 1.00 . A A . 5 DT H2' 1 1
1 141 1 1 5 DT H2'' H 18.400 25.459 33.486 1.00 . A A . 5 DT H2'' 1 1
1 142 1 1 5 DT H3 H 21.474 24.286 29.066 1.00 . A A . 5 DT H3 1 1
1 143 1 1 5 DT H3' H 19.006 23.687 35.744 1.00 . A A . 5 DT H3' 1 1
1 144 1 1 5 DT H4' H 20.559 26.196 36.125 1.00 . A A . 5 DT H4' 1 1
1 145 1 1 5 DT H5' H 22.325 24.557 36.751 1.00 . A A . 5 DT H5' 1 1
1 146 1 1 5 DT H5'' H 20.801 24.282 37.600 1.00 . A A . 5 DT H5'' 1 1
1 147 1 1 5 DT H6 H 21.079 22.701 33.620 1.00 . A A . 5 DT H6 1 1
1 148 1 1 5 DT H71 H 22.630 20.281 31.526 1.00 . A A . 5 DT H71 1 1
1 149 1 1 5 DT H72 H 21.492 20.357 32.895 1.00 . A A . 5 DT H72 1 1
1 150 1 1 5 DT H73 H 20.922 20.088 31.243 1.00 . A A . 5 DT H73 1 1
1 151 1 1 5 DT N1 N 21.015 24.363 32.310 1.00 . A A . 5 DT N1 1 1
1 152 1 1 5 DT N3 N 21.477 23.967 30.025 1.00 . A A . 5 DT N3 1 1
1 153 1 1 5 DT O2 O 20.909 26.047 30.722 1.00 . A A . 5 DT O2 1 1
1 154 1 1 5 DT O3' O 18.203 25.585 36.035 1.00 . A A . 5 DT O3' 1 1
1 155 1 1 5 DT O4 O 22.117 21.959 29.267 1.00 . A A . 5 DT O4 1 1
1 156 1 1 5 DT O4' O 21.376 25.254 34.490 1.00 . A A . 5 DT O4' 1 1
1 157 1 1 5 DT O5' O 21.249 22.913 36.116 1.00 . A A . 5 DT O5' 1 1
1 158 1 1 5 DT OP1 O 22.089 21.967 38.237 1.00 . A A . 5 DT OP1 1 1
1 159 1 1 5 DT OP2 O 21.798 20.467 36.187 1.00 . A A . 5 DT OP2 1 1
1 160 1 1 5 DT P P 22.138 21.785 36.769 1.00 . A A . 5 DT P 1 1
1 161 1 1 6 BGR BP B 15.672 26.919 36.635 1.00 . A A . 6 BGR BP 1 1
1 162 1 1 6 BGR C1' C 16.278 24.891 30.248 1.00 . A A . 6 BGR C1' 1 1
1 163 1 1 6 BGR C2 C 17.678 23.170 26.496 1.00 . A A . 6 BGR C2 1 1
1 164 1 1 6 BGR C2' C 14.851 24.393 30.491 1.00 . A A . 6 BGR C2' 1 1
1 165 1 1 6 BGR C3' C 14.431 24.939 31.849 1.00 . A A . 6 BGR C3' 1 1
1 166 1 1 6 BGR C4 C 17.546 23.323 28.728 1.00 . A A . 6 BGR C4 1 1
1 167 1 1 6 BGR C4' C 15.587 25.887 32.155 1.00 . A A . 6 BGR C4' 1 1
1 168 1 1 6 BGR C5 C 18.335 22.218 28.973 1.00 . A A . 6 BGR C5 1 1
1 169 1 1 6 BGR C5' C 15.842 26.244 33.615 1.00 . A A . 6 BGR C5' 1 1
1 170 1 1 6 BGR C6 C 18.889 21.550 27.824 1.00 . A A . 6 BGR C6 1 1
1 171 1 1 6 BGR C8 C 17.639 22.888 30.877 1.00 . A A . 6 BGR C8 1 1
1 172 1 1 6 BGR H1' H 16.313 25.589 29.408 1.00 . A A . 6 BGR H1' 1 1
1 173 1 1 6 BGR H1BP H 16.068 27.966 36.136 1.00 . A A . 6 BGR H1BP 1 1
1 174 1 1 6 BGR H2' H 14.796 23.306 30.511 1.00 . A A . 6 BGR H2' 1 1
1 175 1 1 6 BGR H2'A H 14.217 24.790 29.704 1.00 . A A . 6 BGR H2'A 1 1
1 176 1 1 6 BGR H2BP H 15.750 27.031 37.848 1.00 . A A . 6 BGR H2BP 1 1
1 177 1 1 6 BGR H3' H 14.387 24.151 32.604 1.00 . A A . 6 BGR H3' 1 1
1 178 1 1 6 BGR H3BP H 14.471 26.867 36.421 1.00 . A A . 6 BGR H3BP 1 1
1 179 1 1 6 BGR H4' H 15.325 26.798 31.681 1.00 . A A . 6 BGR H4' 1 1
1 180 1 1 6 BGR H5' H 16.636 26.992 33.653 1.00 . A A . 6 BGR H5' 1 1
1 181 1 1 6 BGR H5'A H 14.932 26.695 34.002 1.00 . A A . 6 BGR H5'A 1 1
1 182 1 1 6 BGR H8 H 17.324 23.019 31.913 1.00 . A A . 6 BGR H8 1 1
1 183 1 1 6 BGR HN1 H 18.757 21.612 25.778 1.00 . A A . 6 BGR HN1 1 1
1 184 1 1 6 BGR HN2 H 17.514 22.883 24.505 1.00 . A A . 6 BGR HN2 1 1
1 185 1 1 6 BGR HN2A H 16.659 24.263 25.139 1.00 . A A . 6 BGR HN2A 1 1
1 186 1 1 6 BGR N1 N 18.486 22.093 26.620 1.00 . A A . 6 BGR N1 1 1
1 187 1 1 6 BGR N2 N 17.308 23.499 25.286 1.00 . A A . 6 BGR N2 1 1
1 188 1 1 6 BGR N3 N 17.184 23.860 27.519 1.00 . A A . 6 BGR N3 1 1
1 189 1 1 6 BGR N7 N 18.381 21.940 30.358 1.00 . A A . 6 BGR N7 1 1
1 190 1 1 6 BGR N9 N 17.157 23.767 29.961 1.00 . A A . 6 BGR N9 1 1
1 191 1 1 6 BGR O3' O 13.203 25.654 31.732 1.00 . A A . 6 BGR O3' 1 1
1 192 1 1 6 BGR O4' O 16.734 25.468 31.455 1.00 . A A . 6 BGR O4' 1 1
1 193 1 1 6 BGR O5' O 16.189 25.134 34.423 1.00 . A A . 6 BGR O5' 1 1
