NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
387886 |
1muv   |
5614 | cing | 4-filtered-FRED | STAR | entry | full | 276 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1muv
# This FRED archive file contains, for PDB entry <1muv>:
#
# - 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, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
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.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_1muv
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1muv
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 5691.42
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 $5__R__GP_GP_CP_AP_AP_GP_CP_CP_U__3_ A . 1 1
2 . 1 $5__R__GP_GP_CP_AP_AP_GP_CP_CP_U__3_ B . 1 1
stop_
save_
save_5__R__GP_GP_CP_AP_AP_GP_CP_CP_U__3_
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "5 R GP GP CP AP AP GP CP CP U 3 "
_Entity.Type polymer
_Entity.Polymer_type polyribonucleotide
_Entity.Polymer_seq_one_letter_code GGCAAGCCU
_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 1
2 G . 1 1
3 C . 1 1
4 A . 1 1
5 A . 1 1
6 G . 1 1
7 C . 1 1
8 C . 1 1
9 U . 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
G 1 1 1 1
G 2 2 1 1
C 3 3 1 1
A 4 4 1 1
A 5 5 1 1
G 6 6 1 1
C 7 7 1 1
C 8 8 1 1
U 9 9 1 1
stop_
save_
save_Discover_distance_constraints_3_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
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20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
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24 1 . . . 1 1
25 1 . . . 1 1
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27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
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32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
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40 1 . . . 1 1
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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
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58 1 . . . 1 1
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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
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68 1 . . . 1 1
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92 1 . . . 1 1
93 1 . . . 1 1
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100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
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105 1 . . . 1 1
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108 1 . . . 1 1
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117 1 . . . 1 1
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119 1 . . . 1 1
120 1 . . . 1 1
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125 1 . . . 1 1
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127 1 . . . 1 1
128 1 . . . 1 1
129 1 . . . 1 1
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131 1 . . . 1 1
132 1 . . . 1 1
133 1 . . . 1 1
134 1 . . . 1 1
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159 1 . . . 1 1
160 1 . . . 1 1
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162 1 . . . 1 1
163 1 . . . 1 1
164 1 . . . 1 1
165 1 . . . 1 1
166 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 G H1' 1 1 G5' H1' 1 1
1 1 2 1 1 1 G H8 1 1 G5' H8 1 1
2 1 1 1 1 1 G H2' 1 1 G5' H2' 1 1
2 1 2 1 1 1 G H8 1 1 G5' H8 1 1
3 1 1 1 1 1 G H3' 1 1 G5' H3' 1 1
3 1 2 1 1 1 G H8 1 1 G5' H8 1 1
4 1 1 1 1 1 G H4' 1 1 G5' H4' 1 1
4 1 2 1 1 1 G H8 1 1 G5' H8 1 1
5 1 1 1 1 1 G H1' 1 1 G5' H1' 1 1
5 1 2 1 1 1 G H2' 1 1 G5' H2' 1 1
6 1 1 1 1 1 G H1' 1 1 G5' H1' 1 1
6 1 2 1 1 1 G H3' 1 1 G5' H3' 1 1
7 1 1 1 1 1 G H1' 1 1 G5' H1' 1 1
7 1 2 1 1 1 G H4' 1 1 G5' H4' 1 1
8 1 1 1 1 1 G H1' 1 1 G5' H1' 1 1
8 1 2 1 1 2 G H8 1 2 G H8 1 1
9 1 1 1 1 1 G H2' 1 1 G5' H2' 1 1
9 1 2 1 1 1 G H3' 1 1 G5' H3' 1 1
10 1 1 1 1 1 G H2' 1 1 G5' H2' 1 1
10 1 2 1 1 1 G H4' 1 1 G5' H4' 1 1
11 1 1 1 1 1 G H2' 1 1 G5' H2' 1 1
11 1 2 1 1 2 G H8 1 2 G H8 1 1
12 1 1 1 1 2 G H3' 1 2 G H3' 1 1
12 1 2 1 1 2 G H8 1 2 G H8 1 1
13 1 1 1 1 2 G H8 1 2 G H8 1 1
13 1 2 1 1 3 C H5 1 3 C H5 1 1
14 1 1 1 1 2 G H1' 1 2 G H1' 1 1
14 1 2 1 1 2 G H8 1 2 G H8 1 1
15 1 1 1 1 2 G H1' 1 2 G H1' 1 1
15 1 2 1 1 2 G H4' 1 2 G H4' 1 1
16 1 1 1 1 2 G H1' 1 2 G H1' 1 1
16 1 2 1 1 3 C H6 1 3 C H6 1 1
17 1 1 1 1 2 G H1' 1 2 G H1' 1 1
17 1 2 1 1 2 G H2' 1 2 G H2' 1 1
18 1 1 1 1 2 G H2' 1 2 G H2' 1 1
18 1 2 1 1 3 C H6 1 3 C H6 1 1
19 1 1 1 1 3 C H5 1 3 C H5 1 1
19 1 2 1 1 3 C H6 1 3 C H6 1 1
20 1 1 1 1 3 C H1' 1 3 C H1' 1 1
20 1 2 1 1 3 C H6 1 3 C H6 1 1
21 1 1 1 1 3 C H3' 1 3 C H3' 1 1
21 1 2 1 1 3 C H6 1 3 C H6 1 1
22 1 1 1 1 3 C H6 1 3 C H6 1 1
22 1 2 1 1 4 A H8 1 4 A H8 1 1
23 1 1 1 1 3 C H1' 1 3 C H1' 1 1
23 1 2 1 1 3 C H3' 1 3 C H3' 1 1
24 1 1 1 1 3 C H1' 1 3 C H1' 1 1
24 1 2 1 1 3 C H2' 1 3 C H2' 1 1
25 1 1 1 1 3 C H2' 1 3 C H2' 1 1
25 1 2 1 1 4 A H8 1 4 A H8 1 1
26 1 1 1 1 3 C H3' 1 3 C H3' 1 1
26 1 2 1 1 4 A H8 1 4 A H8 1 1
27 1 1 1 1 3 C H5 1 3 C H5 1 1
27 1 2 1 1 4 A H8 1 4 A H8 1 1
28 1 1 1 1 3 C H1' 1 3 C H1' 1 1
28 1 2 1 1 4 A H8 1 4 A H8 1 1
29 1 1 1 1 4 A H2' 1 4 A H2' 1 1
29 1 2 1 1 4 A H8 1 4 A H8 1 1
30 1 1 1 1 4 A H3' 1 4 A H3' 1 1
30 1 2 1 1 4 A H8 1 4 A H8 1 1
31 1 1 1 1 4 A H1' 1 4 A H1' 1 1
31 1 2 1 1 4 A H8 1 4 A H8 1 1
32 1 1 1 1 4 A H1' 1 4 A H1' 1 1
32 1 2 1 1 4 A H3' 1 4 A H3' 1 1
33 1 1 1 1 4 A H1' 1 4 A H1' 1 1
33 1 2 1 1 5 A H8 1 5 A H8 1 1
34 1 1 1 1 4 A H1' 1 4 A H1' 1 1
34 1 2 1 1 4 A H2' 1 4 A H2' 1 1
35 1 1 1 1 4 A H2' 1 4 A H2' 1 1
35 1 2 1 1 4 A H3' 1 4 A H3' 1 1
36 1 1 1 1 4 A H2' 1 4 A H2' 1 1
36 1 2 1 1 5 A H8 1 5 A H8 1 1
37 1 1 1 1 4 A H3' 1 4 A H3' 1 1
37 1 2 1 1 5 A H8 1 5 A H8 1 1
38 1 1 1 1 5 A H2 1 5 A H2 1 1
38 1 2 1 1 5 A H2' 1 5 A H2' 1 1
39 1 1 1 1 5 A H2 1 5 A H2 1 1
39 1 2 1 1 6 G H1' 1 6 G H1' 1 1
40 1 1 1 1 5 A H2' 1 5 A H2' 1 1
40 1 2 1 1 5 A H8 1 5 A H8 1 1
41 1 1 1 1 5 A H3' 1 5 A H3' 1 1
41 1 2 1 1 5 A H8 1 5 A H8 1 1
42 1 1 1 1 5 A H8 1 5 A H8 1 1
42 1 2 1 1 6 G H8 1 6 G H8 1 1
43 1 1 1 1 5 A H1' 1 5 A H1' 1 1
43 1 2 1 1 5 A H8 1 5 A H8 1 1
44 1 1 1 1 5 A H1' 1 5 A H1' 1 1
44 1 2 1 1 5 A H2' 1 5 A H2' 1 1
45 1 1 1 1 5 A H2' 1 5 A H2' 1 1
45 1 2 1 1 5 A H3' 1 5 A H3' 1 1
46 1 1 1 1 5 A H3' 1 5 A H3' 1 1
46 1 2 1 1 6 G H8 1 6 G H8 1 1
47 1 1 1 1 5 A H1' 1 5 A H1' 1 1
47 1 2 1 1 6 G H8 1 6 G H8 1 1
48 1 1 1 1 5 A H2' 1 5 A H2' 1 1
48 1 2 1 1 6 G H8 1 6 G H8 1 1
49 1 1 1 1 6 G H8 1 6 G H8 1 1
49 1 2 1 1 7 C H5 1 7 C H5 1 1
50 1 1 1 1 6 G H2' 1 6 G H2' 1 1
50 1 2 1 1 6 G H8 1 6 G H8 1 1
51 1 1 1 1 6 G H2' 1 6 G H2' 1 1
51 1 2 1 1 7 C H5 1 7 C H5 1 1
52 1 1 1 1 6 G H2' 1 6 G H2' 1 1
52 1 2 1 1 7 C H6 1 7 C H6 1 1
53 1 1 1 1 6 G H2' 1 6 G H2' 1 1
53 1 2 1 1 7 C H1' 1 7 C H1' 1 1
54 1 1 1 1 6 G H3' 1 6 G H3' 1 1
54 1 2 1 1 6 G H8 1 6 G H8 1 1
55 1 1 1 1 7 C H3' 1 7 C H3' 1 1
55 1 2 1 1 7 C H5 1 7 C H5 1 1
56 1 1 1 1 7 C H5 1 7 C H5 1 1
56 1 2 1 1 8 C H5 1 8 C H5 1 1
57 1 1 1 1 7 C H5 1 7 C H5 1 1
57 1 2 1 1 7 C H6 1 7 C H6 1 1
58 1 1 1 1 7 C H1' 1 7 C H1' 1 1
58 1 2 1 1 7 C H6 1 7 C H6 1 1
59 1 1 1 1 7 C H2' 1 7 C H2' 1 1
59 1 2 1 1 7 C H6 1 7 C H6 1 1
60 1 1 1 1 7 C H1' 1 7 C H1' 1 1
60 1 2 1 1 7 C H2' 1 7 C H2' 1 1
61 1 1 1 1 7 C H1' 1 7 C H1' 1 1
61 1 2 1 1 8 C H6 1 8 C H6 1 1
62 1 1 1 1 7 C H2' 1 7 C H2' 1 1
62 1 2 1 1 8 C H6 1 8 C H6 1 1
63 1 1 1 1 7 C H3' 1 7 C H3' 1 1
63 1 2 1 1 7 C H6 1 7 C H6 1 1
64 1 1 1 1 7 C H1' 1 7 C H1' 1 1
64 1 2 1 1 7 C H3' 1 7 C H3' 1 1
65 1 1 1 1 7 C H3' 1 7 C H3' 1 1
65 1 2 1 1 8 C H6 1 8 C H6 1 1
66 1 1 1 1 7 C H2' 1 7 C H2' 1 1
66 1 2 1 1 8 C H5 1 8 C H5 1 1
67 1 1 1 1 7 C H3' 1 7 C H3' 1 1
67 1 2 1 1 8 C H5 1 8 C H5 1 1
68 1 1 1 1 8 C H5 1 8 C H5 1 1
68 1 2 1 1 8 C H6 1 8 C H6 1 1
69 1 1 1 1 8 C H1' 1 8 C H1' 1 1
69 1 2 1 1 8 C H6 1 8 C H6 1 1
70 1 1 1 1 8 C H1' 1 8 C H1' 1 1
70 1 2 1 1 8 C H2' 1 8 C H2' 1 1
71 1 1 1 1 8 C H2' 1 8 C H2' 1 1
71 1 2 1 1 9 U H6 1 9 U3' H6 1 1
72 1 1 1 1 8 C H3' 1 8 C H3' 1 1
72 1 2 1 1 9 U H5 1 9 U3' H5 1 1
73 1 1 1 1 9 U H3' 1 9 U3' H3' 1 1
73 1 2 1 1 9 U H5 1 9 U3' H5 1 1
74 1 1 1 1 8 C H3' 1 8 C H3' 1 1
74 1 2 1 1 9 U H6 1 9 U3' H6 1 1
75 1 1 1 1 9 U H5 1 9 U3' H5 1 1
75 1 2 1 1 9 U H6 1 9 U3' H6 1 1
76 1 1 1 1 9 U H1' 1 9 U3' H1' 1 1
76 1 2 1 1 9 U H6 1 9 U3' H6 1 1
77 1 1 1 1 8 C H2' 1 8 C H2' 1 1
77 1 2 1 1 9 U H1' 1 9 U3' H1' 1 1
78 1 1 1 1 9 U H1' 1 9 U3' H1' 1 1
78 1 2 1 1 9 U H3' 1 9 U3' H3' 1 1
79 1 1 1 1 9 U H2' 1 9 U3' H2' 1 1
79 1 2 1 1 9 U H6 1 9 U3' H6 1 1
80 1 1 1 1 9 U H1' 1 9 U3' H1' 1 1
80 1 2 1 1 9 U H2' 1 9 U3' H2' 1 1
81 1 1 1 1 9 U H3' 1 9 U3' H3' 1 1
81 1 2 1 1 9 U H6 1 9 U3' H6 1 1
82 1 1 2 1 1 G H1' B 1 G5' H1' 1 1
82 1 2 2 1 1 G H8 B 1 G5' H8 1 1
83 1 1 2 1 1 G H2' B 1 G5' H2' 1 1
83 1 2 2 1 1 G H8 B 1 G5' H8 1 1
