NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
482380 |
1ntq   |
5775 | cing | 4-filtered-FRED | STAR | entry | full | 261 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1ntq
# This FRED archive file contains, for PDB entry <1ntq>:
#
# - 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.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_1ntq
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1ntq
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 4916.04
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__AP_AP_AP_GP_GP_AP_GP_GP_A__3_ A . 1 1
2 . 2 $5__D__CP_CP_UP_CP_CP_UP_U__3_ B . 1 1
stop_
save_
save_5__R__AP_AP_AP_GP_GP_AP_GP_GP_A__3_
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "5 R AP AP AP GP GP AP GP GP A 3 "
_Entity.Type polymer
_Entity.Polymer_type polyribonucleotide
_Entity.Polymer_seq_one_letter_code AAAGGAGGA
_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 A . 1 1
2 A . 1 1
3 A . 1 1
4 G . 1 1
5 G . 1 1
6 A . 1 1
7 G . 1 1
8 G . 1 1
9 A . 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
A 1 1 1 1
A 2 2 1 1
A 3 3 1 1
G 4 4 1 1
G 5 5 1 1
A 6 6 1 1
G 7 7 1 1
G 8 8 1 1
A 9 9 1 1
stop_
save_
save_5__D__CP_CP_UP_CP_CP_UP_U__3_
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "5 D CP CP UP CP CP UP U 3 "
_Entity.Type polymer
_Entity.Polymer_type polydeoxyribonucleotide
_Entity.Polymer_seq_one_letter_code CCXCCXX
_Entity.Number_of_monomers 7
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 DC . 1 2
2 DC . 1 2
3 DU $DU 1 2
4 DC . 1 2
5 DC . 1 2
6 DU $DU 1 2
7 DU $DU 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
DC 1 1 1 2
DC 2 2 1 2
DU 3 3 1 2
DC 4 4 1 2
DC 5 5 1 2
DU 6 6 1 2
DU 7 7 1 2
stop_
save_
save_DU
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID DU
_Chem_comp.Type non-polymer
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
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
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 2 2 1 DC H5 B 1 C5' H5 1 1
1 1 2 2 2 1 DC H6 B 1 C5' H6 1 1
2 1 1 2 2 1 DC H1' B 1 C5' H1' 1 1
2 1 2 2 2 1 DC H6 B 1 C5' H6 1 1
3 1 1 2 2 1 DC H3' B 1 C5' H3' 1 1
3 1 2 2 2 1 DC H6 B 1 C5' H6 1 1
4 1 1 2 2 1 DC H2' B 1 C5' H2'1 1 1
4 1 2 2 2 1 DC H3' B 1 C5' H3' 1 1
5 1 1 2 2 1 DC H1' B 1 C5' H1' 1 1
5 1 2 2 2 1 DC H4' B 1 C5' H4' 1 1
6 1 1 1 1 1 A H2 1 2 A H2 1 1
6 1 2 1 1 2 A H1' 1 3 A H1' 1 1
7 1 1 2 2 1 DC H2' B 1 C5' H2'1 1 1
7 1 2 2 2 2 DC H6 B 2 C H6 1 1
8 1 1 2 2 1 DC H3' B 1 C5' H3' 1 1
8 1 2 2 2 2 DC H6 B 2 C H6 1 1
9 1 1 2 2 2 DC H5 B 2 C H5 1 1
9 1 2 2 2 2 DC H6 B 2 C H6 1 1