1 194 1 1 6 BGR O6 O 19.639 20.577 27.764 1.00 . A A . 6 BGR O6 1 1
1 195 1 1 6 BGR OP1 O 16.364 24.032 36.622 1.00 . A A . 6 BGR OP1 1 1
1 196 1 1 6 BGR P P 16.597 25.348 35.959 1.00 . A A . 6 BGR P 1 1
1 197 1 1 7 DC C1' C 13.196 23.129 26.673 1.00 . A A . 7 DC C1' 1 1
1 198 1 1 7 DC C2 C 14.880 21.339 26.307 1.00 . A A . 7 DC C2 1 1
1 199 1 1 7 DC C2' C 11.827 22.510 26.475 1.00 . A A . 7 DC C2' 1 1
1 200 1 1 7 DC C3' C 10.855 23.354 27.315 1.00 . A A . 7 DC C3' 1 1
1 201 1 1 7 DC C4 C 15.623 20.050 28.051 1.00 . A A . 7 DC C4 1 1
1 202 1 1 7 DC C4' C 11.704 24.573 27.674 1.00 . A A . 7 DC C4' 1 1
1 203 1 1 7 DC C5 C 14.746 20.687 28.972 1.00 . A A . 7 DC C5 1 1
1 204 1 1 7 DC C5' C 11.419 25.204 29.045 1.00 . A A . 7 DC C5' 1 1
1 205 1 1 7 DC C6 C 13.976 21.697 28.494 1.00 . A A . 7 DC C6 1 1
1 206 1 1 7 DC H1' H 13.603 23.559 25.760 1.00 . A A . 7 DC H1' 1 1
1 207 1 1 7 DC H2' H 11.847 21.486 26.855 1.00 . A A . 7 DC H2' 1 1
1 208 1 1 7 DC H2'' H 11.623 22.537 25.401 1.00 . A A . 7 DC H2'' 1 1
1 209 1 1 7 DC H3' H 10.538 22.863 28.250 1.00 . A A . 7 DC H3' 1 1
1 210 1 1 7 DC H4' H 11.526 25.323 26.903 1.00 . A A . 7 DC H4' 1 1
1 211 1 1 7 DC H41 H 17.010 18.673 27.729 1.00 . A A . 7 DC H41 1 1
1 212 1 1 7 DC H42 H 16.300 18.708 29.358 1.00 . A A . 7 DC H42 1 1
1 213 1 1 7 DC H5 H 14.645 20.351 29.993 1.00 . A A . 7 DC H5 1 1
1 214 1 1 7 DC H5' H 12.053 26.087 29.134 1.00 . A A . 7 DC H5' 1 1
1 215 1 1 7 DC H5'' H 10.378 25.522 29.076 1.00 . A A . 7 DC H5'' 1 1
1 216 1 1 7 DC H6 H 13.261 22.235 29.111 1.00 . A A . 7 DC H6 1 1
1 217 1 1 7 DC N1 N 14.104 22.089 27.193 1.00 . A A . 7 DC N1 1 1
1 218 1 1 7 DC N3 N 15.675 20.352 26.770 1.00 . A A . 7 DC N3 1 1
1 219 1 1 7 DC N4 N 16.397 19.080 28.424 1.00 . A A . 7 DC N4 1 1
1 220 1 1 7 DC O2 O 14.828 21.513 25.087 1.00 . A A . 7 DC O2 1 1
1 221 1 1 7 DC O3' O 9.762 23.774 26.509 1.00 . A A . 7 DC O3' 1 1
1 222 1 1 7 DC O4' O 13.063 24.183 27.601 1.00 . A A . 7 DC O4' 1 1
1 223 1 1 7 DC O5' O 11.676 24.340 30.149 1.00 . A A . 7 DC O5' 1 1
1 224 1 1 7 DC OP1 O 10.746 25.962 31.817 1.00 . A A . 7 DC OP1 1 1
1 225 1 1 7 DC OP2 O 11.808 23.773 32.574 1.00 . A A . 7 DC OP2 1 1
1 226 1 1 7 DC P P 11.788 24.920 31.638 1.00 . A A . 7 DC P 1 1
1 227 1 1 8 DT C1' C 11.531 19.448 23.029 1.00 . A A . 8 DT C1' 1 1
1 228 1 1 8 DT C2 C 12.957 17.745 24.128 1.00 . A A . 8 DT C2 1 1
1 229 1 1 8 DT C2' C 10.210 19.017 22.445 1.00 . A A . 8 DT C2' 1 1
1 230 1 1 8 DT C3' C 9.320 20.232 22.305 1.00 . A A . 8 DT C3' 1 1
1 231 1 1 8 DT C4 C 13.050 17.684 26.570 1.00 . A A . 8 DT C4 1 1
1 232 1 1 8 DT C4' C 10.252 21.338 22.802 1.00 . A A . 8 DT C4' 1 1
1 233 1 1 8 DT C5 C 11.845 18.525 26.585 1.00 . A A . 8 DT C5 1 1
1 234 1 1 8 DT C5' C 9.544 22.406 23.654 1.00 . A A . 8 DT C5' 1 1
1 235 1 1 8 DT C6 C 11.304 18.967 25.413 1.00 . A A . 8 DT C6 1 1
1 236 1 1 8 DT C7 C 11.253 18.971 27.915 1.00 . A A . 8 DT C7 1 1
1 237 1 1 8 DT H1' H 12.229 19.313 22.212 1.00 . A A . 8 DT H1' 1 1
1 238 1 1 8 DT H2' H 9.709 18.267 23.013 1.00 . A A . 8 DT H2' 1 1
1 239 1 1 8 DT H2'' H 10.465 18.617 21.474 1.00 . A A . 8 DT H2'' 1 1
1 240 1 1 8 DT H3 H 14.260 16.659 25.254 1.00 . A A . 8 DT H3 1 1
1 241 1 1 8 DT H3' H 8.473 20.175 22.997 1.00 . A A . 8 DT H3' 1 1
1 242 1 1 8 DT H4' H 10.684 21.776 21.936 1.00 . A A . 8 DT H4' 1 1
1 243 1 1 8 DT H5' H 10.219 23.252 23.796 1.00 . A A . 8 DT H5' 1 1
1 244 1 1 8 DT H5'' H 8.662 22.762 23.121 1.00 . A A . 8 DT H5'' 1 1
1 245 1 1 8 DT H6 H 10.446 19.643 25.351 1.00 . A A . 8 DT H6 1 1
1 246 1 1 8 DT H71 H 10.449 19.698 27.781 1.00 . A A . 8 DT H71 1 1
1 247 1 1 8 DT H72 H 10.893 18.118 28.488 1.00 . A A . 8 DT H72 1 1