84 1 1 2 1 1 G H3' B 1 G5' H3' 1 1
84 1 2 2 1 1 G H8 B 1 G5' H8 1 1
85 1 1 2 1 1 G H4' B 1 G5' H4' 1 1
85 1 2 2 1 1 G H8 B 1 G5' H8 1 1
86 1 1 2 1 1 G H1' B 1 G5' H1' 1 1
86 1 2 2 1 1 G H2' B 1 G5' H2' 1 1
87 1 1 2 1 1 G H1' B 1 G5' H1' 1 1
87 1 2 2 1 1 G H3' B 1 G5' H3' 1 1
88 1 1 2 1 1 G H1' B 1 G5' H1' 1 1
88 1 2 2 1 1 G H4' B 1 G5' H4' 1 1
89 1 1 2 1 1 G H1' B 1 G5' H1' 1 1
89 1 2 2 1 2 G H8 B 2 G H8 1 1
90 1 1 2 1 1 G H2' B 1 G5' H2' 1 1
90 1 2 2 1 1 G H3' B 1 G5' H3' 1 1
91 1 1 2 1 1 G H2' B 1 G5' H2' 1 1
91 1 2 2 1 1 G H4' B 1 G5' H4' 1 1
92 1 1 2 1 1 G H2' B 1 G5' H2' 1 1
92 1 2 2 1 2 G H8 B 2 G H8 1 1
93 1 1 2 1 2 G H3' B 2 G H3' 1 1
93 1 2 2 1 2 G H8 B 2 G H8 1 1
94 1 1 2 1 2 G H8 B 2 G H8 1 1
94 1 2 2 1 3 C H5 B 3 C H5 1 1
95 1 1 2 1 2 G H1' B 2 G H1' 1 1
95 1 2 2 1 2 G H8 B 2 G H8 1 1
96 1 1 2 1 2 G H1' B 2 G H1' 1 1
96 1 2 2 1 2 G H4' B 2 G H4' 1 1
97 1 1 2 1 2 G H1' B 2 G H1' 1 1
97 1 2 2 1 3 C H6 B 3 C H6 1 1
98 1 1 2 1 2 G H1' B 2 G H1' 1 1
98 1 2 2 1 2 G H2' B 2 G H2' 1 1
99 1 1 2 1 2 G H2' B 2 G H2' 1 1
99 1 2 2 1 3 C H6 B 3 C H6 1 1
100 1 1 2 1 3 C H5 B 3 C H5 1 1
100 1 2 2 1 3 C H6 B 3 C H6 1 1
101 1 1 2 1 3 C H1' B 3 C H1' 1 1
101 1 2 2 1 3 C H6 B 3 C H6 1 1
102 1 1 2 1 3 C H3' B 3 C H3' 1 1
102 1 2 2 1 3 C H6 B 3 C H6 1 1
103 1 1 2 1 3 C H6 B 3 C H6 1 1
103 1 2 2 1 4 A H8 B 4 A H8 1 1
104 1 1 2 1 3 C H1' B 3 C H1' 1 1
104 1 2 2 1 3 C H3' B 3 C H3' 1 1
105 1 1 2 1 3 C H1' B 3 C H1' 1 1
105 1 2 2 1 3 C H2' B 3 C H2' 1 1
106 1 1 2 1 3 C H2' B 3 C H2' 1 1
106 1 2 2 1 4 A H8 B 4 A H8 1 1
107 1 1 2 1 3 C H3' B 3 C H3' 1 1
107 1 2 2 1 4 A H8 B 4 A H8 1 1
108 1 1 2 1 3 C H5 B 3 C H5 1 1
108 1 2 2 1 4 A H8 B 4 A H8 1 1
109 1 1 2 1 3 C H1' B 3 C H1' 1 1
109 1 2 2 1 4 A H8 B 4 A H8 1 1
110 1 1 2 1 4 A H2' B 4 A H2' 1 1
110 1 2 2 1 4 A H8 B 4 A H8 1 1
111 1 1 2 1 4 A H3' B 4 A H3' 1 1
111 1 2 2 1 4 A H8 B 4 A H8 1 1
112 1 1 2 1 4 A H1' B 4 A H1' 1 1
112 1 2 2 1 4 A H8 B 4 A H8 1 1
113 1 1 2 1 4 A H1' B 4 A H1' 1 1
113 1 2 2 1 4 A H3' B 4 A H3' 1 1
114 1 1 2 1 4 A H1' B 4 A H1' 1 1
114 1 2 2 1 5 A H8 B 5 A H8 1 1
115 1 1 2 1 4 A H1' B 4 A H1' 1 1
115 1 2 2 1 4 A H2' B 4 A H2' 1 1
116 1 1 2 1 4 A H2' B 4 A H2' 1 1
116 1 2 2 1 4 A H3' B 4 A H3' 1 1
117 1 1 2 1 4 A H2' B 4 A H2' 1 1
117 1 2 2 1 5 A H8 B 5 A H8 1 1
118 1 1 2 1 4 A H3' B 4 A H3' 1 1
118 1 2 2 1 5 A H8 B 5 A H8 1 1
119 1 1 2 1 5 A H2 B 5 A H2 1 1
119 1 2 2 1 5 A H2' B 5 A H2' 1 1
120 1 1 2 1 5 A H2 B 5 A H2 1 1
120 1 2 2 1 6 G H1' B 6 G H1' 1 1
121 1 1 2 1 5 A H2' B 5 A H2' 1 1
121 1 2 2 1 5 A H8 B 5 A H8 1 1
122 1 1 2 1 5 A H3' B 5 A H3' 1 1
122 1 2 2 1 5 A H8 B 5 A H8 1 1
123 1 1 2 1 5 A H8 B 5 A H8 1 1
123 1 2 2 1 6 G H8 B 6 G H8 1 1
124 1 1 2 1 5 A H1' B 5 A H1' 1 1
124 1 2 2 1 5 A H8 B 5 A H8 1 1
125 1 1 2 1 5 A H1' B 5 A H1' 1 1
125 1 2 2 1 5 A H2' B 5 A H2' 1 1
126 1 1 2 1 5 A H2' B 5 A H2' 1 1
126 1 2 2 1 5 A H3' B 5 A H3' 1 1
127 1 1 2 1 5 A H3' B 5 A H3' 1 1
127 1 2 2 1 6 G H8 B 6 G H8 1 1
128 1 1 2 1 5 A H1' B 5 A H1' 1 1
128 1 2 2 1 6 G H8 B 6 G H8 1 1
129 1 1 2 1 5 A H2' B 5 A H2' 1 1
129 1 2 2 1 6 G H8 B 6 G H8 1 1
130 1 1 2 1 6 G H8 B 6 G H8 1 1
130 1 2 2 1 7 C H5 B 7 C H5 1 1
131 1 1 2 1 6 G H2' B 6 G H2' 1 1
131 1 2 2 1 6 G H8 B 6 G H8 1 1
132 1 1 2 1 6 G H2' B 6 G H2' 1 1
132 1 2 2 1 7 C H5 B 7 C H5 1 1
133 1 1 2 1 6 G H2' B 6 G H2' 1 1
133 1 2 2 1 7 C H6 B 7 C H6 1 1
134 1 1 2 1 6 G H2' B 6 G H2' 1 1
134 1 2 2 1 7 C H1' B 7 C H1' 1 1
135 1 1 2 1 6 G H3' B 6 G H3' 1 1
135 1 2 2 1 6 G H8 B 6 G H8 1 1
136 1 1 2 1 7 C H3' B 7 C H3' 1 1
136 1 2 2 1 7 C H5 B 7 C H5 1 1
137 1 1 2 1 7 C H5 B 7 C H5 1 1
137 1 2 2 1 8 C H5 B 8 C H5 1 1
138 1 1 2 1 7 C H5 B 7 C H5 1 1
138 1 2 2 1 7 C H6 B 7 C H6 1 1
139 1 1 2 1 7 C H1' B 7 C H1' 1 1
139 1 2 2 1 7 C H6 B 7 C H6 1 1
140 1 1 2 1 7 C H2' B 7 C H2' 1 1
140 1 2 2 1 7 C H6 B 7 C H6 1 1
141 1 1 2 1 7 C H1' B 7 C H1' 1 1
141 1 2 2 1 7 C H2' B 7 C H2' 1 1
142 1 1 2 1 7 C H1' B 7 C H1' 1 1
142 1 2 2 1 8 C H6 B 8 C H6 1 1
143 1 1 2 1 7 C H2' B 7 C H2' 1 1
143 1 2 2 1 8 C H6 B 8 C H6 1 1
144 1 1 2 1 7 C H3' B 7 C H3' 1 1
144 1 2 2 1 7 C H6 B 7 C H6 1 1
145 1 1 2 1 7 C H1' B 7 C H1' 1 1
145 1 2 2 1 7 C H3' B 7 C H3' 1 1
146 1 1 2 1 7 C H3' B 7 C H3' 1 1
146 1 2 2 1 8 C H6 B 8 C H6 1 1
147 1 1 2 1 7 C H2' B 7 C H2' 1 1
147 1 2 2 1 8 C H5 B 8 C H5 1 1
148 1 1 2 1 7 C H3' B 7 C H3' 1 1
148 1 2 2 1 8 C H5 B 8 C H5 1 1
149 1 1 2 1 8 C H5 B 8 C H5 1 1
149 1 2 2 1 8 C H6 B 8 C H6 1 1
150 1 1 2 1 8 C H1' B 8 C H1' 1 1
150 1 2 2 1 8 C H6 B 8 C H6 1 1
151 1 1 2 1 8 C H1' B 8 C H1' 1 1
151 1 2 2 1 8 C H2' B 8 C H2' 1 1
152 1 1 2 1 8 C H2' B 8 C H2' 1 1
152 1 2 2 1 9 U H6 B 9 U3' H6 1 1
153 1 1 2 1 8 C H3' B 8 C H3' 1 1
153 1 2 2 1 9 U H5 B 9 U3' H5 1 1
154 1 1 2 1 9 U H3' B 9 U3' H3' 1 1
154 1 2 2 1 9 U H5 B 9 U3' H5 1 1
155 1 1 2 1 8 C H3' B 8 C H3' 1 1
155 1 2 2 1 9 U H6 B 9 U3' H6 1 1
156 1 1 2 1 9 U H5 B 9 U3' H5 1 1
156 1 2 2 1 9 U H6 B 9 U3' H6 1 1
157 1 1 2 1 9 U H1' B 9 U3' H1' 1 1
157 1 2 2 1 9 U H6 B 9 U3' H6 1 1
158 1 1 2 1 8 C H2' B 8 C H2' 1 1
158 1 2 2 1 9 U H1' B 9 U3' H1' 1 1
159 1 1 2 1 9 U H1' B 9 U3' H1' 1 1
159 1 2 2 1 9 U H3' B 9 U3' H3' 1 1
160 1 1 2 1 9 U H2' B 9 U3' H2' 1 1
160 1 2 2 1 9 U H6 B 9 U3' H6 1 1
161 1 1 2 1 9 U H1' B 9 U3' H1' 1 1
161 1 2 2 1 9 U H2' B 9 U3' H2' 1 1
162 1 1 2 1 9 U H3' B 9 U3' H3' 1 1
162 1 2 2 1 9 U H6 B 9 U3' H6 1 1
163 1 1 1 1 4 A H2 1 4 A H2 1 1
163 1 2 2 1 5 A H8 B 5 A H8 1 1
164 1 1 1 1 5 A H2 1 5 A H2 1 1
164 1 2 2 1 5 A H1' B 5 A H1' 1 1
165 1 1 1 1 5 A H8 1 5 A H8 1 1
165 1 2 2 1 4 A H2 B 4 A H2 1 1
166 1 1 1 1 5 A H1' 1 5 A H1' 1 1
166 1 2 2 1 5 A H2 B 5 A H2 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 . . . . . . 2.928 5.437 1 1
2 1 . . . . . . 3.389 6.0 1 1
3 1 . . . . . . 2.662 4.943 1 1
4 1 . . . . . . 4.033 6.0 1 1
5 1 . . . . . . 1.901 3.531 1 1
6 1 . . . . . . 2.269 4.214 1 1
7 1 . . . . . . 2.544 4.725 1 1
8 1 . . . . . . 2.783 5.169 1 1
9 1 . . . . . . 1.547 2.872 1 1
10 1 . . . . . . 2.279 4.233 1 1
11 1 . . . . . . 1.69 3.138 1 1
12 1 . . . . . . 1.739 3.229 1 1
13 1 . . . . . . 3.03 5.628 1 1
14 1 . . . . . . 2.629 4.883 1 1
15 1 . . . . . . 2.085 3.872 1 1
16 1 . . . . . . 2.756 5.117 1 1
17 1 . . . . . . 1.726 3.205 1 1
18 1 . . . . . . 1.559 2.895 1 1
19 1 . . . . . . 1.756 3.262 1 1
20 1 . . . . . . 2.699 5.012 1 1
21 1 . . . . . . 1.826 3.392 1 1
22 1 . . . . . . 2.921 5.425 1 1
23 1 . . . . . . 2.137 3.968 1 1
24 1 . . . . . . 1.882 3.495 1 1
25 1 . . . . . . 1.887 3.504 1 1
26 1 . . . . . . 2.118 3.934 1 1
27 1 . . . . . . 3.2 5.943 1 1
28 1 . . . . . . 3.173 5.893 1 1
29 1 . . . . . . 2.239 4.158 1 1
30 1 . . . . . . 2.239 4.158 1 1
31 1 . . . . . . 2.873 5.336 1 1
32 1 . . . . . . 2.782 5.167 1 1
33 1 . . . . . . 3.263 6.0 1 1
34 1 . . . . . . 1.838 3.414 1 1
35 1 . . . . . . 1.749 3.248 1 1
36 1 . . . . . . 1.908 3.544 1 1
37 1 . . . . . . 2.607 4.842 1 1
38 1 . . . . . . 3.444 6.0 1 1
39 1 . . . . . . 2.89 5.367 1 1
40 1 . . . . . . 2.565 4.764 1 1
41 1 . . . . . . 2.237 4.154 1 1
42 1 . . . . . . 2.976 5.526 1 1
43 1 . . . . . . 2.592 4.813 1 1
44 1 . . . . . . 1.954 3.629 1 1
45 1 . . . . . . 1.729 3.212 1 1
46 1 . . . . . . 1.662 3.087 1 1
47 1 . . . . . . 3.065 5.692 1 1
48 1 . . . . . . 2.133 3.96 1 1
49 1 . . . . . . 2.55 4.736 1 1
50 1 . . . . . . 2.633 4.889 1 1
51 1 . . . . . . 2.434 4.52 1 1
52 1 . . . . . . 1.615 2.999 1 1
53 1 . . . . . . 2.796 5.192 1 1
54 1 . . . . . . 1.936 3.596 1 1
55 1 . . . . . . 2.207 4.099 1 1
56 1 . . . . . . 3.287 6.0 1 1
57 1 . . . . . . 1.77 3.287 1 1
58 1 . . . . . . 2.694 5.003 1 1
59 1 . . . . . . 2.039 3.786 1 1
60 1 . . . . . . 2.056 3.819 1 1
61 1 . . . . . . 2.615 4.857 1 1
62 1 . . . . . . 1.653 3.07 1 1
63 1 . . . . . . 1.593 2.958 1 1
64 1 . . . . . . 2.151 3.994 1 1
65 1 . . . . . . 1.797 3.336 1 1
66 1 . . . . . . 2.239 4.158 1 1
67 1 . . . . . . 2.293 4.259 1 1
68 1 . . . . . . 1.757 3.262 1 1
69 1 . . . . . . 2.315 4.3 1 1
70 1 . . . . . . 1.801 3.344 1 1
71 1 . . . . . . 1.773 3.293 1 1
72 1 . . . . . . 2.584 4.799 1 1
73 1 . . . . . . 3.268 6.0 1 1
74 1 . . . . . . 1.652 3.067 1 1
75 1 . . . . . . 1.708 3.173 1 1
76 1 . . . . . . 2.502 4.647 1 1
77 1 . . . . . . 2.47 4.587 1 1
78 1 . . . . . . 2.176 4.041 1 1
79 1 . . . . . . 2.383 4.425 1 1
80 1 . . . . . . 2.043 3.795 1 1
81 1 . . . . . . 1.873 3.479 1 1
82 1 . . . . . . 2.928 5.437 1 1
83 1 . . . . . . 3.389 6.0 1 1
84 1 . . . . . . 2.662 4.943 1 1
85 1 . . . . . . 4.033 6.0 1 1
86 1 . . . . . . 1.901 3.531 1 1
87 1 . . . . . . 2.269 4.214 1 1
88 1 . . . . . . 2.544 4.725 1 1
89 1 . . . . . . 2.783 5.169 1 1
90 1 . . . . . . 1.547 2.872 1 1
91 1 . . . . . . 2.279 4.233 1 1
92 1 . . . . . . 1.69 3.138 1 1
93 1 . . . . . . 1.739 3.229 1 1
94 1 . . . . . . 3.03 5.628 1 1
95 1 . . . . . . 2.629 4.883 1 1
96 1 . . . . . . 2.085 3.872 1 1
97 1 . . . . . . 2.756 5.117 1 1
98 1 . . . . . . 1.726 3.205 1 1
99 1 . . . . . . 1.559 2.895 1 1
100 1 . . . . . . 1.756 3.262 1 1
101 1 . . . . . . 2.699 5.012 1 1
102 1 . . . . . . 1.826 3.392 1 1
103 1 . . . . . . 2.921 5.425 1 1
104 1 . . . . . . 2.137 3.968 1 1
105 1 . . . . . . 1.882 3.495 1 1
106 1 . . . . . . 1.887 3.504 1 1
107 1 . . . . . . 2.118 3.934 1 1
108 1 . . . . . . 3.2 5.943 1 1
109 1 . . . . . . 3.173 5.893 1 1
110 1 . . . . . . 2.239 4.158 1 1
111 1 . . . . . . 2.239 4.158 1 1
112 1 . . . . . . 2.873 5.336 1 1
113 1 . . . . . . 2.782 5.167 1 1
114 1 . . . . . . 3.263 6.0 1 1
115 1 . . . . . . 1.838 3.414 1 1
116 1 . . . . . . 1.749 3.248 1 1
117 1 . . . . . . 1.908 3.544 1 1
118 1 . . . . . . 2.607 4.842 1 1
119 1 . . . . . . 3.444 6.0 1 1
120 1 . . . . . . 2.89 5.367 1 1
121 1 . . . . . . 2.565 4.764 1 1
122 1 . . . . . . 2.237 4.154 1 1
123 1 . . . . . . 2.976 5.526 1 1
124 1 . . . . . . 2.592 4.813 1 1
125 1 . . . . . . 1.954 3.629 1 1
126 1 . . . . . . 1.729 3.212 1 1
127 1 . . . . . . 1.662 3.087 1 1
128 1 . . . . . . 3.065 5.692 1 1
129 1 . . . . . . 2.133 3.96 1 1
130 1 . . . . . . 2.55 4.736 1 1
131 1 . . . . . . 2.633 4.889 1 1
132 1 . . . . . . 2.434 4.52 1 1
133 1 . . . . . . 1.615 2.999 1 1
134 1 . . . . . . 2.796 5.192 1 1
135 1 . . . . . . 1.936 3.596 1 1
136 1 . . . . . . 2.207 4.099 1 1
137 1 . . . . . . 3.287 6.0 1 1
138 1 . . . . . . 1.77 3.287 1 1
139 1 . . . . . . 2.694 5.003 1 1
140 1 . . . . . . 2.039 3.786 1 1
141 1 . . . . . . 2.056 3.819 1 1
142 1 . . . . . . 2.615 4.857 1 1
143 1 . . . . . . 1.653 3.07 1 1
144 1 . . . . . . 1.593 2.958 1 1
145 1 . . . . . . 2.151 3.994 1 1
146 1 . . . . . . 1.797 3.336 1 1
147 1 . . . . . . 2.239 4.158 1 1
148 1 . . . . . . 2.293 4.259 1 1
149 1 . . . . . . 1.757 3.262 1 1
150 1 . . . . . . 2.315 4.3 1 1
151 1 . . . . . . 1.801 3.344 1 1
152 1 . . . . . . 1.773 3.293 1 1
153 1 . . . . . . 2.584 4.799 1 1
154 1 . . . . . . 3.268 6.0 1 1
155 1 . . . . . . 1.652 3.067 1 1
156 1 . . . . . . 1.708 3.173 1 1
157 1 . . . . . . 2.502 4.647 1 1
158 1 . . . . . . 2.47 4.587 1 1
159 1 . . . . . . 2.176 4.041 1 1
160 1 . . . . . . 2.383 4.425 1 1
161 1 . . . . . . 2.043 3.795 1 1
162 1 . . . . . . 1.873 3.479 1 1
163 1 . . . . . . 3.074 5.708 1 1
164 1 . . . . . . 2.417 4.49 1 1
165 1 . . . . . . 3.074 5.708 1 1
166 1 . . . . . . 2.417 4.49 1 1
stop_
save_
save_Discover_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
11 1 . . . 1 2
12 1 . . . 1 2
13 1 . . . 1 2
14 1 . . . 1 2
15 1 . . . 1 2
16 1 . . . 1 2
17 1 . . . 1 2
18 1 . . . 1 2
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 G H1 1 1 G5' H1 1 2
1 1 2 2 1 8 C N3 B 8 C N3 1 2
2 1 1 1 1 1 G O6 1 1 G5' O6 1 2
2 1 2 2 1 8 C H41 B 8 C H42 1 2
3 1 1 1 1 1 G H21 1 1 G5' H22 1 2
3 1 2 2 1 8 C O2 B 8 C O2 1 2
4 1 1 1 1 2 G H1 1 2 G H1 1 2
4 1 2 2 1 7 C N3 B 7 C N3 1 2
5 1 1 1 1 2 G O6 1 2 G O6 1 2
5 1 2 2 1 7 C H41 B 7 C H42 1 2
6 1 1 1 1 2 G H21 1 2 G H22 1 2
6 1 2 2 1 7 C O2 B 7 C O2 1 2
7 1 1 1 1 3 C N3 1 3 C N3 1 2
7 1 2 2 1 6 G H1 B 6 G H1 1 2
8 1 1 1 1 3 C H41 1 3 C H42 1 2
8 1 2 2 1 6 G O6 B 6 G O6 1 2
9 1 1 1 1 3 C O2 1 3 C O2 1 2
9 1 2 2 1 6 G H21 B 6 G H22 1 2
10 1 1 1 1 6 G H1 1 6 G H1 1 2
10 1 2 2 1 3 C N3 B 3 C N3 1 2
11 1 1 1 1 6 G O6 1 6 G O6 1 2
11 1 2 2 1 3 C H41 B 3 C H42 1 2
12 1 1 1 1 6 G H21 1 6 G H22 1 2
12 1 2 2 1 3 C O2 B 3 C O2 1 2
13 1 1 1 1 7 C N3 1 7 C N3 1 2
13 1 2 2 1 2 G H1 B 2 G H1 1 2
14 1 1 1 1 7 C H41 1 7 C H42 1 2
14 1 2 2 1 2 G O6 B 2 G O6 1 2
15 1 1 1 1 7 C O2 1 7 C O2 1 2
15 1 2 2 1 2 G H21 B 2 G H22 1 2
16 1 1 1 1 8 C N3 1 8 C N3 1 2
16 1 2 2 1 1 G H1 B 1 G5' H1 1 2
17 1 1 1 1 8 C H41 1 8 C H42 1 2
17 1 2 2 1 1 G O6 B 1 G5' O6 1 2
18 1 1 1 1 8 C O2 1 8 C O2 1 2
18 1 2 2 1 1 G H21 B 1 G5' H22 1 2
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 . . . . . . 1.8 2.5 1 2
2 1 . . . . . . 1.8 2.5 1 2
3 1 . . . . . . 1.8 2.5 1 2
4 1 . . . . . . 1.8 2.5 1 2
5 1 . . . . . . 1.8 2.5 1 2
6 1 . . . . . . 1.8 2.5 1 2
7 1 . . . . . . 1.8 2.5 1 2
8 1 . . . . . . 1.8 2.5 1 2
9 1 . . . . . . 1.8 2.5 1 2
10 1 . . . . . . 1.8 2.5 1 2
11 1 . . . . . . 1.8 2.5 1 2
12 1 . . . . . . 1.8 2.5 1 2
13 1 . . . . . . 1.8 2.5 1 2
14 1 . . . . . . 1.8 2.5 1 2
15 1 . . . . . . 1.8 2.5 1 2
16 1 . . . . . . 1.8 2.5 1 2
17 1 . . . . . . 1.8 2.5 1 2
18 1 . . . . . . 1.8 2.5 1 2
stop_
save_
save_Discover_dihedral_4
_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 G O3' 1 1 2 G P 1 1 2 G O5' 1 1 2 G C5' -150.0 150.0 1 1 G5' O3' 1 2 G P 1 2 G O5' 1 2 G C5' 1 1
2 . 1 1 2 G O3' 1 1 3 C P 1 1 3 C O5' 1 1 3 C C5' -150.0 150.0 1 2 G O3' 1 3 C P 1 3 C O5' 1 3 C C5' 1 1
3 . 1 1 3 C O3' 1 1 4 A P 1 1 4 A O5' 1 1 4 A C5' -150.0 150.0 1 3 C O3' 1 4 A P 1 4 A O5' 1 4 A C5' 1 1
4 . 1 1 4 A O3' 1 1 5 A P 1 1 5 A O5' 1 1 5 A C5' -150.0 150.0 1 4 A O3' 1 5 A P 1 5 A O5' 1 5 A C5' 1 1
5 . 1 1 5 A O3' 1 1 6 G P 1 1 6 G O5' 1 1 6 G C5' -150.0 150.0 1 5 A O3' 1 6 G P 1 6 G O5' 1 6 G C5' 1 1
6 . 1 1 6 G O3' 1 1 7 C P 1 1 7 C O5' 1 1 7 C C5' -150.0 150.0 1 6 G O3' 1 7 C P 1 7 C O5' 1 7 C C5' 1 1
7 . 1 1 7 C O3' 1 1 8 C P 1 1 8 C O5' 1 1 8 C C5' -150.0 150.0 1 7 C O3' 1 8 C P 1 8 C O5' 1 8 C C5' 1 1
8 . 1 1 8 C O3' 1 1 9 U P 1 1 9 U O5' 1 1 9 U C5' -150.0 150.0 1 8 C O3' 1 9 U3' P 1 9 U3' O5' 1 9 U3' C5' 1 1
9 . 2 1 1 G O3' 2 1 2 G P 2 1 2 G O5' 2 1 2 G C5' -150.0 150.0 B 1 G5' O3' B 2 G P B 2 G O5' B 2 G C5' 1 1
10 . 2 1 2 G O3' 2 1 3 C P 2 1 3 C O5' 2 1 3 C C5' -150.0 150.0 B 2 G O3' B 3 C P B 3 C O5' B 3 C C5' 1 1
11 . 2 1 3 C O3' 2 1 4 A P 2 1 4 A O5' 2 1 4 A C5' -150.0 150.0 B 3 C O3' B 4 A P B 4 A O5' B 4 A C5' 1 1
12 . 2 1 4 A O3' 2 1 5 A P 2 1 5 A O5' 2 1 5 A C5' -150.0 150.0 B 4 A O3' B 5 A P B 5 A O5' B 5 A C5' 1 1
13 . 2 1 5 A O3' 2 1 6 G P 2 1 6 G O5' 2 1 6 G C5' -150.0 150.0 B 5 A O3' B 6 G P B 6 G O5' B 6 G C5' 1 1
14 . 2 1 6 G O3' 2 1 7 C P 2 1 7 C O5' 2 1 7 C C5' -150.0 150.0 B 6 G O3' B 7 C P B 7 C O5' B 7 C C5' 1 1
15 . 2 1 7 C O3' 2 1 8 C P 2 1 8 C O5' 2 1 8 C C5' -150.0 150.0 B 7 C O3' B 8 C P B 8 C O5' B 8 C C5' 1 1
16 . 2 1 8 C O3' 2 1 9 U P 2 1 9 U O5' 2 1 9 U C5' -150.0 150.0 B 8 C O3' B 9 U3' P B 9 U3' O5' B 9 U3' C5' 1 1
17 . 1 1 2 G P 1 1 2 G O5' 1 1 2 G C5' 1 1 2 G C4' 150.0 210.0 1 2 G P 1 2 G O5' 1 2 G C5' 1 2 G C4' 1 1
18 . 1 1 3 C P 1 1 3 C O5' 1 1 3 C C5' 1 1 3 C C4' 150.0 210.0 1 3 C P 1 3 C O5' 1 3 C C5' 1 3 C C4' 1 1
19 . 1 1 6 G P 1 1 6 G O5' 1 1 6 G C5' 1 1 6 G C4' 150.0 210.0 1 6 G P 1 6 G O5' 1 6 G C5' 1 6 G C4' 1 1
20 . 1 1 7 C P 1 1 7 C O5' 1 1 7 C C5' 1 1 7 C C4' 150.0 210.0 1 7 C P 1 7 C O5' 1 7 C C5' 1 7 C C4' 1 1
21 . 1 1 8 C P 1 1 8 C O5' 1 1 8 C C5' 1 1 8 C C4' 150.0 210.0 1 8 C P 1 8 C O5' 1 8 C C5' 1 8 C C4' 1 1
22 . 1 1 9 U P 1 1 9 U O5' 1 1 9 U C5' 1 1 9 U C4' 150.0 210.0 1 9 U3' P 1 9 U3' O5' 1 9 U3' C5' 1 9 U3' C4' 1 1
23 . 2 1 2 G P 2 1 2 G O5' 2 1 2 G C5' 2 1 2 G C4' 150.0 210.0 B 2 G P B 2 G O5' B 2 G C5' B 2 G C4' 1 1
24 . 2 1 3 C P 2 1 3 C O5' 2 1 3 C C5' 2 1 3 C C4' 150.0 210.0 B 3 C P B 3 C O5' B 3 C C5' B 3 C C4' 1 1
25 . 2 1 6 G P 2 1 6 G O5' 2 1 6 G C5' 2 1 6 G C4' 150.0 210.0 B 6 G P B 6 G O5' B 6 G C5' B 6 G C4' 1 1
26 . 2 1 7 C P 2 1 7 C O5' 2 1 7 C C5' 2 1 7 C C4' 150.0 210.0 B 7 C P B 7 C O5' B 7 C C5' B 7 C C4' 1 1
27 . 2 1 8 C P 2 1 8 C O5' 2 1 8 C C5' 2 1 8 C C4' 150.0 210.0 B 8 C P B 8 C O5' B 8 C C5' B 8 C C4' 1 1
28 . 2 1 9 U P 2 1 9 U O5' 2 1 9 U C5' 2 1 9 U C4' 150.0 210.0 B 9 U3' P B 9 U3' O5' B 9 U3' C5' B 9 U3' C4' 1 1
29 . 1 1 1 G O5' 1 1 1 G C5' 1 1 1 G C4' 1 1 1 G C3' 30.0 89.99999 1 1 G5' O5' 1 1 G5' C5' 1 1 G5' C4' 1 1 G5' C3' 1 1
30 . 1 1 2 G O5' 1 1 2 G C5' 1 1 2 G C4' 1 1 2 G C3' 30.0 89.99999 1 2 G O5' 1 2 G C5' 1 2 G C4' 1 2 G C3' 1 1
31 . 1 1 3 C O5' 1 1 3 C C5' 1 1 3 C C4' 1 1 3 C C3' 30.0 89.99999 1 3 C O5' 1 3 C C5' 1 3 C C4' 1 3 C C3' 1 1
32 . 1 1 6 G O5' 1 1 6 G C5' 1 1 6 G C4' 1 1 6 G C3' 30.0 89.99999 1 6 G O5' 1 6 G C5' 1 6 G C4' 1 6 G C3' 1 1
33 . 1 1 7 C O5' 1 1 7 C C5' 1 1 7 C C4' 1 1 7 C C3' 30.0 89.99999 1 7 C O5' 1 7 C C5' 1 7 C C4' 1 7 C C3' 1 1
34 . 1 1 8 C O5' 1 1 8 C C5' 1 1 8 C C4' 1 1 8 C C3' 30.0 89.99999 1 8 C O5' 1 8 C C5' 1 8 C C4' 1 8 C C3' 1 1
35 . 1 1 9 U O5' 1 1 9 U C5' 1 1 9 U C4' 1 1 9 U C3' 30.0 89.99999 1 9 U3' O5' 1 9 U3' C5' 1 9 U3' C4' 1 9 U3' C3' 1 1
36 . 2 1 1 G O5' 2 1 1 G C5' 2 1 1 G C4' 2 1 1 G C3' 30.0 89.99999 B 1 G5' O5' B 1 G5' C5' B 1 G5' C4' B 1 G5' C3' 1 1
37 . 2 1 2 G O5' 2 1 2 G C5' 2 1 2 G C4' 2 1 2 G C3' 30.0 89.99999 B 2 G O5' B 2 G C5' B 2 G C4' B 2 G C3' 1 1
38 . 2 1 3 C O5' 2 1 3 C C5' 2 1 3 C C4' 2 1 3 C C3' 30.0 89.99999 B 3 C O5' B 3 C C5' B 3 C C4' B 3 C C3' 1 1