1 248 1 1 8 DT H73 H 12.041 19.413 28.515 1.00 . A A . 8 DT H73 1 1
1 249 1 1 8 DT N1 N 11.907 18.661 24.218 1.00 . A A . 8 DT N1 1 1
1 250 1 1 8 DT N3 N 13.496 17.318 25.316 1.00 . A A . 8 DT N3 1 1
1 251 1 1 8 DT O2 O 13.392 17.310 23.063 1.00 . A A . 8 DT O2 1 1
1 252 1 1 8 DT O3' O 8.935 20.341 20.927 1.00 . A A . 8 DT O3' 1 1
1 253 1 1 8 DT O4 O 13.681 17.294 27.549 1.00 . A A . 8 DT O4 1 1
1 254 1 1 8 DT O4' O 11.395 20.798 23.430 1.00 . A A . 8 DT O4' 1 1
1 255 1 1 8 DT O5' O 9.157 21.878 24.922 1.00 . A A . 8 DT O5' 1 1
1 256 1 1 8 DT OP1 O 7.510 23.672 25.513 1.00 . A A . 8 DT OP1 1 1
1 257 1 1 8 DT OP2 O 8.241 21.948 27.247 1.00 . A A . 8 DT OP2 1 1
1 258 1 1 8 DT P P 8.566 22.809 26.087 1.00 . A A . 8 DT P 1 1
1 259 1 1 9 DC C1' C 11.186 14.900 21.624 1.00 . A A . 9 DC C1' 1 1
1 260 1 1 9 DC C2 C 12.143 14.168 23.854 1.00 . A A . 9 DC C2 1 1
1 261 1 1 9 DC C2' C 9.942 14.081 21.238 1.00 . A A . 9 DC C2' 1 1
1 262 1 1 9 DC C3' C 9.272 14.889 20.092 1.00 . A A . 9 DC C3' 1 1
1 263 1 1 9 DC C4 C 11.215 14.938 25.816 1.00 . A A . 9 DC C4 1 1
1 264 1 1 9 DC C4' C 10.228 16.069 19.833 1.00 . A A . 9 DC C4' 1 1
1 265 1 1 9 DC C5 C 10.239 15.703 25.125 1.00 . A A . 9 DC C5 1 1
1 266 1 1 9 DC C5' C 9.483 17.371 19.433 1.00 . A A . 9 DC C5' 1 1
1 267 1 1 9 DC C6 C 10.295 15.679 23.768 1.00 . A A . 9 DC C6 1 1
1 268 1 1 9 DC H1' H 12.140 14.498 21.235 1.00 . A A . 9 DC H1' 1 1
1 269 1 1 9 DC H2' H 9.234 13.959 22.109 1.00 . A A . 9 DC H2' 1 1
1 270 1 1 9 DC H2'' H 10.348 13.121 20.885 1.00 . A A . 9 DC H2'' 1 1
1 271 1 1 9 DC H3' H 8.293 15.306 20.392 1.00 . A A . 9 DC H3' 1 1
1 272 1 1 9 DC H4' H 10.925 15.837 19.002 1.00 . A A . 9 DC H4' 1 1
1 273 1 1 9 DC H41 H 12.120 14.664 27.577 1.00 . A A . 9 DC H41 1 1
1 274 1 1 9 DC H42 H 10.579 15.521 27.625 1.00 . A A . 9 DC H42 1 1
1 275 1 1 9 DC H5 H 9.512 16.306 25.651 1.00 . A A . 9 DC H5 1 1
1 276 1 1 9 DC H5' H 10.234 18.151 19.298 1.00 . A A . 9 DC H5' 1 1
1 277 1 1 9 DC H5'' H 9.018 17.207 18.460 1.00 . A A . 9 DC H5'' 1 1
1 278 1 1 9 DC H6 H 9.680 16.254 23.093 1.00 . A A . 9 DC H6 1 1
1 279 1 1 9 DC HO3' H 8.449 13.379 19.162 1.00 . A A . 9 DC HO3' 1 1
1 280 1 1 9 DC N1 N 11.247 14.954 23.117 1.00 . A A . 9 DC N1 1 1
1 281 1 1 9 DC N3 N 12.136 14.209 25.212 1.00 . A A . 9 DC N3 1 1
1 282 1 1 9 DC N4 N 11.293 15.014 27.113 1.00 . A A . 9 DC N4 1 1
1 283 1 1 9 DC O2 O 12.947 13.406 23.313 1.00 . A A . 9 DC O2 1 1
1 284 1 1 9 DC O3' O 9.116 14.064 18.946 1.00 . A A . 9 DC O3' 1 1
1 285 1 1 9 DC O4' O 10.976 16.192 21.045 1.00 . A A . 9 DC O4' 1 1
1 286 1 1 9 DC O5' O 8.470 17.832 20.347 1.00 . A A . 9 DC O5' 1 1
1 287 1 1 9 DC OP1 O 7.752 19.684 18.825 1.00 . A A . 9 DC OP1 1 1
1 288 1 1 9 DC OP2 O 6.635 19.396 21.092 1.00 . A A . 9 DC OP2 1 1
1 289 1 1 9 DC P P 7.860 19.332 20.260 1.00 . A A . 9 DC P 1 1
1 290 2 2 1 G C1' C 17.885 10.040 28.934 1.00 . B B . 10 G C1' 1 1
1 291 2 2 1 G C2 C 14.871 11.961 26.309 1.00 . B B . 10 G C2 1 1
1 292 2 2 1 G C2' C 19.211 10.327 28.325 1.00 . B B . 10 G C2' 1 1
1 293 2 2 1 G C3' C 20.275 9.984 29.354 1.00 . B B . 10 G C3' 1 1
1 294 2 2 1 G C4 C 16.140 11.737 28.153 1.00 . B B . 10 G C4 1 1
1 295 2 2 1 G C4' C 19.492 9.130 30.356 1.00 . B B . 10 G C4' 1 1
1 296 2 2 1 G C5 C 15.550 12.800 28.807 1.00 . B B . 10 G C5 1 1
1 297 2 2 1 G C5' C 19.980 9.228 31.812 1.00 . B B . 10 G C5' 1 1
1 298 2 2 1 G C6 C 14.432 13.440 28.162 1.00 . B B . 10 G C6 1 1
1 299 2 2 1 G C8 C 17.106 12.097 30.079 1.00 . B B . 10 G C8 1 1
1 300 2 2 1 G H1 H 13.490 13.454 26.342 1.00 . B B . 10 G H1 1 1
1 301 2 2 1 G H1' H 17.304 9.411 28.304 1.00 . B B . 10 G H1' 1 1
1 302 2 2 1 G H2' H 19.231 11.392 28.183 1.00 . B B . 10 G H2' 1 1