39 . 2 1 6 G O5' 2 1 6 G C5' 2 1 6 G C4' 2 1 6 G C3' 30.0 89.99999 B 6 G O5' B 6 G C5' B 6 G C4' B 6 G C3' 1 1
40 . 2 1 7 C O5' 2 1 7 C C5' 2 1 7 C C4' 2 1 7 C C3' 30.0 89.99999 B 7 C O5' B 7 C C5' B 7 C C4' B 7 C C3' 1 1
41 . 2 1 8 C O5' 2 1 8 C C5' 2 1 8 C C4' 2 1 8 C C3' 30.0 89.99999 B 8 C O5' B 8 C C5' B 8 C C4' B 8 C C3' 1 1
42 . 2 1 9 U O5' 2 1 9 U C5' 2 1 9 U C4' 2 1 9 U C3' 30.0 89.99999 B 9 U3' O5' B 9 U3' C5' B 9 U3' C4' B 9 U3' C3' 1 1
43 . 1 1 1 G C5' 1 1 1 G C4' 1 1 1 G C3' 1 1 1 G O3' 70.0 110.0 1 1 G5' C5' 1 1 G5' C4' 1 1 G5' C3' 1 1 G5' O3' 1 1
44 . 1 1 2 G C5' 1 1 2 G C4' 1 1 2 G C3' 1 1 2 G O3' 70.0 110.0 1 2 G C5' 1 2 G C4' 1 2 G C3' 1 2 G O3' 1 1
45 . 1 1 3 C C5' 1 1 3 C C4' 1 1 3 C C3' 1 1 3 C O3' 70.0 110.0 1 3 C C5' 1 3 C C4' 1 3 C C3' 1 3 C O3' 1 1
46 . 1 1 6 G C5' 1 1 6 G C4' 1 1 6 G C3' 1 1 6 G O3' 70.0 110.0 1 6 G C5' 1 6 G C4' 1 6 G C3' 1 6 G O3' 1 1
47 . 1 1 7 C C5' 1 1 7 C C4' 1 1 7 C C3' 1 1 7 C O3' 70.0 110.0 1 7 C C5' 1 7 C C4' 1 7 C C3' 1 7 C O3' 1 1
48 . 1 1 8 C C5' 1 1 8 C C4' 1 1 8 C C3' 1 1 8 C O3' 70.0 110.0 1 8 C C5' 1 8 C C4' 1 8 C C3' 1 8 C O3' 1 1
49 . 1 1 9 U C5' 1 1 9 U C4' 1 1 9 U C3' 1 1 9 U O3' 70.0 110.0 1 9 U3' C5' 1 9 U3' C4' 1 9 U3' C3' 1 9 U3' O3' 1 1
50 . 2 1 1 G C5' 2 1 1 G C4' 2 1 1 G C3' 2 1 1 G O3' 70.0 110.0 B 1 G5' C5' B 1 G5' C4' B 1 G5' C3' B 1 G5' O3' 1 1
51 . 2 1 2 G C5' 2 1 2 G C4' 2 1 2 G C3' 2 1 2 G O3' 70.0 110.0 B 2 G C5' B 2 G C4' B 2 G C3' B 2 G O3' 1 1
52 . 2 1 3 C C5' 2 1 3 C C4' 2 1 3 C C3' 2 1 3 C O3' 70.0 110.0 B 3 C C5' B 3 C C4' B 3 C C3' B 3 C O3' 1 1
53 . 2 1 6 G C5' 2 1 6 G C4' 2 1 6 G C3' 2 1 6 G O3' 70.0 110.0 B 6 G C5' B 6 G C4' B 6 G C3' B 6 G O3' 1 1
54 . 2 1 7 C C5' 2 1 7 C C4' 2 1 7 C C3' 2 1 7 C O3' 70.0 110.0 B 7 C C5' B 7 C C4' B 7 C C3' B 7 C O3' 1 1
55 . 2 1 8 C C5' 2 1 8 C C4' 2 1 8 C C3' 2 1 8 C O3' 70.0 110.0 B 8 C C5' B 8 C C4' B 8 C C3' B 8 C O3' 1 1
56 . 2 1 9 U C5' 2 1 9 U C4' 2 1 9 U C3' 2 1 9 U O3' 70.0 110.0 B 9 U3' C5' B 9 U3' C4' B 9 U3' C3' B 9 U3' O3' 1 1
57 . 1 1 1 G C4' 1 1 1 G C3' 1 1 1 G O3' 1 1 2 G P -170.0 -100.0 1 1 G5' C4' 1 1 G5' C3' 1 1 G5' O3' 1 2 G P 1 1
58 . 1 1 2 G C4' 1 1 2 G C3' 1 1 2 G O3' 1 1 3 C P -170.0 -100.0 1 2 G C4' 1 2 G C3' 1 2 G O3' 1 3 C P 1 1
59 . 1 1 3 C C4' 1 1 3 C C3' 1 1 3 C O3' 1 1 4 A P -170.0 -100.0 1 3 C C4' 1 3 C C3' 1 3 C O3' 1 4 A P 1 1
60 . 1 1 6 G C4' 1 1 6 G C3' 1 1 6 G O3' 1 1 7 C P -170.0 -100.0 1 6 G C4' 1 6 G C3' 1 6 G O3' 1 7 C P 1 1
61 . 1 1 7 C C4' 1 1 7 C C3' 1 1 7 C O3' 1 1 8 C P -170.0 -100.0 1 7 C C4' 1 7 C C3' 1 7 C O3' 1 8 C P 1 1
62 . 1 1 8 C C4' 1 1 8 C C3' 1 1 8 C O3' 1 1 9 U P -170.0 -100.0 1 8 C C4' 1 8 C C3' 1 8 C O3' 1 9 U3' P 1 1
63 . 2 1 1 G C4' 2 1 1 G C3' 2 1 1 G O3' 2 1 2 G P -170.0 -100.0 B 1 G5' C4' B 1 G5' C3' B 1 G5' O3' B 2 G P 1 1
64 . 2 1 2 G C4' 2 1 2 G C3' 2 1 2 G O3' 2 1 3 C P -170.0 -100.0 B 2 G C4' B 2 G C3' B 2 G O3' B 3 C P 1 1
65 . 2 1 3 C C4' 2 1 3 C C3' 2 1 3 C O3' 2 1 4 A P -170.0 -100.0 B 3 C C4' B 3 C C3' B 3 C O3' B 4 A P 1 1
66 . 2 1 6 G C4' 2 1 6 G C3' 2 1 6 G O3' 2 1 7 C P -170.0 -100.0 B 6 G C4' B 6 G C3' B 6 G O3' B 7 C P 1 1
67 . 2 1 7 C C4' 2 1 7 C C3' 2 1 7 C O3' 2 1 8 C P -170.0 -100.0 B 7 C C4' B 7 C C3' B 7 C O3' B 8 C P 1 1
68 . 2 1 8 C C4' 2 1 8 C C3' 2 1 8 C O3' 2 1 9 U P -170.0 -100.0 B 8 C C4' B 8 C C3' B 8 C O3' B 9 U3' P 1 1
69 . 1 1 1 G C3' 1 1 1 G O3' 1 1 2 G P 1 1 2 G O5' -150.0 150.0 1 1 G5' C3' 1 1 G5' O3' 1 2 G P 1 2 G O5' 1 1
70 . 1 1 2 G C3' 1 1 2 G O3' 1 1 3 C P 1 1 3 C O5' -150.0 150.0 1 2 G C3' 1 2 G O3' 1 3 C P 1 3 C O5' 1 1
71 . 1 1 6 G C3' 1 1 6 G O3' 1 1 7 C P 1 1 7 C O5' -150.0 150.0 1 6 G C3' 1 6 G O3' 1 7 C P 1 7 C O5' 1 1
72 . 1 1 7 C C3' 1 1 7 C O3' 1 1 8 C P 1 1 8 C O5' -150.0 150.0 1 7 C C3' 1 7 C O3' 1 8 C P 1 8 C O5' 1 1
73 . 1 1 8 C C3' 1 1 8 C O3' 1 1 9 U P 1 1 9 U O5' -150.0 150.0 1 8 C C3' 1 8 C O3' 1 9 U3' P 1 9 U3' O5' 1 1
74 . 2 1 1 G C3' 2 1 1 G O3' 2 1 2 G P 2 1 2 G O5' -150.0 150.0 B 1 G5' C3' B 1 G5' O3' B 2 G P B 2 G O5' 1 1
75 . 2 1 2 G C3' 2 1 2 G O3' 2 1 3 C P 2 1 3 C O5' -150.0 150.0 B 2 G C3' B 2 G O3' B 3 C P B 3 C O5' 1 1
76 . 2 1 6 G C3' 2 1 6 G O3' 2 1 7 C P 2 1 7 C O5' -150.0 150.0 B 6 G C3' B 6 G O3' B 7 C P B 7 C O5' 1 1
77 . 2 1 7 C C3' 2 1 7 C O3' 2 1 8 C P 2 1 8 C O5' -150.0 150.0 B 7 C C3' B 7 C O3' B 8 C P B 8 C O5' 1 1
78 . 2 1 8 C C3' 2 1 8 C O3' 2 1 9 U P 2 1 9 U O5' -150.0 150.0 B 8 C C3' B 8 C O3' B 9 U3' P B 9 U3' O5' 1 1
79 . 1 1 1 G O4' 1 1 1 G C1' 1 1 1 G N9 1 1 1 G C4 150.0 210.0 1 1 G5' O4' 1 1 G5' C1' 1 1 G5' N9 1 1 G5' C4 1 1
80 . 1 1 2 G O4' 1 1 2 G C1' 1 1 2 G N9 1 1 2 G C4 150.0 210.0 1 2 G O4' 1 2 G C1' 1 2 G N9 1 2 G C4 1 1
81 . 1 1 3 C O4' 1 1 3 C C1' 1 1 3 C N1 1 1 3 C C2 150.0 210.0 1 3 C O4' 1 3 C C1' 1 3 C N1 1 3 C C2 1 1
82 . 1 1 6 G O4' 1 1 6 G C1' 1 1 6 G N9 1 1 6 G C4 150.0 210.0 1 6 G O4' 1 6 G C1' 1 6 G N9 1 6 G C4 1 1
83 . 1 1 7 C O4' 1 1 7 C C1' 1 1 7 C N1 1 1 7 C C2 150.0 210.0 1 7 C O4' 1 7 C C1' 1 7 C N1 1 7 C C2 1 1
84 . 1 1 8 C O4' 1 1 8 C C1' 1 1 8 C N1 1 1 8 C C2 150.0 210.0 1 8 C O4' 1 8 C C1' 1 8 C N1 1 8 C C2 1 1
85 . 1 1 9 U O4' 1 1 9 U C1' 1 1 9 U N1 1 1 9 U C2 150.0 210.0 1 9 U3' O4' 1 9 U3' C1' 1 9 U3' N1 1 9 U3' C2 1 1
86 . 2 1 1 G O4' 2 1 1 G C1' 2 1 1 G N9 2 1 1 G C4 150.0 210.0 B 1 G5' O4' B 1 G5' C1' B 1 G5' N9 B 1 G5' C4 1 1
87 . 2 1 2 G O4' 2 1 2 G C1' 2 1 2 G N9 2 1 2 G C4 150.0 210.0 B 2 G O4' B 2 G C1' B 2 G N9 B 2 G C4 1 1
88 . 2 1 3 C O4' 2 1 3 C C1' 2 1 3 C N1 2 1 3 C C2 150.0 210.0 B 3 C O4' B 3 C C1' B 3 C N1 B 3 C C2 1 1
89 . 2 1 6 G O4' 2 1 6 G C1' 2 1 6 G N9 2 1 6 G C4 150.0 210.0 B 6 G O4' B 6 G C1' B 6 G N9 B 6 G C4 1 1
90 . 2 1 7 C O4' 2 1 7 C C1' 2 1 7 C N1 2 1 7 C C2 150.0 210.0 B 7 C O4' B 7 C C1' B 7 C N1 B 7 C C2 1 1
91 . 2 1 8 C O4' 2 1 8 C C1' 2 1 8 C N1 2 1 8 C C2 150.0 210.0 B 8 C O4' B 8 C C1' B 8 C N1 B 8 C C2 1 1
92 . 2 1 9 U O4' 2 1 9 U C1' 2 1 9 U N1 2 1 9 U C2 150.0 210.0 B 9 U3' O4' B 9 U3' C1' B 9 U3' N1 B 9 U3' C2 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 G C1' C 6.039 -3.454 0.186 1.00 . A A . 1 G C1' 1 1
1 2 1 1 1 G C2 C 2.898 -0.363 0.304 1.00 . A A . 1 G C2 1 1
1 3 1 1 1 G C2' C 6.935 -2.428 0.892 1.00 . A A . 1 G C2' 1 1
1 4 1 1 1 G C3' C 7.355 -3.253 2.094 1.00 . A A . 1 G C3' 1 1
1 5 1 1 1 G C4 C 3.749 -2.420 0.681 1.00 . A A . 1 G C4 1 1
1 6 1 1 1 G C4' C 7.584 -4.623 1.463 1.00 . A A . 1 G C4' 1 1
1 7 1 1 1 G C5 C 2.579 -2.901 1.230 1.00 . A A . 1 G C5 1 1
1 8 1 1 1 G C5' C 7.556 -5.788 2.467 1.00 . A A . 1 G C5' 1 1
1 9 1 1 1 G C6 C 1.437 -2.040 1.312 1.00 . A A . 1 G C6 1 1
1 10 1 1 1 G C8 C 3.974 -4.497 1.317 1.00 . A A . 1 G C8 1 1
1 11 1 1 1 G H1 H 0.934 -0.096 0.893 1.00 . A A . 1 G H1 1 1
1 12 1 1 1 G H1' H 6.001 -3.234 -0.879 1.00 . A A . 1 G H1' 1 1
1 13 1 1 1 G H2' H 6.393 -1.533 1.197 1.00 . A A . 1 G H2' 1 1
1 14 1 1 1 G H21 H 2.190 1.522 -0.008 1.00 . A A . 1 G H21 1 1
1 15 1 1 1 G H22 H 3.854 1.210 -0.505 1.00 . A A . 1 G H22 1 1
1 16 1 1 1 G H3' H 6.503 -3.282 2.774 1.00 . A A . 1 G H3' 1 1
1 17 1 1 1 G H4' H 8.565 -4.615 0.986 1.00 . A A . 1 G H4' 1 1
1 18 1 1 1 G H5' H 7.386 -6.721 1.928 1.00 . A A . 1 G H5' 1 1
1 19 1 1 1 G H5'' H 8.528 -5.845 2.957 1.00 . A A . 1 G H5'' 1 1
1 20 1 1 1 G H8 H 4.421 -5.463 1.504 1.00 . A A . 1 G H8 1 1
1 21 1 1 1 G HO2' H 8.734 -1.763 0.657 1.00 . A A . 1 G HO2' 1 1
1 22 1 1 1 G HO5' H 6.850 -4.922 4.072 1.00 . A A . 1 G HO5' 1 1
1 23 1 1 1 G N1 N 1.696 -0.758 0.840 1.00 . A A . 1 G N1 1 1
1 24 1 1 1 G N2 N 2.983 0.894 -0.112 1.00 . A A . 1 G N2 1 1
1 25 1 1 1 G N3 N 3.966 -1.164 0.190 1.00 . A A . 1 G N3 1 1
1 26 1 1 1 G N7 N 2.738 -4.227 1.625 1.00 . A A . 1 G N7 1 1
1 27 1 1 1 G N9 N 4.653 -3.459 0.725 1.00 . A A . 1 G N9 1 1
1 28 1 1 1 G O2' O 8.040 -2.087 0.074 1.00 . A A . 1 G O2' 1 1
1 29 1 1 1 G O3' O 8.514 -2.775 2.742 1.00 . A A . 1 G O3' 1 1
1 30 1 1 1 G O4' O 6.618 -4.736 0.426 1.00 . A A . 1 G O4' 1 1
1 31 1 1 1 G O5' O 6.569 -5.636 3.472 1.00 . A A . 1 G O5' 1 1
1 32 1 1 1 G O6 O 0.310 -2.298 1.726 1.00 . A A . 1 G O6 1 1
1 33 1 1 2 G C1' C 5.034 1.530 2.922 1.00 . A A . 2 G C1' 1 1
1 34 1 1 2 G C2 C 0.825 2.436 3.548 1.00 . A A . 2 G C2 1 1
1 35 1 1 2 G C2' C 5.444 2.518 4.014 1.00 . A A . 2 G C2' 1 1
1 36 1 1 2 G C3' C 6.640 1.818 4.655 1.00 . A A . 2 G C3' 1 1
1 37 1 1 2 G C4 C 2.626 1.076 3.557 1.00 . A A . 2 G C4 1 1
1 38 1 1 2 G C4' C 7.270 1.210 3.405 1.00 . A A . 2 G C4' 1 1
1 39 1 1 2 G C5 C 1.924 -0.011 4.030 1.00 . A A . 2 G C5 1 1
1 40 1 1 2 G C5' C 8.275 0.092 3.685 1.00 . A A . 2 G C5' 1 1
1 41 1 1 2 G C6 C 0.513 0.123 4.269 1.00 . A A . 2 G C6 1 1
1 42 1 1 2 G C8 C 3.948 -0.647 3.795 1.00 . A A . 2 G C8 1 1
1 43 1 1 2 G H1 H -0.938 1.578 4.187 1.00 . A A . 2 G H1 1 1
1 44 1 1 2 G H1' H 4.683 2.087 2.052 1.00 . A A . 2 G H1' 1 1
1 45 1 1 2 G H2' H 4.647 2.688 4.736 1.00 . A A . 2 G H2' 1 1
1 46 1 1 2 G H21 H -0.743 3.748 3.596 1.00 . A A . 2 G H21 1 1
1 47 1 1 2 G H22 H 0.800 4.367 3.011 1.00 . A A . 2 G H22 1 1
1 48 1 1 2 G H3' H 6.305 1.021 5.321 1.00 . A A . 2 G H3' 1 1
1 49 1 1 2 G H4' H 7.794 2.009 2.877 1.00 . A A . 2 G H4' 1 1
1 50 1 1 2 G H5' H 8.735 -0.187 2.736 1.00 . A A . 2 G H5' 1 1
1 51 1 1 2 G H5'' H 9.055 0.466 4.350 1.00 . A A . 2 G H5'' 1 1
1 52 1 1 2 G H8 H 4.845 -1.253 3.778 1.00 . A A . 2 G H8 1 1
1 53 1 1 2 G HO2' H 6.353 4.219 4.042 1.00 . A A . 2 G HO2' 1 1
1 54 1 1 2 G N1 N 0.044 1.408 4.019 1.00 . A A . 2 G N1 1 1
1 55 1 1 2 G N2 N 0.239 3.612 3.366 1.00 . A A . 2 G N2 1 1
1 56 1 1 2 G N3 N 2.134 2.320 3.291 1.00 . A A . 2 G N3 1 1
1 57 1 1 2 G N7 N 2.785 -1.100 4.179 1.00 . A A . 2 G N7 1 1
1 58 1 1 2 G N9 N 3.929 0.667 3.400 1.00 . A A . 2 G N9 1 1
1 59 1 1 2 G O2' O 5.820 3.738 3.401 1.00 . A A . 2 G O2' 1 1
1 60 1 1 2 G O3' O 7.509 2.728 5.313 1.00 . A A . 2 G O3' 1 1
1 61 1 1 2 G O4' O 6.193 0.776 2.584 1.00 . A A . 2 G O4' 1 1
1 62 1 1 2 G O5' O 7.671 -1.050 4.266 1.00 . A A . 2 G O5' 1 1
1 63 1 1 2 G O6 O -0.293 -0.721 4.656 1.00 . A A . 2 G O6 1 1
1 64 1 1 2 G OP1 O 9.857 -2.203 4.772 1.00 . A A . 2 G OP1 1 1
1 65 1 1 2 G OP2 O 7.636 -3.484 4.963 1.00 . A A . 2 G OP2 1 1
1 66 1 1 2 G P P 8.473 -2.448 4.313 1.00 . A A . 2 G P 1 1
1 67 1 1 3 C C1' C 2.335 4.980 6.109 1.00 . A A . 3 C C1' 1 1
1 68 1 1 3 C C2 C 0.505 3.464 6.806 1.00 . A A . 3 C C2 1 1
1 69 1 1 3 C C2' C 2.336 6.009 7.234 1.00 . A A . 3 C C2' 1 1
1 70 1 1 3 C C3' C 3.797 6.047 7.669 1.00 . A A . 3 C C3' 1 1
1 71 1 1 3 C C4 C 0.887 1.236 7.395 1.00 . A A . 3 C C4 1 1
1 72 1 1 3 C C4' C 4.478 5.861 6.314 1.00 . A A . 3 C C4' 1 1
1 73 1 1 3 C C5 C 2.304 1.397 7.253 1.00 . A A . 3 C C5 1 1
1 74 1 1 3 C C5' C 5.920 5.351 6.411 1.00 . A A . 3 C C5' 1 1
1 75 1 1 3 C C6 C 2.756 2.619 6.875 1.00 . A A . 3 C C6 1 1
1 76 1 1 3 C H1' H 1.635 5.310 5.340 1.00 . A A . 3 C H1' 1 1
1 77 1 1 3 C H2' H 1.690 5.716 8.058 1.00 . A A . 3 C H2' 1 1
1 78 1 1 3 C H3' H 4.025 5.202 8.322 1.00 . A A . 3 C H3' 1 1
1 79 1 1 3 C H4' H 4.486 6.827 5.809 1.00 . A A . 3 C H4' 1 1
1 80 1 1 3 C H41 H -0.648 0.006 7.800 1.00 . A A . 3 C H41 1 1
1 81 1 1 3 C H42 H 0.948 -0.739 7.874 1.00 . A A . 3 C H42 1 1
1 82 1 1 3 C H5 H 3.009 0.599 7.436 1.00 . A A . 3 C H5 1 1
1 83 1 1 3 C H5' H 6.386 5.425 5.430 1.00 . A A . 3 C H5' 1 1
1 84 1 1 3 C H5'' H 6.479 5.973 7.112 1.00 . A A . 3 C H5'' 1 1
1 85 1 1 3 C H6 H 3.819 2.774 6.772 1.00 . A A . 3 C H6 1 1
1 86 1 1 3 C HO2' H 2.344 7.937 7.242 1.00 . A A . 3 C HO2' 1 1
1 87 1 1 3 C N1 N 1.881 3.651 6.616 1.00 . A A . 3 C N1 1 1
1 88 1 1 3 C N3 N 0.043 2.246 7.190 1.00 . A A . 3 C N3 1 1
1 89 1 1 3 C N4 N 0.363 0.066 7.726 1.00 . A A . 3 C N4 1 1
1 90 1 1 3 C O2 O -0.299 4.378 6.629 1.00 . A A . 3 C O2 1 1
1 91 1 1 3 C O2' O 1.928 7.257 6.701 1.00 . A A . 3 C O2' 1 1
1 92 1 1 3 C O3' O 4.101 7.291 8.281 1.00 . A A . 3 C O3' 1 1
1 93 1 1 3 C O4' O 3.651 4.974 5.565 1.00 . A A . 3 C O4' 1 1
1 94 1 1 3 C O5' O 5.944 4.004 6.846 1.00 . A A . 3 C O5' 1 1
1 95 1 1 3 C OP1 O 8.420 4.027 7.244 1.00 . A A . 3 C OP1 1 1
1 96 1 1 3 C OP2 O 7.044 1.902 7.631 1.00 . A A . 3 C OP2 1 1
1 97 1 1 3 C P P 7.303 3.137 6.862 1.00 . A A . 3 C P 1 1
1 98 1 1 4 A C1' C -0.880 5.150 10.259 1.00 . A A . 4 A C1' 1 1
1 99 1 1 4 A C2 C -1.748 0.896 10.900 1.00 . A A . 4 A C2 1 1
1 100 1 1 4 A C2' C -1.240 5.780 11.608 1.00 . A A . 4 A C2' 1 1
1 101 1 1 4 A C3' C -0.141 6.835 11.759 1.00 . A A . 4 A C3' 1 1
1 102 1 1 4 A C4 C -0.417 2.668 10.624 1.00 . A A . 4 A C4 1 1
1 103 1 1 4 A C4' C -0.001 7.301 10.311 1.00 . A A . 4 A C4' 1 1
1 104 1 1 4 A C5 C 0.720 1.902 10.704 1.00 . A A . 4 A C5 1 1
1 105 1 1 4 A C5' C 1.338 7.989 10.011 1.00 . A A . 4 A C5' 1 1
1 106 1 1 4 A C6 C 0.515 0.515 10.891 1.00 . A A . 4 A C6 1 1
1 107 1 1 4 A C8 C 1.376 3.896 10.415 1.00 . A A . 4 A C8 1 1
1 108 1 1 4 A H1' H -1.791 4.833 9.750 1.00 . A A . 4 A H1' 1 1
1 109 1 1 4 A H2 H -2.730 0.458 10.980 1.00 . A A . 4 A H2 1 1
1 110 1 1 4 A H2' H -1.211 5.053 12.422 1.00 . A A . 4 A H2' 1 1
1 111 1 1 4 A H3' H 0.782 6.355 12.088 1.00 . A A . 4 A H3' 1 1
1 112 1 1 4 A H4' H -0.802 8.015 10.116 1.00 . A A . 4 A H4' 1 1
1 113 1 1 4 A H5' H 1.328 8.347 8.983 1.00 . A A . 4 A H5' 1 1
1 114 1 1 4 A H5'' H 1.454 8.845 10.676 1.00 . A A . 4 A H5'' 1 1
1 115 1 1 4 A H61 H 1.254 -1.345 11.099 1.00 . A A . 4 A H61 1 1
1 116 1 1 4 A H62 H 2.456 -0.069 10.878 1.00 . A A . 4 A H62 1 1
1 117 1 1 4 A H8 H 2.012 4.756 10.285 1.00 . A A . 4 A H8 1 1
1 118 1 1 4 A HO2' H -2.674 6.901 12.299 1.00 . A A . 4 A HO2' 1 1
1 119 1 1 4 A N1 N -0.736 0.037 10.989 1.00 . A A . 4 A N1 1 1
1 120 1 1 4 A N3 N -1.701 2.218 10.718 1.00 . A A . 4 A N3 1 1
1 121 1 1 4 A N6 N 1.500 -0.379 10.956 1.00 . A A . 4 A N6 1 1
1 122 1 1 4 A N7 N 1.858 2.694 10.567 1.00 . A A . 4 A N7 1 1
1 123 1 1 4 A N9 N 0.002 3.965 10.422 1.00 . A A . 4 A N9 1 1
1 124 1 1 4 A O2' O -2.528 6.366 11.508 1.00 . A A . 4 A O2' 1 1
1 125 1 1 4 A O3' O -0.472 7.919 12.614 1.00 . A A . 4 A O3' 1 1
1 126 1 1 4 A O4' O -0.233 6.160 9.493 1.00 . A A . 4 A O4' 1 1
1 127 1 1 4 A O5' O 2.423 7.100 10.200 1.00 . A A . 4 A O5' 1 1
1 128 1 1 4 A OP1 O 4.112 8.960 10.140 1.00 . A A . 4 A OP1 1 1
1 129 1 1 4 A OP2 O 4.834 6.538 10.546 1.00 . A A . 4 A OP2 1 1
1 130 1 1 4 A P P 3.951 7.513 9.874 1.00 . A A . 4 A P 1 1
1 131 1 1 5 A C1' C -5.920 6.575 13.663 1.00 . A A . 5 A C1' 1 1
1 132 1 1 5 A C2 C -8.086 2.928 14.642 1.00 . A A . 5 A C2 1 1
1 133 1 1 5 A C2' C -6.413 7.296 14.911 1.00 . A A . 5 A C2' 1 1
1 134 1 1 5 A C3' C -5.193 8.102 15.344 1.00 . A A . 5 A C3' 1 1
1 135 1 1 5 A C4 C -6.249 4.144 14.300 1.00 . A A . 5 A C4 1 1
1 136 1 1 5 A C4' C -4.626 8.475 13.972 1.00 . A A . 5 A C4' 1 1
1 137 1 1 5 A C5 C -5.424 3.058 14.439 1.00 . A A . 5 A C5 1 1
1 138 1 1 5 A C5' C -3.133 8.810 13.981 1.00 . A A . 5 A C5' 1 1
1 139 1 1 5 A C6 C -6.072 1.823 14.680 1.00 . A A . 5 A C6 1 1
1 140 1 1 5 A C8 C -4.157 4.721 14.060 1.00 . A A . 5 A C8 1 1
1 141 1 1 5 A H1' H -6.745 6.475 12.957 1.00 . A A . 5 A H1' 1 1
1 142 1 1 5 A H2 H -9.160 2.853 14.730 1.00 . A A . 5 A H2 1 1
1 143 1 1 5 A H2' H -6.714 6.599 15.685 1.00 . A A . 5 A H2' 1 1
1 144 1 1 5 A H3' H -4.483 7.472 15.883 1.00 . A A . 5 A H3' 1 1
1 145 1 1 5 A H4' H -5.175 9.345 13.611 1.00 . A A . 5 A H4' 1 1
1 146 1 1 5 A H5' H -2.862 9.223 13.008 1.00 . A A . 5 A H5' 1 1
1 147 1 1 5 A H5'' H -2.936 9.560 14.749 1.00 . A A . 5 A H5'' 1 1
1 148 1 1 5 A H61 H -5.977 -0.190 14.846 1.00 . A A . 5 A H61 1 1
1 149 1 1 5 A H62 H -4.427 0.633 14.669 1.00 . A A . 5 A H62 1 1
1 150 1 1 5 A H8 H -3.279 5.327 13.900 1.00 . A A . 5 A H8 1 1
1 151 1 1 5 A HO2' H -7.475 8.881 15.184 1.00 . A A . 5 A HO2' 1 1
1 152 1 1 5 A N1 N -7.413 1.790 14.784 1.00 . A A . 5 A N1 1 1
1 153 1 1 5 A N3 N -7.609 4.145 14.393 1.00 . A A . 5 A N3 1 1
1 154 1 1 5 A N6 N -5.436 0.660 14.776 1.00 . A A . 5 A N6 1 1
1 155 1 1 5 A N7 N -4.092 3.438 14.289 1.00 . A A . 5 A N7 1 1
1 156 1 1 5 A N9 N -5.438 5.217 14.010 1.00 . A A . 5 A N9 1 1
1 157 1 1 5 A O2' O -7.494 8.144 14.564 1.00 . A A . 5 A O2' 1 1
1 158 1 1 5 A O3' O -5.607 9.223 16.111 1.00 . A A . 5 A O3' 1 1
1 159 1 1 5 A O4' O -4.898 7.385 13.098 1.00 . A A . 5 A O4' 1 1
1 160 1 1 5 A O5' O -2.349 7.656 14.227 1.00 . A A . 5 A O5' 1 1
1 161 1 1 5 A OP1 O -0.305 8.959 14.887 1.00 . A A . 5 A OP1 1 1
1 162 1 1 5 A OP2 O -0.207 6.411 14.608 1.00 . A A . 5 A OP2 1 1
1 163 1 1 5 A P P -0.738 7.727 14.194 1.00 . A A . 5 A P 1 1
1 164 1 1 6 G C1' C -7.203 4.087 17.995 1.00 . A A . 6 G C1' 1 1
1 165 1 1 6 G C2 C -4.676 0.528 18.061 1.00 . A A . 6 G C2 1 1
1 166 1 1 6 G C2' C -7.641 4.127 19.454 1.00 . A A . 6 G C2' 1 1
1 167 1 1 6 G C3' C -7.689 5.626 19.750 1.00 . A A . 6 G C3' 1 1
1 168 1 1 6 G C4 C -5.048 2.748 17.906 1.00 . A A . 6 G C4 1 1
1 169 1 1 6 G C4' C -8.176 6.165 18.403 1.00 . A A . 6 G C4' 1 1
1 170 1 1 6 G C5 C -3.716 3.051 17.723 1.00 . A A . 6 G C5 1 1
1 171 1 1 6 G C5' C -7.793 7.629 18.137 1.00 . A A . 6 G C5' 1 1
1 172 1 1 6 G C6 C -2.753 1.988 17.691 1.00 . A A . 6 G C6 1 1
1 173 1 1 6 G C8 C -4.762 4.900 17.710 1.00 . A A . 6 G C8 1 1
1 174 1 1 6 G H1 H -2.695 -0.048 17.899 1.00 . A A . 6 G H1 1 1
1 175 1 1 6 G H1' H -7.671 3.232 17.505 1.00 . A A . 6 G H1' 1 1
1 176 1 1 6 G H2' H -6.942 3.608 20.108 1.00 . A A . 6 G H2' 1 1
1 177 1 1 6 G H21 H -4.375 -1.463 18.350 1.00 . A A . 6 G H21 1 1
1 178 1 1 6 G H22 H -6.046 -0.899 18.409 1.00 . A A . 6 G H22 1 1
1 179 1 1 6 G H3' H -6.685 6.001 19.958 1.00 . A A . 6 G H3' 1 1
1 180 1 1 6 G H4' H -9.263 6.086 18.387 1.00 . A A . 6 G H4' 1 1