1 303 2 2 1 G H21 H 13.897 12.272 24.570 1.00 . B B . 10 G H21 1 1
1 304 2 2 1 G H22 H 15.035 10.935 24.598 1.00 . B B . 10 G H22 1 1
1 305 2 2 1 G H3' H 20.573 10.905 29.859 1.00 . B B . 10 G H3' 1 1
1 306 2 2 1 G H4' H 19.600 8.096 30.056 1.00 . B B . 10 G H4' 1 1
1 307 2 2 1 G H5' H 19.350 8.591 32.437 1.00 . B B . 10 G H5' 1 1
1 308 2 2 1 G H5'' H 20.996 8.836 31.846 1.00 . B B . 10 G H5'' 1 1
1 309 2 2 1 G H8 H 17.827 11.867 30.851 1.00 . B B . 10 G H8 1 1
1 310 2 2 1 G HO2' H 20.138 9.688 26.757 1.00 . B B . 10 G HO2' 1 1
1 311 2 2 1 G HO5' H 19.149 10.707 32.806 1.00 . B B . 10 G HO5' 1 1
1 312 2 2 1 G N1 N 14.201 12.986 26.881 1.00 . B B . 10 G N1 1 1
1 313 2 2 1 G N2 N 14.545 11.674 25.077 1.00 . B B . 10 G N2 1 1
1 314 2 2 1 G N3 N 15.827 11.248 26.908 1.00 . B B . 10 G N3 1 1
1 315 2 2 1 G N7 N 16.187 13.031 30.043 1.00 . B B . 10 G N7 1 1
1 316 2 2 1 G N9 N 17.078 11.252 29.034 1.00 . B B . 10 G N9 1 1
1 317 2 2 1 G O2' O 19.261 9.550 27.145 1.00 . B B . 10 G O2' 1 1
1 318 2 2 1 G O3' O 21.383 9.328 28.728 1.00 . B B . 10 G O3' 1 1
1 319 2 2 1 G O4' O 18.114 9.463 30.219 1.00 . B B . 10 G O4' 1 1
1 320 2 2 1 G O5' O 19.992 10.551 32.335 1.00 . B B . 10 G O5' 1 1
1 321 2 2 1 G O6 O 13.666 14.300 28.591 1.00 . B B . 10 G O6 1 1
1 322 2 2 2 A C1' C 18.986 11.517 23.871 1.00 . B B . 11 A C1' 1 1
1 323 2 2 2 A C2 C 15.931 14.703 23.772 1.00 . B B . 11 A C2 1 1
1 324 2 2 2 A C2' C 19.991 11.837 22.791 1.00 . B B . 11 A C2' 1 1
1 325 2 2 2 A C3' C 21.315 11.592 23.538 1.00 . B B . 11 A C3' 1 1
1 326 2 2 2 A C4 C 17.652 13.575 24.634 1.00 . B B . 11 A C4 1 1
1 327 2 2 2 A C4' C 20.941 10.280 24.231 1.00 . B B . 11 A C4' 1 1
1 328 2 2 2 A C5 C 17.570 14.222 25.844 1.00 . B B . 11 A C5 1 1
1 329 2 2 2 A C5' C 21.840 9.783 25.391 1.00 . B B . 11 A C5' 1 1
1 330 2 2 2 A C6 C 16.523 15.176 25.925 1.00 . B B . 11 A C6 1 1
1 331 2 2 2 A C8 C 19.062 12.745 26.057 1.00 . B B . 11 A C8 1 1
1 332 2 2 2 A H1' H 18.049 11.191 23.478 1.00 . B B . 11 A H1' 1 1
1 333 2 2 2 A H2 H 15.210 14.848 22.979 1.00 . B B . 11 A H2 1 1
1 334 2 2 2 A H2' H 19.869 12.860 22.486 1.00 . B B . 11 A H2' 1 1
1 335 2 2 2 A H3' H 21.484 12.343 24.325 1.00 . B B . 11 A H3' 1 1
1 336 2 2 2 A H4' H 20.938 9.510 23.464 1.00 . B B . 11 A H4' 1 1
1 337 2 2 2 A H5' H 21.494 8.788 25.677 1.00 . B B . 11 A H5' 1 1
1 338 2 2 2 A H5'' H 22.859 9.671 25.015 1.00 . B B . 11 A H5'' 1 1
1 339 2 2 2 A H61 H 15.350 16.396 27.053 1.00 . B B . 11 A H61 1 1
1 340 2 2 2 A H62 H 16.754 15.747 27.855 1.00 . B B . 11 A H62 1 1
1 341 2 2 2 A H8 H 19.669 11.961 26.471 1.00 . B B . 11 A H8 1 1
1 342 2 2 2 A HO2' H 20.641 10.892 21.218 1.00 . B B . 11 A HO2' 1 1
1 343 2 2 2 A N1 N 15.713 15.397 24.886 1.00 . B B . 11 A N1 1 1
1 344 2 2 2 A N3 N 16.856 13.773 23.544 1.00 . B B . 11 A N3 1 1
1 345 2 2 2 A N6 N 16.208 15.862 27.008 1.00 . B B . 11 A N6 1 1
1 346 2 2 2 A N7 N 18.487 13.684 26.762 1.00 . B B . 11 A N7 1 1
1 347 2 2 2 A N9 N 18.657 12.640 24.770 1.00 . B B . 11 A N9 1 1
1 348 2 2 2 A O2' O 19.797 10.940 21.694 1.00 . B B . 11 A O2' 1 1
1 349 2 2 2 A O3' O 22.384 11.490 22.598 1.00 . B B . 11 A O3' 1 1
1 350 2 2 2 A O4' O 19.581 10.449 24.610 1.00 . B B . 11 A O4' 1 1
1 351 2 2 2 A O5' O 21.853 10.630 26.548 1.00 . B B . 11 A O5' 1 1
1 352 2 2 2 A OP1 O 23.588 9.187 27.649 1.00 . B B . 11 A OP1 1 1
1 353 2 2 2 A OP2 O 22.840 11.339 28.780 1.00 . B B . 11 A OP2 1 1
1 354 2 2 2 A P P 22.515 10.156 27.957 1.00 . B B . 11 A P 1 1
1 355 2 2 3 G C1' C 18.600 15.612 20.997 1.00 . B B . 12 G C1' 1 1
1 356 2 2 3 G C2 C 16.487 18.633 23.482 1.00 . B B . 12 G C2 1 1
1 357 2 2 3 G C2' C 19.211 16.584 20.006 1.00 . B B . 12 G C2' 1 1
1 358 2 2 3 G C3' C 20.608 15.979 19.884 1.00 . B B . 12 G C3' 1 1
1 359 2 2 3 G C4 C 18.022 17.056 23.036 1.00 . B B . 12 G C4 1 1
1 360 2 2 3 G C4' C 20.291 14.488 19.924 1.00 . B B . 12 G C4' 1 1
1 361 2 2 3 G C5 C 18.575 17.116 24.301 1.00 . B B . 12 G C5 1 1
1 362 2 2 3 G C5' C 21.500 13.574 20.215 1.00 . B B . 12 G C5' 1 1
1 363 2 2 3 G C6 C 18.015 18.031 25.255 1.00 . B B . 12 G C6 1 1
1 364 2 2 3 G C8 C 19.677 15.660 23.238 1.00 . B B . 12 G C8 1 1
1 365 2 2 3 G H1 H 16.520 19.410 25.373 1.00 . B B . 12 G H1 1 1
1 366 2 2 3 G H1' H 17.560 15.538 20.849 1.00 . B B . 12 G H1' 1 1
1 367 2 2 3 G H2' H 19.260 17.565 20.472 1.00 . B B . 12 G H2' 1 1
1 368 2 2 3 G H21 H 15.296 20.218 23.791 1.00 . B B . 12 G H21 1 1
1 369 2 2 3 G H22 H 15.175 19.455 22.199 1.00 . B B . 12 G H22 1 1
1 370 2 2 3 G H3' H 21.132 16.232 20.793 1.00 . B B . 12 G H3' 1 1
1 371 2 2 3 G H4' H 19.872 14.223 18.962 1.00 . B B . 12 G H4' 1 1
1 372 2 2 3 G H5' H 21.167 12.541 20.133 1.00 . B B . 12 G H5' 1 1
1 373 2 2 3 G H5'' H 22.253 13.742 19.443 1.00 . B B . 12 G H5'' 1 1
1 374 2 2 3 G H8 H 20.432 14.976 22.931 1.00 . B B . 12 G H8 1 1
1 375 2 2 3 G HO2' H 17.779 17.250 18.788 1.00 . B B . 12 G HO2' 1 1
1 376 2 2 3 G N1 N 16.957 18.752 24.748 1.00 . B B . 12 G N1 1 1
1 377 2 2 3 G N2 N 15.566 19.491 23.137 1.00 . B B . 12 G N2 1 1
1 378 2 2 3 G N3 N 16.972 17.796 22.558 1.00 . B B . 12 G N3 1 1
1 379 2 2 3 G N7 N 19.647 16.224 24.411 1.00 . B B . 12 G N7 1 1
1 380 2 2 3 G N9 N 18.754 16.101 22.365 1.00 . B B . 12 G N9 1 1
1 381 2 2 3 G O2' O 18.458 16.550 18.795 1.00 . B B . 12 G O2' 1 1
1 382 2 2 3 G O3' O 21.327 16.361 18.719 1.00 . B B . 12 G O3' 1 1
1 383 2 2 3 G O4' O 19.223 14.344 20.841 1.00 . B B . 12 G O4' 1 1
1 384 2 2 3 G O5' O 22.087 13.794 21.498 1.00 . B B . 12 G O5' 1 1
1 385 2 2 3 G O6 O 18.354 18.244 26.421 1.00 . B B . 12 G O6 1 1
1 386 2 2 3 G OP1 O 24.140 12.398 21.067 1.00 . B B . 12 G OP1 1 1
1 387 2 2 3 G OP2 O 23.706 13.429 23.344 1.00 . B B . 12 G OP2 1 1
1 388 2 2 3 G P P 23.181 12.793 22.124 1.00 . B B . 12 G P 1 1
1 389 2 2 4 C C1' C 18.263 20.750 20.448 1.00 . B B . 13 C C1' 1 1
1 390 2 2 4 C C2 C 18.490 21.147 22.904 1.00 . B B . 13 C C2 1 1
1 391 2 2 4 C C2' C 18.781 22.025 19.856 1.00 . B B . 13 C C2' 1 1
1 392 2 2 4 C C3' C 19.953 21.580 18.993 1.00 . B B . 13 C C3' 1 1
1 393 2 2 4 C C4 C 20.247 20.225 24.068 1.00 . B B . 13 C C4 1 1
1 394 2 2 4 C C4' C 19.375 20.269 18.457 1.00 . B B . 13 C C4' 1 1
1 395 2 2 4 C C5 C 20.727 19.596 22.895 1.00 . B B . 13 C C5 1 1
1 396 2 2 4 C C5' C 20.417 19.265 17.932 1.00 . B B . 13 C C5' 1 1
1 397 2 2 4 C C6 C 20.008 19.698 21.777 1.00 . B B . 13 C C6 1 1
1 398 2 2 4 C H1' H 17.243 20.950 20.672 1.00 . B B . 13 C H1' 1 1
1 399 2 2 4 C H2' H 19.079 22.662 20.678 1.00 . B B . 13 C H2' 1 1
1 400 2 2 4 C H3' H 20.834 21.384 19.602 1.00 . B B . 13 C H3' 1 1
1 401 2 2 4 C H4' H 18.742 20.550 17.619 1.00 . B B . 13 C H4' 1 1
1 402 2 2 4 C H41 H 20.477 20.403 26.051 1.00 . B B . 13 C H41 1 1
1 403 2 2 4 C H42 H 21.707 19.466 25.189 1.00 . B B . 13 C H42 1 1
1 404 2 2 4 C H5 H 21.619 19.039 22.814 1.00 . B B . 13 C H5 1 1
1 405 2 2 4 C H5' H 19.888 18.384 17.567 1.00 . B B . 13 C H5' 1 1
1 406 2 2 4 C H5'' H 20.943 19.712 17.086 1.00 . B B . 13 C H5'' 1 1
1 407 2 2 4 C H6 H 20.316 19.185 20.890 1.00 . B B . 13 C H6 1 1
1 408 2 2 4 C HO2' H 18.198 23.022 18.325 1.00 . B B . 13 C HO2' 1 1
1 409 2 2 4 C N1 N 18.905 20.475 21.747 1.00 . B B . 13 C N1 1 1
1 410 2 2 4 C N3 N 19.151 20.962 24.075 1.00 . B B . 13 C N3 1 1
1 411 2 2 4 C N4 N 20.881 20.055 25.193 1.00 . B B . 13 C N4 1 1
1 412 2 2 4 C O2 O 17.550 21.941 22.884 1.00 . B B . 13 C O2 1 1
1 413 2 2 4 C O2' O 17.743 22.564 19.049 1.00 . B B . 13 C O2' 1 1