1 181 1 1 6 G H5' H -8.226 7.941 17.187 1.00 . A A . 6 G H5' 1 1
1 182 1 1 6 G H5'' H -8.200 8.256 18.932 1.00 . A A . 6 G H5'' 1 1
1 183 1 1 6 G H8 H -4.972 5.955 17.657 1.00 . A A . 6 G H8 1 1
1 184 1 1 6 G HO2' H -9.352 3.933 20.318 1.00 . A A . 6 G HO2' 1 1
1 185 1 1 6 G N1 N -3.330 0.737 17.874 1.00 . A A . 6 G N1 1 1
1 186 1 1 6 G N2 N -5.067 -0.723 18.262 1.00 . A A . 6 G N2 1 1
1 187 1 1 6 G N3 N -5.590 1.508 18.083 1.00 . A A . 6 G N3 1 1
1 188 1 1 6 G N7 N -3.550 4.429 17.614 1.00 . A A . 6 G N7 1 1
1 189 1 1 6 G N9 N -5.731 3.941 17.871 1.00 . A A . 6 G N9 1 1
1 190 1 1 6 G O2' O -8.930 3.547 19.545 1.00 . A A . 6 G O2' 1 1
1 191 1 1 6 G O3' O -8.594 5.929 20.802 1.00 . A A . 6 G O3' 1 1
1 192 1 1 6 G O4' O -7.664 5.293 17.403 1.00 . A A . 6 G O4' 1 1
1 193 1 1 6 G O5' O -6.386 7.781 18.092 1.00 . A A . 6 G O5' 1 1
1 194 1 1 6 G O6 O -1.534 2.053 17.543 1.00 . A A . 6 G O6 1 1
1 195 1 1 6 G OP1 O -6.542 10.288 18.166 1.00 . A A . 6 G OP1 1 1
1 196 1 1 6 G OP2 O -4.273 9.107 18.216 1.00 . A A . 6 G OP2 1 1
1 197 1 1 6 G P P -5.665 9.181 17.726 1.00 . A A . 6 G P 1 1
1 198 1 1 7 C C1' C -6.348 0.769 22.157 1.00 . A A . 7 C C1' 1 1
1 199 1 1 7 C C2 C -3.965 0.543 21.466 1.00 . A A . 7 C C2 1 1
1 200 1 1 7 C C2' C -6.391 0.586 23.674 1.00 . A A . 7 C C2' 1 1
1 201 1 1 7 C C3' C -7.097 1.863 24.127 1.00 . A A . 7 C C3' 1 1
1 202 1 1 7 C C4 C -2.620 2.418 21.067 1.00 . A A . 7 C C4 1 1
1 203 1 1 7 C C4' C -8.130 1.993 23.008 1.00 . A A . 7 C C4' 1 1
1 204 1 1 7 C C5 C -3.691 3.305 21.413 1.00 . A A . 7 C C5 1 1
1 205 1 1 7 C C5' C -8.754 3.390 22.905 1.00 . A A . 7 C C5' 1 1
1 206 1 1 7 C C6 C -4.877 2.747 21.742 1.00 . A A . 7 C C6 1 1
1 207 1 1 7 C H1' H -6.452 -0.206 21.677 1.00 . A A . 7 C H1' 1 1
1 208 1 1 7 C H2' H -5.395 0.504 24.101 1.00 . A A . 7 C H2' 1 1
1 209 1 1 7 C H3' H -6.400 2.708 24.088 1.00 . A A . 7 C H3' 1 1
1 210 1 1 7 C H4' H -8.930 1.279 23.206 1.00 . A A . 7 C H4' 1 1
1 211 1 1 7 C H41 H -0.697 2.252 20.469 1.00 . A A . 7 C H41 1 1
1 212 1 1 7 C H42 H -1.319 3.892 20.573 1.00 . A A . 7 C H42 1 1
1 213 1 1 7 C H5 H -3.613 4.378 21.437 1.00 . A A . 7 C H5 1 1
1 214 1 1 7 C H5' H -9.511 3.385 22.122 1.00 . A A . 7 C H5' 1 1
1 215 1 1 7 C H5'' H -9.235 3.635 23.853 1.00 . A A . 7 C H5'' 1 1
1 216 1 1 7 C H6 H -5.692 3.398 22.008 1.00 . A A . 7 C H6 1 1
1 217 1 1 7 C HO2' H -7.420 -0.494 24.897 1.00 . A A . 7 C HO2' 1 1
1 218 1 1 7 C N1 N -5.051 1.384 21.745 1.00 . A A . 7 C N1 1 1
1 219 1 1 7 C N3 N -2.767 1.092 21.119 1.00 . A A . 7 C N3 1 1
1 220 1 1 7 C N4 N -1.444 2.901 20.691 1.00 . A A . 7 C N4 1 1
1 221 1 1 7 C O2 O -4.068 -0.680 21.544 1.00 . A A . 7 C O2 1 1
1 222 1 1 7 C O2' O -7.149 -0.570 23.978 1.00 . A A . 7 C O2' 1 1
1 223 1 1 7 C O3' O -7.711 1.725 25.401 1.00 . A A . 7 C O3' 1 1
1 224 1 1 7 C O4' O -7.467 1.586 21.814 1.00 . A A . 7 C O4' 1 1
1 225 1 1 7 C O5' O -7.771 4.365 22.617 1.00 . A A . 7 C O5' 1 1
1 226 1 1 7 C OP1 O -9.319 6.259 23.171 1.00 . A A . 7 C OP1 1 1
1 227 1 1 7 C OP2 O -6.896 6.700 22.471 1.00 . A A . 7 C OP2 1 1
1 228 1 1 7 C P P -8.139 5.911 22.350 1.00 . A A . 7 C P 1 1
1 229 1 1 8 C C1' C -3.165 -1.608 25.829 1.00 . A A . 8 C C1' 1 1
1 230 1 1 8 C C2 C -1.094 -0.679 24.834 1.00 . A A . 8 C C2 1 1
1 231 1 1 8 C C2' C -2.773 -1.843 27.285 1.00 . A A . 8 C C2' 1 1
1 232 1 1 8 C C3' C -3.885 -1.136 28.054 1.00 . A A . 8 C C3' 1 1
1 233 1 1 8 C C4 C -0.935 1.549 24.142 1.00 . A A . 8 C C4 1 1
1 234 1 1 8 C C4' C -5.077 -1.442 27.144 1.00 . A A . 8 C C4' 1 1
1 235 1 1 8 C C5 C -2.255 1.836 24.617 1.00 . A A . 8 C C5 1 1
1 236 1 1 8 C C5' C -6.250 -0.470 27.317 1.00 . A A . 8 C C5' 1 1
1 237 1 1 8 C C6 C -2.945 0.813 25.177 1.00 . A A . 8 C C6 1 1
1 238 1 1 8 C H1' H -2.915 -2.502 25.254 1.00 . A A . 8 C H1' 1 1
1 239 1 1 8 C H2' H -1.797 -1.424 27.522 1.00 . A A . 8 C H2' 1 1
1 240 1 1 8 C H3' H -3.704 -0.060 28.080 1.00 . A A . 8 C H3' 1 1
1 241 1 1 8 C H4' H -5.423 -2.451 27.369 1.00 . A A . 8 C H4' 1 1
1 242 1 1 8 C H41 H 0.751 2.257 23.307 1.00 . A A . 8 C H41 1 1
1 243 1 1 8 C H42 H -0.545 3.436 23.505 1.00 . A A . 8 C H42 1 1
1 244 1 1 8 C H5 H -2.702 2.817 24.558 1.00 . A A . 8 C H5 1 1
1 245 1 1 8 C H5' H -7.092 -0.821 26.721 1.00 . A A . 8 C H5' 1 1
1 246 1 1 8 C H5'' H -6.547 -0.440 28.366 1.00 . A A . 8 C H5'' 1 1
1 247 1 1 8 C H6 H -3.932 1.009 25.561 1.00 . A A . 8 C H6 1 1
1 248 1 1 8 C HO2' H -3.042 -3.348 28.461 1.00 . A A . 8 C HO2' 1 1
1 249 1 1 8 C N1 N -2.409 -0.453 25.258 1.00 . A A . 8 C N1 1 1
1 250 1 1 8 C N3 N -0.390 0.341 24.276 1.00 . A A . 8 C N3 1 1
1 251 1 1 8 C N4 N -0.190 2.500 23.601 1.00 . A A . 8 C N4 1 1
1 252 1 1 8 C O2 O -0.553 -1.775 24.970 1.00 . A A . 8 C O2 1 1
1 253 1 1 8 C O2' O -2.787 -3.237 27.539 1.00 . A A . 8 C O2' 1 1
1 254 1 1 8 C O3' O -4.020 -1.680 29.358 1.00 . A A . 8 C O3' 1 1
1 255 1 1 8 C O4' O -4.578 -1.428 25.810 1.00 . A A . 8 C O4' 1 1
1 256 1 1 8 C O5' O -5.873 0.824 26.891 1.00 . A A . 8 C O5' 1 1
1 257 1 1 8 C OP1 O -7.890 1.921 27.889 1.00 . A A . 8 C OP1 1 1
1 258 1 1 8 C OP2 O -6.150 3.283 26.593 1.00 . A A . 8 C OP2 1 1
1 259 1 1 8 C P P -6.923 2.037 26.776 1.00 . A A . 8 C P 1 1
1 260 1 1 9 U C1' C 1.619 -0.795 28.234 1.00 . A A . 9 U C1' 1 1
1 261 1 1 9 U C2 C 2.137 1.320 27.070 1.00 . A A . 9 U C2 1 1
1 262 1 1 9 U C2' C 2.354 -0.643 29.571 1.00 . A A . 9 U C2' 1 1
1 263 1 1 9 U C3' C 1.272 -1.028 30.576 1.00 . A A . 9 U C3' 1 1
1 264 1 1 9 U C4 C 0.461 3.105 26.778 1.00 . A A . 9 U C4 1 1
1 265 1 1 9 U C4' C 0.519 -2.108 29.799 1.00 . A A . 9 U C4' 1 1
1 266 1 1 9 U C5 C -0.459 2.256 27.511 1.00 . A A . 9 U C5 1 1
1 267 1 1 9 U C5' C -0.909 -2.339 30.309 1.00 . A A . 9 U C5' 1 1
1 268 1 1 9 U C6 C -0.090 1.026 27.952 1.00 . A A . 9 U C6 1 1
1 269 1 1 9 U H1' H 2.296 -1.236 27.502 1.00 . A A . 9 U H1' 1 1
1 270 1 1 9 U H2' H 2.697 0.379 29.741 1.00 . A A . 9 U H2' 1 1
1 271 1 1 9 U H3 H 2.382 3.096 26.064 1.00 . A A . 9 U H3 1 1
1 272 1 1 9 U H3' H 0.622 -0.173 30.765 1.00 . A A . 9 U H3' 1 1
1 273 1 1 9 U H4' H 1.077 -3.042 29.873 1.00 . A A . 9 U H4' 1 1
1 274 1 1 9 U H5 H -1.459 2.619 27.700 1.00 . A A . 9 U H5 1 1
1 275 1 1 9 U H5' H -1.372 -3.136 29.729 1.00 . A A . 9 U H5' 1 1
1 276 1 1 9 U H5'' H -0.869 -2.642 31.356 1.00 . A A . 9 U H5'' 1 1
1 277 1 1 9 U H6 H -0.810 0.432 28.495 1.00 . A A . 9 U H6 1 1
1 278 1 1 9 U HO2' H 4.104 -1.258 28.951 1.00 . A A . 9 U HO2' 1 1
1 279 1 1 9 U HO3' H 2.683 -1.908 31.531 1.00 . A A . 9 U HO3' 1 1
1 280 1 1 9 U N1 N 1.179 0.536 27.723 1.00 . A A . 9 U N1 1 1
1 281 1 1 9 U N3 N 1.718 2.552 26.591 1.00 . A A . 9 U N3 1 1
1 282 1 1 9 U O2 O 3.308 0.970 26.935 1.00 . A A . 9 U O2 1 1
1 283 1 1 9 U O2' O 3.455 -1.541 29.604 1.00 . A A . 9 U O2' 1 1
1 284 1 1 9 U O3' O 1.848 -1.497 31.778 1.00 . A A . 9 U O3' 1 1
1 285 1 1 9 U O4 O 0.209 4.223 26.342 1.00 . A A . 9 U O4 1 1
1 286 1 1 9 U O4' O 0.531 -1.688 28.441 1.00 . A A . 9 U O4' 1 1
1 287 1 1 9 U O5' O -1.668 -1.150 30.190 1.00 . A A . 9 U O5' 1 1
1 288 1 1 9 U OP1 O -3.434 -1.964 31.774 1.00 . A A . 9 U OP1 1 1
1 289 1 1 9 U OP2 O -3.573 0.366 30.725 1.00 . A A . 9 U OP2 1 1
1 290 1 1 9 U P P -3.221 -1.065 30.619 1.00 . A A . 9 U P 1 1
1 291 2 1 1 G C1' C 7.437 -1.661 24.672 1.00 . B B . 1 G C1' 1 1
1 292 2 1 1 G C2 C 3.030 -1.564 24.732 1.00 . B B . 1 G C2 1 1
1 293 2 1 1 G C2' C 7.288 -3.000 23.941 1.00 . B B . 1 G C2' 1 1
1 294 2 1 1 G C3' C 8.107 -2.703 22.698 1.00 . B B . 1 G C3' 1 1
1 295 2 1 1 G C4 C 5.082 -0.727 24.301 1.00 . B B . 1 G C4 1 1
1 296 2 1 1 G C4' C 9.278 -1.911 23.276 1.00 . B B . 1 G C4' 1 1
1 297 2 1 1 G C5 C 4.591 0.461 23.802 1.00 . B B . 1 G C5 1 1
1 298 2 1 1 G C5' C 10.009 -1.029 22.249 1.00 . B B . 1 G C5' 1 1
1 299 2 1 1 G C6 C 3.175 0.680 23.781 1.00 . B B . 1 G C6 1 1
1 300 2 1 1 G C8 C 6.702 0.579 23.637 1.00 . B B . 1 G C8 1 1
1 301 2 1 1 G H1 H 1.448 -0.325 24.240 1.00 . B B . 1 G H1 1 1
1 302 2 1 1 G H1' H 7.304 -1.813 25.741 1.00 . B B . 1 G H1' 1 1
1 303 2 1 1 G H2' H 6.254 -3.230 23.684 1.00 . B B . 1 G H2' 1 1
1 304 2 1 1 G H21 H 1.199 -2.383 25.087 1.00 . B B . 1 G H21 1 1
1 305 2 1 1 G H22 H 2.600 -3.375 25.494 1.00 . B B . 1 G H22 1 1
1 306 2 1 1 G H3' H 7.491 -2.069 22.060 1.00 . B B . 1 G H3' 1 1
1 307 2 1 1 G H4' H 9.999 -2.623 23.680 1.00 . B B . 1 G H4' 1 1
1 308 2 1 1 G H5' H 10.563 -0.251 22.775 1.00 . B B . 1 G H5' 1 1
1 309 2 1 1 G H5'' H 10.721 -1.651 21.706 1.00 . B B . 1 G H5'' 1 1
1 310 2 1 1 G H8 H 7.699 0.938 23.421 1.00 . B B . 1 G H8 1 1
1 311 2 1 1 G HO2' H 8.085 -4.754 24.096 1.00 . B B . 1 G HO2' 1 1
1 312 2 1 1 G HO5' H 8.816 -1.131 20.703 1.00 . B B . 1 G HO5' 1 1
1 313 2 1 1 G N1 N 2.455 -0.412 24.252 1.00 . B B . 1 G N1 1 1