1 414 2 2 4 C O3' O 20.196 22.537 17.977 1.00 . B B . 13 C O3' 1 1
1 415 2 2 4 C O4' O 18.490 19.744 19.459 1.00 . B B . 13 C O4' 1 1
1 416 2 2 4 C O5' O 21.363 18.887 18.925 1.00 . B B . 13 C O5' 1 1
1 417 2 2 4 C OP1 O 22.909 17.713 17.379 1.00 . B B . 13 C OP1 1 1
1 418 2 2 4 C OP2 O 23.191 17.484 19.905 1.00 . B B . 13 C OP2 1 1
1 419 2 2 4 C P P 22.307 17.616 18.722 1.00 . B B . 13 C P 1 1
1 420 2 2 5 A C1' C 18.778 25.488 22.573 1.00 . B B . 14 A C1' 1 1
1 421 2 2 5 A C2 C 20.286 25.484 26.674 1.00 . B B . 14 A C2 1 1
1 422 2 2 5 A C2' C 19.106 26.972 22.368 1.00 . B B . 14 A C2' 1 1
1 423 2 2 5 A C3' C 19.614 26.948 20.922 1.00 . B B . 14 A C3' 1 1
1 424 2 2 5 A C4 C 20.282 24.856 24.527 1.00 . B B . 14 A C4 1 1
1 425 2 2 5 A C4' C 18.624 25.965 20.318 1.00 . B B . 14 A C4' 1 1
1 426 2 2 5 A C5 C 21.163 23.832 24.747 1.00 . B B . 14 A C5 1 1
1 427 2 2 5 A C5' C 19.209 25.410 19.014 1.00 . B B . 14 A C5' 1 1
1 428 2 2 5 A C6 C 21.550 23.683 26.102 1.00 . B B . 14 A C6 1 1
1 429 2 2 5 A C8 C 20.604 23.698 22.711 1.00 . B B . 14 A C8 1 1
1 430 2 2 5 A H1' H 18.010 25.411 23.323 1.00 . B B . 14 A H1' 1 1
1 431 2 2 5 A H2 H 19.984 26.184 27.440 1.00 . B B . 14 A H2 1 1
1 432 2 2 5 A H2' H 19.885 27.283 23.057 1.00 . B B . 14 A H2' 1 1
1 433 2 2 5 A H3' H 20.605 26.505 20.890 1.00 . B B . 14 A H3' 1 1
1 434 2 2 5 A H4' H 17.693 26.493 20.107 1.00 . B B . 14 A H4' 1 1
1 435 2 2 5 A H5' H 18.457 24.816 18.503 1.00 . B B . 14 A H5' 1 1
1 436 2 2 5 A H5'' H 19.481 26.240 18.358 1.00 . B B . 14 A H5'' 1 1
1 437 2 2 5 A H61 H 22.382 22.560 27.541 1.00 . B B . 14 A H61 1 1
1 438 2 2 5 A H62 H 22.748 22.083 25.886 1.00 . B B . 14 A H62 1 1
1 439 2 2 5 A H8 H 20.391 23.309 21.736 1.00 . B B . 14 A H8 1 1
1 440 2 2 5 A HO2' H 17.752 27.752 23.547 1.00 . B B . 14 A HO2' 1 1
1 441 2 2 5 A N1 N 21.099 24.509 27.052 1.00 . B B . 14 A N1 1 1
1 442 2 2 5 A N3 N 19.813 25.742 25.455 1.00 . B B . 14 A N3 1 1
1 443 2 2 5 A N6 N 22.320 22.713 26.544 1.00 . B B . 14 A N6 1 1
1 444 2 2 5 A N7 N 21.394 23.107 23.567 1.00 . B B . 14 A N7 1 1
1 445 2 2 5 A N9 N 19.911 24.767 23.201 1.00 . B B . 14 A N9 1 1
1 446 2 2 5 A O2' O 17.918 27.738 22.581 1.00 . B B . 14 A O2' 1 1
1 447 2 2 5 A O3' O 19.594 28.183 20.233 1.00 . B B . 14 A O3' 1 1
1 448 2 2 5 A O4' O 18.386 24.965 21.308 1.00 . B B . 14 A O4' 1 1
1 449 2 2 5 A O5' O 20.365 24.642 19.315 1.00 . B B . 14 A O5' 1 1
1 450 2 2 5 A OP1 O 21.177 24.568 16.970 1.00 . B B . 14 A OP1 1 1
1 451 2 2 5 A OP2 O 22.399 23.360 18.836 1.00 . B B . 14 A OP2 1 1
1 452 2 2 5 A P P 21.128 23.791 18.223 1.00 . B B . 14 A P 1 1
1 453 2 2 6 C C1' C 21.588 29.156 25.360 1.00 . B B . 15 C C1' 1 1
1 454 2 2 6 C C2 C 23.141 27.427 26.245 1.00 . B B . 15 C C2 1 1
1 455 2 2 6 C C2' C 22.370 30.457 25.495 1.00 . B B . 15 C C2' 1 1
1 456 2 2 6 C C3' C 22.388 30.963 24.045 1.00 . B B . 15 C C3' 1 1
1 457 2 2 6 C C4 C 23.917 25.703 24.935 1.00 . B B . 15 C C4 1 1
1 458 2 2 6 C C4' C 20.955 30.583 23.656 1.00 . B B . 15 C C4' 1 1
1 459 2 2 6 C C5 C 23.307 26.239 23.774 1.00 . B B . 15 C C5 1 1
1 460 2 2 6 C C5' C 20.624 30.545 22.162 1.00 . B B . 15 C C5' 1 1
1 461 2 2 6 C C6 C 22.606 27.390 23.916 1.00 . B B . 15 C C6 1 1
1 462 2 2 6 C H1' H 21.013 28.952 26.250 1.00 . B B . 15 C H1' 1 1
1 463 2 2 6 C H2' H 23.364 30.252 25.877 1.00 . B B . 15 C H2' 1 1
1 464 2 2 6 C H3' H 23.132 30.406 23.460 1.00 . B B . 15 C H3' 1 1
1 465 2 2 6 C H4' H 20.301 31.334 24.099 1.00 . B B . 15 C H4' 1 1
1 466 2 2 6 C H41 H 24.891 24.185 25.744 1.00 . B B . 15 C H41 1 1
1 467 2 2 6 C H42 H 24.573 24.051 24.007 1.00 . B B . 15 C H42 1 1
1 468 2 2 6 C H5 H 23.406 25.775 22.808 1.00 . B B . 15 C H5 1 1
1 469 2 2 6 C H5' H 19.554 30.368 22.060 1.00 . B B . 15 C H5' 1 1
1 470 2 2 6 C H5'' H 20.860 31.512 21.714 1.00 . B B . 15 C H5'' 1 1
1 471 2 2 6 C H6 H 22.079 27.841 23.091 1.00 . B B . 15 C H6 1 1
1 472 2 2 6 C HO2' H 22.020 32.228 26.188 1.00 . B B . 15 C HO2' 1 1
1 473 2 2 6 C N1 N 22.485 27.983 25.143 1.00 . B B . 15 C N1 1 1
1 474 2 2 6 C N3 N 23.842 26.276 26.120 1.00 . B B . 15 C N3 1 1
1 475 2 2 6 C N4 N 24.562 24.574 24.870 1.00 . B B . 15 C N4 1 1
1 476 2 2 6 C O2 O 23.102 27.971 27.349 1.00 . B B . 15 C O2 1 1
1 477 2 2 6 C O2' O 21.669 31.342 26.361 1.00 . B B . 15 C O2' 1 1
1 478 2 2 6 C O3' O 22.550 32.372 23.979 1.00 . B B . 15 C O3' 1 1
1 479 2 2 6 C O4' O 20.668 29.344 24.289 1.00 . B B . 15 C O4' 1 1
1 480 2 2 6 C O5' O 21.338 29.520 21.501 1.00 . B B . 15 C O5' 1 1
1 481 2 2 6 C OP1 O 20.557 30.209 19.227 1.00 . B B . 15 C OP1 1 1
1 482 2 2 6 C OP2 O 21.986 28.131 19.565 1.00 . B B . 15 C OP2 1 1
1 483 2 2 6 C P P 20.918 29.033 20.050 1.00 . B B . 15 C P 1 1
1 484 2 2 7 C C1' C 25.876 30.790 28.413 1.00 . B B . 16 C C1' 1 1
1 485 2 2 7 C C2 C 26.934 28.538 28.234 1.00 . B B . 16 C C2 1 1
1 486 2 2 7 C C2' C 26.964 31.839 28.684 1.00 . B B . 16 C C2' 1 1
1 487 2 2 7 C C3' C 26.735 32.737 27.475 1.00 . B B . 16 C C3' 1 1
1 488 2 2 7 C C4 C 26.891 27.327 26.283 1.00 . B B . 16 C C4 1 1
1 489 2 2 7 C C4' C 25.212 32.811 27.475 1.00 . B B . 16 C C4' 1 1
1 490 2 2 7 C C5 C 26.313 28.405 25.558 1.00 . B B . 16 C C5 1 1
1 491 2 2 7 C C5' C 24.570 33.402 26.217 1.00 . B B . 16 C C5' 1 1
1 492 2 2 7 C C6 C 26.080 29.555 26.235 1.00 . B B . 16 C C6 1 1
1 493 2 2 7 C H1' H 25.577 30.376 29.367 1.00 . B B . 16 C H1' 1 1
1 494 2 2 7 C H2' H 27.958 31.396 28.668 1.00 . B B . 16 C H2' 1 1
1 495 2 2 7 C H3' H 27.083 32.140 26.638 1.00 . B B . 16 C H3' 1 1
1 496 2 2 7 C H4' H 24.919 33.495 28.278 1.00 . B B . 16 C H4' 1 1
1 497 2 2 7 C H41 H 27.692 25.507 26.216 1.00 . B B . 16 C H41 1 1
1 498 2 2 7 C H42 H 26.980 26.088 24.716 1.00 . B B . 16 C H42 1 1
1 499 2 2 7 C H5 H 26.124 28.353 24.496 1.00 . B B . 16 C H5 1 1
1 500 2 2 7 C H5' H 23.496 33.461 26.392 1.00 . B B . 16 C H5' 1 1
1 501 2 2 7 C H5'' H 24.935 34.425 26.099 1.00 . B B . 16 C H5'' 1 1
1 502 2 2 7 C H6 H 25.720 30.449 25.742 1.00 . B B . 16 C H6 1 1
1 503 2 2 7 C HO2' H 26.922 31.842 30.642 1.00 . B B . 16 C HO2' 1 1
1 504 2 2 7 C N1 N 26.335 29.627 27.585 1.00 . B B . 16 C N1 1 1
1 505 2 2 7 C N3 N 27.204 27.391 27.563 1.00 . B B . 16 C N3 1 1
1 506 2 2 7 C N4 N 27.210 26.216 25.683 1.00 . B B . 16 C N4 1 1
1 507 2 2 7 C O2 O 27.244 28.591 29.423 1.00 . B B . 16 C O2 1 1
1 508 2 2 7 C O2' O 26.709 32.479 29.930 1.00 . B B . 16 C O2' 1 1
1 509 2 2 7 C O3' O 27.316 34.032 27.533 1.00 . B B . 16 C O3' 1 1
1 510 2 2 7 C O4' O 24.783 31.485 27.792 1.00 . B B . 16 C O4' 1 1
1 511 2 2 7 C O5' O 24.813 32.691 25.013 1.00 . B B . 16 C O5' 1 1
1 512 2 2 7 C OP1 O 23.705 34.512 23.712 1.00 . B B . 16 C OP1 1 1
1 513 2 2 7 C OP2 O 24.574 32.438 22.528 1.00 . B B . 16 C OP2 1 1
1 514 2 2 7 C P P 23.954 33.055 23.718 1.00 . B B . 16 C P 1 1
1 515 2 2 8 A C1' C 31.113 30.249 29.441 1.00 . B B . 17 A C1' 1 1
1 516 2 2 8 A C2 C 31.906 26.309 27.932 1.00 . B B . 17 A C2 1 1
1 517 2 2 8 A C2' C 32.502 30.880 29.319 1.00 . B B . 17 A C2' 1 1
1 518 2 2 8 A C3' C 32.116 32.293 28.886 1.00 . B B . 17 A C3' 1 1
1 519 2 2 8 A C4 C 31.023 28.329 27.837 1.00 . B B . 17 A C4 1 1
1 520 2 2 8 A C4' C 30.860 32.509 29.724 1.00 . B B . 17 A C4' 1 1
1 521 2 2 8 A C5 C 30.435 28.128 26.618 1.00 . B B . 17 A C5 1 1
1 522 2 2 8 A C5' C 29.981 33.619 29.146 1.00 . B B . 17 A C5' 1 1
1 523 2 2 8 A C6 C 30.673 26.840 26.082 1.00 . B B . 17 A C6 1 1
1 524 2 2 8 A C8 C 29.977 30.116 27.183 1.00 . B B . 17 A C8 1 1