1 314 2 1 1 G N2 N 2.206 -2.515 25.152 1.00 . B B . 1 G N2 1 1
1 315 2 1 1 G N3 N 4.352 -1.772 24.793 1.00 . B B . 1 G N3 1 1
1 316 2 1 1 G N7 N 5.636 1.284 23.391 1.00 . B B . 1 G N7 1 1
1 317 2 1 1 G N9 N 6.454 -0.648 24.203 1.00 . B B . 1 G N9 1 1
1 318 2 1 1 G O2' O 7.853 -4.048 24.708 1.00 . B B . 1 G O2' 1 1
1 319 2 1 1 G O3' O 8.539 -3.859 22.015 1.00 . B B . 1 G O3' 1 1
1 320 2 1 1 G O4' O 8.751 -1.186 24.381 1.00 . B B . 1 G O4' 1 1
1 321 2 1 1 G O5' O 9.141 -0.433 21.300 1.00 . B B . 1 G O5' 1 1
1 322 2 1 1 G O6 O 2.559 1.679 23.419 1.00 . B B . 1 G O6 1 1
1 323 2 1 2 G C1' C 3.057 -4.392 22.068 1.00 . B B . 2 G C1' 1 1
1 324 2 1 2 G C2 C -0.548 -1.987 21.677 1.00 . B B . 2 G C2 1 1
1 325 2 1 2 G C2' C 2.582 -5.351 20.977 1.00 . B B . 2 G C2' 1 1
1 326 2 1 2 G C3' C 3.885 -5.710 20.268 1.00 . B B . 2 G C3' 1 1
1 327 2 1 2 G C4 C 1.678 -2.333 21.547 1.00 . B B . 2 G C4 1 1
1 328 2 1 2 G C4' C 4.819 -5.761 21.473 1.00 . B B . 2 G C4' 1 1
1 329 2 1 2 G C5 C 1.947 -1.061 21.091 1.00 . B B . 2 G C5 1 1
1 330 2 1 2 G C5' C 6.306 -5.691 21.121 1.00 . B B . 2 G C5' 1 1
1 331 2 1 2 G C6 C 0.859 -0.136 20.929 1.00 . B B . 2 G C6 1 1
1 332 2 1 2 G C8 C 3.822 -2.075 21.212 1.00 . B B . 2 G C8 1 1
1 333 2 1 2 G H1 H -1.189 -0.108 21.118 1.00 . B B . 2 G H1 1 1
1 334 2 1 2 G H1' H 2.454 -4.547 22.964 1.00 . B B . 2 G H1' 1 1
1 335 2 1 2 G H2' H 1.873 -4.884 20.297 1.00 . B B . 2 G H2' 1 1
1 336 2 1 2 G H21 H -2.581 -1.773 21.739 1.00 . B B . 2 G H21 1 1
1 337 2 1 2 G H22 H -1.926 -3.326 22.251 1.00 . B B . 2 G H22 1 1
1 338 2 1 2 G H3' H 4.191 -4.903 19.599 1.00 . B B . 2 G H3' 1 1
1 339 2 1 2 G H4' H 4.640 -6.704 21.991 1.00 . B B . 2 G H4' 1 1
1 340 2 1 2 G H5' H 6.873 -5.843 22.039 1.00 . B B . 2 G H5' 1 1
1 341 2 1 2 G H5'' H 6.552 -6.494 20.425 1.00 . B B . 2 G H5'' 1 1
1 342 2 1 2 G H8 H 4.880 -2.296 21.174 1.00 . B B . 2 G H8 1 1
1 343 2 1 2 G HO2' H 1.990 -7.186 20.942 1.00 . B B . 2 G HO2' 1 1
1 344 2 1 2 G N1 N -0.377 -0.699 21.230 1.00 . B B . 2 G N1 1 1
1 345 2 1 2 G N2 N -1.790 -2.389 21.913 1.00 . B B . 2 G N2 1 1
1 346 2 1 2 G N3 N 0.456 -2.852 21.862 1.00 . B B . 2 G N3 1 1
1 347 2 1 2 G N7 N 3.320 -0.916 20.880 1.00 . B B . 2 G N7 1 1
1 348 2 1 2 G N9 N 2.885 -2.987 21.629 1.00 . B B . 2 G N9 1 1
1 349 2 1 2 G O2' O 1.997 -6.482 21.597 1.00 . B B . 2 G O2' 1 1
1 350 2 1 2 G O3' O 3.807 -6.956 19.592 1.00 . B B . 2 G O3' 1 1
1 351 2 1 2 G O4' O 4.419 -4.703 22.337 1.00 . B B . 2 G O4' 1 1
1 352 2 1 2 G O5' O 6.668 -4.447 20.547 1.00 . B B . 2 G O5' 1 1
1 353 2 1 2 G O6 O 0.886 1.039 20.569 1.00 . B B . 2 G O6 1 1
1 354 2 1 2 G OP1 O 9.006 -5.169 19.937 1.00 . B B . 2 G OP1 1 1
1 355 2 1 2 G OP2 O 8.339 -2.688 19.821 1.00 . B B . 2 G OP2 1 1
1 356 2 1 2 G P P 8.221 -4.026 20.450 1.00 . B B . 2 G P 1 1
1 357 2 1 3 C C1' C -1.442 -4.804 19.089 1.00 . B B . 3 C C1' 1 1
1 358 2 1 3 C C2 C -1.654 -2.415 18.471 1.00 . B B . 3 C C2 1 1
1 359 2 1 3 C C2' C -2.229 -5.494 17.981 1.00 . B B . 3 C C2' 1 1
1 360 2 1 3 C C3' C -1.263 -6.562 17.482 1.00 . B B . 3 C C3' 1 1
1 361 2 1 3 C C4 C 0.182 -1.130 17.811 1.00 . B B . 3 C C4 1 1
1 362 2 1 3 C C4' C -0.596 -6.950 18.801 1.00 . B B . 3 C C4' 1 1
1 363 2 1 3 C C5 C 1.053 -2.266 17.870 1.00 . B B . 3 C C5 1 1
1 364 2 1 3 C C5' C 0.768 -7.628 18.627 1.00 . B B . 3 C C5' 1 1
1 365 2 1 3 C C6 C 0.506 -3.449 18.249 1.00 . B B . 3 C C6 1 1
1 366 2 1 3 C H1' H -2.132 -4.550 19.895 1.00 . B B . 3 C H1' 1 1
1 367 2 1 3 C H2' H -2.500 -4.807 17.182 1.00 . B B . 3 C H2' 1 1
1 368 2 1 3 C H3' H -0.526 -6.126 16.804 1.00 . B B . 3 C H3' 1 1
1 369 2 1 3 C H4' H -1.262 -7.639 19.321 1.00 . B B . 3 C H4' 1 1
1 370 2 1 3 C H41 H -0.017 0.839 17.468 1.00 . B B . 3 C H41 1 1
1 371 2 1 3 C H42 H 1.619 0.208 17.282 1.00 . B B . 3 C H42 1 1
1 372 2 1 3 C H5 H 2.103 -2.217 17.625 1.00 . B B . 3 C H5 1 1
1 373 2 1 3 C H5' H 1.085 -8.032 19.587 1.00 . B B . 3 C H5' 1 1
1 374 2 1 3 C H5'' H 0.677 -8.449 17.914 1.00 . B B . 3 C H5'' 1 1
1 375 2 1 3 C H6 H 1.135 -4.325 18.291 1.00 . B B . 3 C H6 1 1
1 376 2 1 3 C HO2' H -3.611 -6.838 18.005 1.00 . B B . 3 C HO2' 1 1
1 377 2 1 3 C N1 N -0.826 -3.539 18.588 1.00 . B B . 3 C N1 1 1
1 378 2 1 3 C N3 N -1.117 -1.228 18.087 1.00 . B B . 3 C N3 1 1
1 379 2 1 3 C N4 N 0.644 0.068 17.484 1.00 . B B . 3 C N4 1 1
1 380 2 1 3 C O2 O -2.858 -2.476 18.712 1.00 . B B . 3 C O2 1 1
1 381 2 1 3 C O2' O -3.387 -6.078 18.552 1.00 . B B . 3 C O2' 1 1
1 382 2 1 3 C O3' O -1.974 -7.633 16.879 1.00 . B B . 3 C O3' 1 1
1 383 2 1 3 C O4' O -0.499 -5.755 19.572 1.00 . B B . 3 C O4' 1 1
1 384 2 1 3 C O5' O 1.730 -6.700 18.163 1.00 . B B . 3 C O5' 1 1
1 385 2 1 3 C OP1 O 3.417 -8.484 17.653 1.00 . B B . 3 C OP1 1 1
1 386 2 1 3 C OP2 O 3.964 -6.010 17.279 1.00 . B B . 3 C OP2 1 1
1 387 2 1 3 C P P 3.295 -7.069 18.064 1.00 . B B . 3 C P 1 1
1 388 2 1 4 A C1' C -3.992 -2.525 15.111 1.00 . B B . 4 A C1' 1 1
1 389 2 1 4 A C2 C -1.571 1.075 14.450 1.00 . B B . 4 A C2 1 1
1 390 2 1 4 A C2' C -4.760 -2.674 13.794 1.00 . B B . 4 A C2' 1 1
1 391 2 1 4 A C3' C -4.762 -4.193 13.607 1.00 . B B . 4 A C3' 1 1
1 392 2 1 4 A C4 C -1.907 -1.121 14.681 1.00 . B B . 4 A C4 1 1
1 393 2 1 4 A C4' C -4.929 -4.652 15.055 1.00 . B B . 4 A C4' 1 1
1 394 2 1 4 A C5 C -0.571 -1.402 14.526 1.00 . B B . 4 A C5 1 1
1 395 2 1 4 A C5' C -4.478 -6.099 15.299 1.00 . B B . 4 A C5' 1 1
1 396 2 1 4 A C6 C 0.273 -0.285 14.327 1.00 . B B . 4 A C6 1 1
1 397 2 1 4 A C8 C -1.534 -3.268 14.811 1.00 . B B . 4 A C8 1 1
1 398 2 1 4 A H1' H -4.373 -1.663 15.660 1.00 . B B . 4 A H1' 1 1
1 399 2 1 4 A H2 H -1.941 2.087 14.417 1.00 . B B . 4 A H2 1 1
1 400 2 1 4 A H2' H -4.258 -2.169 12.967 1.00 . B B . 4 A H2' 1 1
1 401 2 1 4 A H3' H -3.793 -4.514 13.223 1.00 . B B . 4 A H3' 1 1
1 402 2 1 4 A H4' H -5.988 -4.578 15.304 1.00 . B B . 4 A H4' 1 1
1 403 2 1 4 A H5' H -4.695 -6.367 16.331 1.00 . B B . 4 A H5' 1 1
1 404 2 1 4 A H5'' H -5.043 -6.762 14.642 1.00 . B B . 4 A H5'' 1 1
1 405 2 1 4 A H61 H 2.112 0.484 14.045 1.00 . B B . 4 A H61 1 1
1 406 2 1 4 A H62 H 2.040 -1.273 14.221 1.00 . B B . 4 A H62 1 1
1 407 2 1 4 A H8 H -1.703 -4.326 14.921 1.00 . B B . 4 A H8 1 1
1 408 2 1 4 A HO2' H -6.595 -2.409 13.199 1.00 . B B . 4 A HO2' 1 1
1 409 2 1 4 A N1 N -0.256 0.948 14.290 1.00 . B B . 4 A N1 1 1
1 410 2 1 4 A N3 N -2.479 0.117 14.651 1.00 . B B . 4 A N3 1 1
1 411 2 1 4 A N6 N 1.596 -0.369 14.192 1.00 . B B . 4 A N6 1 1
1 412 2 1 4 A N7 N -0.344 -2.773 14.613 1.00 . B B . 4 A N7 1 1
1 413 2 1 4 A N9 N -2.537 -2.330 14.882 1.00 . B B . 4 A N9 1 1
1 414 2 1 4 A O2' O -6.070 -2.159 13.971 1.00 . B B . 4 A O2' 1 1
1 415 2 1 4 A O3' O -5.812 -4.690 12.791 1.00 . B B . 4 A O3' 1 1
1 416 2 1 4 A O4' O -4.230 -3.710 15.862 1.00 . B B . 4 A O4' 1 1
1 417 2 1 4 A O5' O -3.095 -6.254 15.042 1.00 . B B . 4 A O5' 1 1
1 418 2 1 4 A OP1 O -3.252 -8.761 15.054 1.00 . B B . 4 A OP1 1 1
1 419 2 1 4 A OP2 O -1.033 -7.584 14.566 1.00 . B B . 4 A OP2 1 1
1 420 2 1 4 A P P -2.314 -7.645 15.300 1.00 . B B . 4 A P 1 1
1 421 2 1 5 A C1' C -8.684 0.177 11.987 1.00 . B B . 5 A C1' 1 1
1 422 2 1 5 A C2 C -7.614 4.290 11.040 1.00 . B B . 5 A C2 1 1
1 423 2 1 5 A C2' C -9.602 0.056 10.778 1.00 . B B . 5 A C2' 1 1
1 424 2 1 5 A C3' C -9.355 -1.372 10.302 1.00 . B B . 5 A C3' 1 1
1 425 2 1 5 A C4 C -7.196 2.118 11.320 1.00 . B B . 5 A C4 1 1
1 426 2 1 5 A C4' C -9.163 -2.068 11.652 1.00 . B B . 5 A C4' 1 1
1 427 2 1 5 A C5 C -5.849 2.283 11.122 1.00 . B B . 5 A C5 1 1
1 428 2 1 5 A C5' C -8.366 -3.372 11.577 1.00 . B B . 5 A C5' 1 1
1 429 2 1 5 A C6 C -5.424 3.612 10.888 1.00 . B B . 5 A C6 1 1
1 430 2 1 5 A C8 C -6.146 0.209 11.472 1.00 . B B . 5 A C8 1 1
1 431 2 1 5 A H1' H -9.152 0.824 12.730 1.00 . B B . 5 A H1' 1 1
1 432 2 1 5 A H2 H -8.310 5.114 11.001 1.00 . B B . 5 A H2 1 1
1 433 2 1 5 A H2' H -9.347 0.774 10.006 1.00 . B B . 5 A H2' 1 1
1 434 2 1 5 A H3' H -8.435 -1.432 9.717 1.00 . B B . 5 A H3' 1 1
1 435 2 1 5 A H4' H -10.152 -2.288 12.055 1.00 . B B . 5 A H4' 1 1
1 436 2 1 5 A H5' H -8.427 -3.874 12.543 1.00 . B B . 5 A H5' 1 1
1 437 2 1 5 A H5'' H -8.805 -4.019 10.815 1.00 . B B . 5 A H5'' 1 1
1 438 2 1 5 A H61 H -3.920 4.947 10.678 1.00 . B B . 5 A H61 1 1
1 439 2 1 5 A H62 H -3.426 3.258 10.799 1.00 . B B . 5 A H62 1 1
1 440 2 1 5 A H8 H -5.964 -0.847 11.603 1.00 . B B . 5 A H8 1 1
1 441 2 1 5 A HO2' H -11.491 -0.279 10.586 1.00 . B B . 5 A HO2' 1 1
1 442 2 1 5 A N1 N -6.335 4.600 10.845 1.00 . B B . 5 A N1 1 1
1 443 2 1 5 A N3 N -8.145 3.095 11.291 1.00 . B B . 5 A N3 1 1
1 444 2 1 5 A N6 N -4.151 3.966 10.740 1.00 . B B . 5 A N6 1 1
1 445 2 1 5 A N7 N -5.191 1.060 11.217 1.00 . B B . 5 A N7 1 1
1 446 2 1 5 A N9 N -7.389 0.783 11.591 1.00 . B B . 5 A N9 1 1