1 525 2 2 8 A H1' H 31.118 29.456 30.161 1.00 . B B . 17 A H1' 1 1
1 526 2 2 8 A H2 H 32.547 25.614 28.442 1.00 . B B . 17 A H2 1 1
1 527 2 2 8 A H2' H 33.094 30.388 28.547 1.00 . B B . 17 A H2' 1 1
1 528 2 2 8 A H3' H 31.839 32.271 27.830 1.00 . B B . 17 A H3' 1 1
1 529 2 2 8 A H4' H 31.172 32.776 30.731 1.00 . B B . 17 A H4' 1 1
1 530 2 2 8 A H5' H 29.052 33.671 29.713 1.00 . B B . 17 A H5' 1 1
1 531 2 2 8 A H5'' H 30.513 34.566 29.246 1.00 . B B . 17 A H5'' 1 1
1 532 2 2 8 A H61 H 30.404 25.490 24.588 1.00 . B B . 17 A H61 1 1
1 533 2 2 8 A H62 H 29.762 27.100 24.306 1.00 . B B . 17 A H62 1 1
1 534 2 2 8 A H8 H 29.620 31.119 27.269 1.00 . B B . 17 A H8 1 1
1 535 2 2 8 A HO2' H 33.419 29.895 30.740 1.00 . B B . 17 A HO2' 1 1
1 536 2 2 8 A N1 N 31.418 25.953 26.750 1.00 . B B . 17 A N1 1 1
1 537 2 2 8 A N3 N 31.785 27.467 28.559 1.00 . B B . 17 A N3 1 1
1 538 2 2 8 A N6 N 30.256 26.441 24.895 1.00 . B B . 17 A N6 1 1
1 539 2 2 8 A N7 N 29.750 29.285 26.201 1.00 . B B . 17 A N7 1 1
1 540 2 2 8 A N9 N 30.719 29.606 28.193 1.00 . B B . 17 A N9 1 1
1 541 2 2 8 A O2' O 33.150 30.825 30.585 1.00 . B B . 17 A O2' 1 1
1 542 2 2 8 A O3' O 33.100 33.274 29.158 1.00 . B B . 17 A O3' 1 1
1 543 2 2 8 A O4' O 30.186 31.263 29.799 1.00 . B B . 17 A O4' 1 1
1 544 2 2 8 A O5' O 29.714 33.375 27.776 1.00 . B B . 17 A O5' 1 1
1 545 2 2 8 A OP1 O 29.141 35.702 27.247 1.00 . B B . 17 A OP1 1 1
1 546 2 2 8 A OP2 O 28.830 33.847 25.540 1.00 . B B . 17 A OP2 1 1
1 547 2 2 8 A P P 28.758 34.309 26.942 1.00 . B B . 17 A P 1 1
1 548 2 2 9 U C1' C 35.975 28.448 27.576 1.00 . B B . 18 U C1' 1 1
1 549 2 2 9 U C2 C 34.819 27.047 25.892 1.00 . B B . 18 U C2 1 1
1 550 2 2 9 U C2' C 37.232 28.934 26.864 1.00 . B B . 18 U C2' 1 1
1 551 2 2 9 U C3' C 37.215 30.384 27.274 1.00 . B B . 18 U C3' 1 1
1 552 2 2 9 U C4 C 33.219 28.006 24.307 1.00 . B B . 18 U C4 1 1
1 553 2 2 9 U C4' C 36.584 30.443 28.653 1.00 . B B . 18 U C4' 1 1
1 554 2 2 9 U C5 C 33.281 29.221 25.097 1.00 . B B . 18 U C5 1 1
1 555 2 2 9 U C5' C 35.937 31.809 28.922 1.00 . B B . 18 U C5' 1 1
1 556 2 2 9 U C6 C 34.142 29.338 26.142 1.00 . B B . 18 U C6 1 1
1 557 2 2 9 U H1' H 36.097 27.447 27.942 1.00 . B B . 18 U H1' 1 1
1 558 2 2 9 U H2' H 37.045 28.929 25.787 1.00 . B B . 18 U H2' 1 1
1 559 2 2 9 U H3 H 33.931 26.087 24.329 1.00 . B B . 18 U H3 1 1
1 560 2 2 9 U H3' H 36.480 30.760 26.589 1.00 . B B . 18 U H3' 1 1
1 561 2 2 9 U H4' H 37.361 30.313 29.420 1.00 . B B . 18 U H4' 1 1
1 562 2 2 9 U H5 H 32.611 30.040 24.866 1.00 . B B . 18 U H5 1 1
1 563 2 2 9 U H5' H 35.436 31.765 29.887 1.00 . B B . 18 U H5' 1 1
1 564 2 2 9 U H5'' H 36.744 32.538 28.989 1.00 . B B . 18 U H5'' 1 1
1 565 2 2 9 U H6 H 34.131 30.208 26.768 1.00 . B B . 18 U H6 1 1
1 566 2 2 9 U HO2' H 38.433 28.142 28.225 1.00 . B B . 18 U HO2' 1 1
1 567 2 2 9 U HO3' H 39.059 30.743 27.846 1.00 . B B . 18 U HO3' 1 1
1 568 2 2 9 U N1 N 34.917 28.284 26.542 1.00 . B B . 18 U N1 1 1
1 569 2 2 9 U N3 N 33.997 26.984 24.792 1.00 . B B . 18 U N3 1 1
1 570 2 2 9 U O2 O 35.424 26.035 26.256 1.00 . B B . 18 U O2 1 1
1 571 2 2 9 U O2' O 38.401 28.217 27.241 1.00 . B B . 18 U O2' 1 1
1 572 2 2 9 U O3' O 38.455 31.058 27.132 1.00 . B B . 18 U O3' 1 1
1 573 2 2 9 U O4 O 32.568 27.839 23.277 1.00 . B B . 18 U O4 1 1
1 574 2 2 9 U O4' O 35.650 29.357 28.641 1.00 . B B . 18 U O4' 1 1
1 575 2 2 9 U O5' O 35.026 32.248 27.919 1.00 . B B . 18 U O5' 1 1
1 576 2 2 9 U OP1 O 35.092 34.639 28.720 1.00 . B B . 18 U OP1 1 1
1 577 2 2 9 U OP2 O 33.525 33.945 26.821 1.00 . B B . 18 U OP2 1 1
1 578 2 2 9 U P P 34.216 33.620 28.095 1.00 . B B . 18 U P 1 1
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