1 447 2 1 5 A O2' O -10.946 0.235 11.192 1.00 . B B . 5 A O2' 1 1
1 448 2 1 5 A O3' O -10.484 -1.838 9.578 1.00 . B B . 5 A O3' 1 1
1 449 2 1 5 A O4' O -8.529 -1.133 12.517 1.00 . B B . 5 A O4' 1 1
1 450 2 1 5 A O5' O -7.006 -3.125 11.269 1.00 . B B . 5 A O5' 1 1
1 451 2 1 5 A OP1 O -6.551 -5.484 10.533 1.00 . B B . 5 A OP1 1 1
1 452 2 1 5 A OP2 O -4.642 -3.785 10.759 1.00 . B B . 5 A OP2 1 1
1 453 2 1 5 A P P -5.935 -4.330 11.223 1.00 . B B . 5 A P 1 1
1 454 2 1 6 G C1' C -7.994 2.920 7.675 1.00 . B B . 6 G C1' 1 1
1 455 2 1 6 G C2 C -3.686 3.583 7.423 1.00 . B B . 6 G C2 1 1
1 456 2 1 6 G C2' C -8.393 3.236 6.238 1.00 . B B . 6 G C2' 1 1
1 457 2 1 6 G C3' C -9.513 2.231 5.972 1.00 . B B . 6 G C3' 1 1
1 458 2 1 6 G C4 C -5.532 2.303 7.639 1.00 . B B . 6 G C4 1 1
1 459 2 1 6 G C4' C -10.180 2.179 7.349 1.00 . B B . 6 G C4' 1 1
1 460 2 1 6 G C5 C -4.816 1.132 7.765 1.00 . B B . 6 G C5 1 1
1 461 2 1 6 G C5' C -10.952 0.880 7.625 1.00 . B B . 6 G C5' 1 1
1 462 2 1 6 G C6 C -3.382 1.179 7.732 1.00 . B B . 6 G C6 1 1
1 463 2 1 6 G C8 C -6.869 0.595 7.862 1.00 . B B . 6 G C8 1 1
1 464 2 1 6 G H1 H -1.889 2.558 7.481 1.00 . B B . 6 G H1 1 1
1 465 2 1 6 G H1' H -7.683 3.841 8.170 1.00 . B B . 6 G H1' 1 1
1 466 2 1 6 G H2' H -7.563 3.110 5.545 1.00 . B B . 6 G H2' 1 1
1 467 2 1 6 G H21 H -2.061 4.758 7.081 1.00 . B B . 6 G H21 1 1
1 468 2 1 6 G H22 H -3.629 5.567 7.112 1.00 . B B . 6 G H22 1 1
1 469 2 1 6 G H3' H -9.092 1.254 5.727 1.00 . B B . 6 G H3' 1 1
1 470 2 1 6 G H4' H -10.877 3.015 7.412 1.00 . B B . 6 G H4' 1 1
1 471 2 1 6 G H5' H -11.433 0.955 8.600 1.00 . B B . 6 G H5' 1 1
1 472 2 1 6 G H5'' H -11.721 0.752 6.862 1.00 . B B . 6 G H5'' 1 1
1 473 2 1 6 G H8 H -7.770 0.012 7.945 1.00 . B B . 6 G H8 1 1
1 474 2 1 6 G HO2' H -9.483 4.615 5.450 1.00 . B B . 6 G HO2' 1 1
1 475 2 1 6 G N1 N -2.893 2.467 7.552 1.00 . B B . 6 G N1 1 1
1 476 2 1 6 G N2 N -3.069 4.738 7.217 1.00 . B B . 6 G N2 1 1
1 477 2 1 6 G N3 N -5.026 3.558 7.463 1.00 . B B . 6 G N3 1 1
1 478 2 1 6 G N7 N -5.685 0.052 7.893 1.00 . B B . 6 G N7 1 1
1 479 2 1 6 G N9 N -6.861 1.962 7.729 1.00 . B B . 6 G N9 1 1
1 480 2 1 6 G O2' O -8.878 4.565 6.196 1.00 . B B . 6 G O2' 1 1
1 481 2 1 6 G O3' O -10.405 2.689 4.966 1.00 . B B . 6 G O3' 1 1
1 482 2 1 6 G O4' O -9.154 2.400 8.310 1.00 . B B . 6 G O4' 1 1
1 483 2 1 6 G O5' O -10.082 -0.237 7.608 1.00 . B B . 6 G O5' 1 1
1 484 2 1 6 G O6 O -2.576 0.256 7.826 1.00 . B B . 6 G O6 1 1
1 485 2 1 6 G OP1 O -11.995 -1.866 7.591 1.00 . B B . 6 G OP1 1 1
1 486 2 1 6 G OP2 O -9.574 -2.674 7.411 1.00 . B B . 6 G OP2 1 1
1 487 2 1 6 G P P -10.570 -1.736 7.967 1.00 . B B . 6 G P 1 1
1 488 2 1 7 C C1' C -5.199 4.695 3.430 1.00 . B B . 7 C C1' 1 1
1 489 2 1 7 C C2 C -3.348 3.126 3.997 1.00 . B B . 7 C C2 1 1
1 490 2 1 7 C C2' C -5.161 4.889 1.914 1.00 . B B . 7 C C2' 1 1
1 491 2 1 7 C C3' C -6.586 4.514 1.512 1.00 . B B . 7 C C3' 1 1
1 492 2 1 7 C C4 C -3.741 0.846 4.363 1.00 . B B . 7 C C4 1 1
1 493 2 1 7 C C4' C -7.351 5.139 2.678 1.00 . B B . 7 C C4' 1 1
1 494 2 1 7 C C5 C -5.138 1.006 4.087 1.00 . B B . 7 C C5 1 1
1 495 2 1 7 C C5' C -8.784 4.611 2.830 1.00 . B B . 7 C C5' 1 1
1 496 2 1 7 C C6 C -5.578 2.253 3.809 1.00 . B B . 7 C C6 1 1
1 497 2 1 7 C H1' H -4.551 5.437 3.900 1.00 . B B . 7 C H1' 1 1
1 498 2 1 7 C H2' H -4.426 4.244 1.441 1.00 . B B . 7 C H2' 1 1
1 499 2 1 7 C H3' H -6.704 3.424 1.533 1.00 . B B . 7 C H3' 1 1
1 500 2 1 7 C H4' H -7.404 6.214 2.506 1.00 . B B . 7 C H4' 1 1
1 501 2 1 7 C H41 H -2.257 -0.433 4.857 1.00 . B B . 7 C H41 1 1
1 502 2 1 7 C H42 H -3.872 -1.126 4.816 1.00 . B B . 7 C H42 1 1
1 503 2 1 7 C H5 H -5.856 0.203 4.080 1.00 . B B . 7 C H5 1 1
1 504 2 1 7 C H5' H -9.273 5.142 3.645 1.00 . B B . 7 C H5' 1 1
1 505 2 1 7 C H5'' H -9.333 4.806 1.908 1.00 . B B . 7 C H5'' 1 1
1 506 2 1 7 C H6 H -6.624 2.391 3.596 1.00 . B B . 7 C H6 1 1
1 507 2 1 7 C HO2' H -5.161 6.409 0.726 1.00 . B B . 7 C HO2' 1 1
1 508 2 1 7 C N1 N -4.720 3.327 3.789 1.00 . B B . 7 C N1 1 1
1 509 2 1 7 C N3 N -2.894 1.876 4.294 1.00 . B B . 7 C N3 1 1
1 510 2 1 7 C N4 N -3.253 -0.343 4.686 1.00 . B B . 7 C N4 1 1
1 511 2 1 7 C O2 O -2.546 4.052 3.903 1.00 . B B . 7 C O2 1 1
1 512 2 1 7 C O2' O -4.873 6.245 1.629 1.00 . B B . 7 C O2' 1 1
1 513 2 1 7 C O3' O -6.969 5.077 0.265 1.00 . B B . 7 C O3' 1 1
1 514 2 1 7 C O4' O -6.548 4.920 3.835 1.00 . B B . 7 C O4' 1 1
1 515 2 1 7 C O5' O -8.788 3.221 3.090 1.00 . B B . 7 C O5' 1 1
1 516 2 1 7 C OP1 O -11.248 3.026 2.637 1.00 . B B . 7 C OP1 1 1
1 517 2 1 7 C OP2 O -9.851 0.965 3.238 1.00 . B B . 7 C OP2 1 1
1 518 2 1 7 C P P -10.143 2.405 3.399 1.00 . B B . 7 C P 1 1
1 519 2 1 8 C C1' C -1.426 4.157 -0.443 1.00 . B B . 8 C C1' 1 1
1 520 2 1 8 C C2 C -0.603 1.993 0.442 1.00 . B B . 8 C C2 1 1
1 521 2 1 8 C C2' C -1.053 4.088 -1.922 1.00 . B B . 8 C C2' 1 1
1 522 2 1 8 C C3' C -2.373 4.409 -2.617 1.00 . B B . 8 C C3' 1 1
1 523 2 1 8 C C4 C -2.056 0.321 1.191 1.00 . B B . 8 C C4 1 1
1 524 2 1 8 C C4' C -2.942 5.447 -1.648 1.00 . B B . 8 C C4' 1 1
1 525 2 1 8 C C5 C -3.203 1.082 0.799 1.00 . B B . 8 C C5 1 1
1 526 2 1 8 C C5' C -4.463 5.611 -1.744 1.00 . B B . 8 C C5' 1 1
1 527 2 1 8 C C6 C -2.978 2.300 0.249 1.00 . B B . 8 C C6 1 1
1 528 2 1 8 C H1' H -0.585 4.584 0.107 1.00 . B B . 8 C H1' 1 1
1 529 2 1 8 C H2' H -0.677 3.106 -2.208 1.00 . B B . 8 C H2' 1 1
1 530 2 1 8 C H3' H -3.016 3.527 -2.637 1.00 . B B . 8 C H3' 1 1
1 531 2 1 8 C H4' H -2.473 6.406 -1.868 1.00 . B B . 8 C H4' 1 1
1 532 2 1 8 C H41 H -1.349 -1.399 1.954 1.00 . B B . 8 C H41 1 1
1 533 2 1 8 C H42 H -3.106 -1.278 1.867 1.00 . B B . 8 C H42 1 1
1 534 2 1 8 C H5 H -4.215 0.723 0.912 1.00 . B B . 8 C H5 1 1
1 535 2 1 8 C H5' H -4.771 6.442 -1.110 1.00 . B B . 8 C H5' 1 1
1 536 2 1 8 C H5'' H -4.741 5.831 -2.776 1.00 . B B . 8 C H5'' 1 1
1 537 2 1 8 C H6 H -3.825 2.883 -0.071 1.00 . B B . 8 C H6 1 1
1 538 2 1 8 C HO2' H -0.234 5.382 -3.093 1.00 . B B . 8 C HO2' 1 1
1 539 2 1 8 C N1 N -1.701 2.794 0.102 1.00 . B B . 8 C N1 1 1
1 540 2 1 8 C N3 N -0.817 0.768 0.989 1.00 . B B . 8 C N3 1 1
1 541 2 1 8 C N4 N -2.192 -0.884 1.721 1.00 . B B . 8 C N4 1 1
1 542 2 1 8 C O2 O 0.552 2.367 0.243 1.00 . B B . 8 C O2 1 1
1 543 2 1 8 C O2' O -0.083 5.085 -2.190 1.00 . B B . 8 C O2' 1 1
1 544 2 1 8 C O3' O -2.145 4.925 -3.920 1.00 . B B . 8 C O3' 1 1
1 545 2 1 8 C O4' O -2.538 5.042 -0.343 1.00 . B B . 8 C O4' 1 1
1 546 2 1 8 C O5' O -5.105 4.425 -1.321 1.00 . B B . 8 C O5' 1 1
1 547 2 1 8 C OP1 O -7.341 5.120 -2.209 1.00 . B B . 8 C OP1 1 1
1 548 2 1 8 C OP2 O -7.043 2.897 -0.972 1.00 . B B . 8 C OP2 1 1
1 549 2 1 8 C P P -6.701 4.325 -1.139 1.00 . B B . 8 C P 1 1
1 550 2 1 9 U C1' C 1.231 0.170 -3.164 1.00 . B B . 9 U C1' 1 1
1 551 2 1 9 U C2 C 0.118 -1.663 -1.929 1.00 . B B . 9 U C2 1 1
1 552 2 1 9 U C2' C 1.481 -0.397 -4.566 1.00 . B B . 9 U C2' 1 1
1 553 2 1 9 U C3' C 0.893 0.690 -5.457 1.00 . B B . 9 U C3' 1 1
1 554 2 1 9 U C4 C -2.309 -1.666 -1.493 1.00 . B B . 9 U C4 1 1
1 555 2 1 9 U C4' C 1.271 1.943 -4.664 1.00 . B B . 9 U C4' 1 1
1 556 2 1 9 U C5 C -2.360 -0.399 -2.196 1.00 . B B . 9 U C5 1 1
1 557 2 1 9 U C5' C 0.429 3.170 -5.032 1.00 . B B . 9 U C5' 1 1
1 558 2 1 9 U C6 C -1.238 0.178 -2.698 1.00 . B B . 9 U C6 1 1
1 559 2 1 9 U H1' H 2.083 -0.080 -2.529 1.00 . B B . 9 U H1' 1 1
1 560 2 1 9 U H2' H 0.978 -1.353 -4.722 1.00 . B B . 9 U H2' 1 1
1 561 2 1 9 U H3 H -0.950 -3.071 -0.881 1.00 . B B . 9 U H3 1 1
1 562 2 1 9 U H3' H -0.191 0.574 -5.491 1.00 . B B . 9 U H3' 1 1
1 563 2 1 9 U H4' H 2.321 2.170 -4.857 1.00 . B B . 9 U H4' 1 1
1 564 2 1 9 U H5 H -3.316 0.090 -2.314 1.00 . B B . 9 U H5 1 1
1 565 2 1 9 U H5' H 0.717 4.008 -4.399 1.00 . B B . 9 U H5' 1 1
1 566 2 1 9 U H5'' H 0.623 3.435 -6.072 1.00 . B B . 9 U H5'' 1 1
1 567 2 1 9 U H6 H -1.328 1.121 -3.214 1.00 . B B . 9 U H6 1 1
1 568 2 1 9 U HO2' H 3.020 -0.481 -5.728 1.00 . B B . 9 U HO2' 1 1
1 569 2 1 9 U HO3' H 0.961 1.311 -7.301 1.00 . B B . 9 U HO3' 1 1
1 570 2 1 9 U N1 N -0.002 -0.420 -2.563 1.00 . B B . 9 U N1 1 1
1 571 2 1 9 U N3 N -1.039 -2.207 -1.390 1.00 . B B . 9 U N3 1 1
1 572 2 1 9 U O2 O 1.179 -2.280 -1.854 1.00 . B B . 9 U O2 1 1
1 573 2 1 9 U O2' O 2.875 -0.537 -4.778 1.00 . B B . 9 U O2' 1 1
1 574 2 1 9 U O3' O 1.432 0.664 -6.768 1.00 . B B . 9 U O3' 1 1
1 575 2 1 9 U O4 O -3.271 -2.256 -1.014 1.00 . B B . 9 U O4 1 1
1 576 2 1 9 U O4' O 1.147 1.588 -3.292 1.00 . B B . 9 U O4' 1 1
1 577 2 1 9 U O5' O -0.948 2.887 -4.871 1.00 . B B . 9 U O5' 1 1
1 578 2 1 9 U OP1 O -1.646 4.767 -6.369 1.00 . B B . 9 U OP1 1 1
1 579 2 1 9 U OP2 O -3.380 3.229 -5.285 1.00 . B B . 9 U OP2 1 1
1 580 2 1 9 U P P -2.099 3.962 -5.214 1.00 . B B . 9 U P 1 1
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