10 1 1 2 2 2 DC H1' B 2 C H1' 1 1
10 1 2 2 2 2 DC H6 B 2 C H6 1 1
11 1 1 2 2 2 DC H4' B 2 C H4' 1 1
11 1 2 2 2 2 DC H6 B 2 C H6 1 1
12 1 1 1 1 1 A H1' 1 2 A H1' 1 1
12 1 2 1 1 1 A H8 1 2 A H8 1 1
13 1 1 2 2 2 DC H1' B 2 C H1' 1 1
13 1 2 2 2 2 DC H2' B 2 C H2'1 1 1
14 1 1 1 1 1 A H1' 1 2 A H1' 1 1
14 1 2 1 1 1 A H2' 1 2 A H2' 1 1
15 1 1 2 2 2 DC H1' B 2 C H1' 1 1
15 1 2 2 2 2 DC H4' B 2 C H4' 1 1
16 1 1 1 1 1 A H1' 1 2 A H1' 1 1
16 1 2 1 1 1 A H4' 1 2 A H4' 1 1
17 1 1 2 2 2 DC H3' B 2 C H3' 1 1
17 1 2 2 2 2 DC H6 B 2 C H6 1 1
18 1 1 2 2 2 DC H2' B 2 C H2'1 1 1
18 1 2 2 2 2 DC H3' B 2 C H3' 1 1
19 1 1 2 2 2 DC H3' B 2 C H3' 1 1
19 1 2 2 2 3 DU H5 B 3 U H5 1 1
20 1 1 2 2 2 DC H2' B 2 C H2'1 1 1
20 1 2 2 2 3 DU H5 B 3 U H5 1 1
21 1 1 2 2 2 DC H1' B 2 C H1' 1 1
21 1 2 2 2 3 DU H6 B 3 U H6 1 1
22 1 1 2 2 2 DC H2'' B 2 C H2'2 1 1
22 1 2 2 2 3 DU H6 B 3 U H6 1 1
23 1 1 2 2 2 DC H3' B 2 C H3' 1 1
23 1 2 2 2 3 DU H6 B 3 U H6 1 1
24 1 1 2 2 3 DU H5 B 3 U H5 1 1
24 1 2 2 2 3 DU H6 B 3 U H6 1 1
25 1 1 2 2 2 DC H2' B 2 C H2'1 1 1
25 1 2 2 2 3 DU H6 B 3 U H6 1 1
26 1 1 2 2 3 DU H3' B 3 U H3' 1 1
26 1 2 2 2 3 DU H6 B 3 U H6 1 1
27 1 1 1 1 1 A H2' 1 2 A H2' 1 1
27 1 2 1 1 2 A H8 1 3 A H8 1 1
28 1 1 1 1 2 A H1' 1 3 A H1' 1 1
28 1 2 1 1 2 A H8 1 3 A H8 1 1
29 1 1 2 2 3 DU H1' B 3 U H1' 1 1
29 1 2 2 2 3 DU H6 B 3 U H6 1 1
30 1 1 2 2 3 DU H1' B 3 U H1' 1 1
30 1 2 2 2 3 DU H2' B 3 U H2'1 1 1
31 1 1 2 2 3 DU H1' B 3 U H1' 1 1
31 1 2 2 2 3 DU H2'' B 3 U H2'2 1 1
32 1 1 2 2 3 DU H1' B 3 U H1' 1 1
32 1 2 2 2 3 DU H3' B 3 U H3' 1 1
33 1 1 2 2 3 DU H1' B 3 U H1' 1 1
33 1 2 2 2 3 DU H4' B 3 U H4' 1 1
34 1 1 2 2 3 DU H1' B 3 U H1' 1 1
34 1 2 2 2 4 DC H6 B 4 C H6 1 1
35 1 1 1 1 2 A H3' 1 3 A H3' 1 1
35 1 2 1 1 2 A H8 1 3 A H8 1 1
36 1 1 2 2 3 DU H2' B 3 U H2'1 1 1
36 1 2 2 2 3 DU H3' B 3 U H3' 1 1
37 1 1 2 2 3 DU H2' B 3 U H2'1 1 1
37 1 2 2 2 4 DC H5 B 4 C H5 1 1
38 1 1 2 2 3 DU H2' B 3 U H2'1 1 1
38 1 2 2 2 4 DC H6 B 4 C H6 1 1
39 1 1 2 2 3 DU H2'' B 3 U H2'2 1 1
39 1 2 2 2 4 DC H6 B 4 C H6 1 1
40 1 1 2 2 4 DC H5 B 4 C H5 1 1
40 1 2 2 2 4 DC H6 B 4 C H6 1 1
41 1 1 2 2 4 DC H2' B 4 C H2'1 1 1
41 1 2 2 2 4 DC H6 B 4 C H6 1 1
42 1 1 2 2 4 DC H3' B 4 C H3' 1 1
42 1 2 2 2 4 DC H6 B 4 C H6 1 1
43 1 1 2 2 4 DC H6 B 4 C H6 1 1
43 1 2 2 2 5 DC H5 B 5 C H5 1 1
44 1 1 1 1 2 A H1' 1 3 A H1' 1 1
44 1 2 1 1 3 A H8 1 4 A H8 1 1
45 1 1 1 1 3 A H1' 1 4 A H1' 1 1
45 1 2 1 1 3 A H8 1 4 A H8 1 1
46 1 1 1 1 3 A H2' 1 4 A H2' 1 1
46 1 2 1 1 3 A H8 1 4 A H8 1 1
47 1 1 1 1 3 A H3' 1 4 A H3' 1 1
47 1 2 1 1 3 A H8 1 4 A H8 1 1
48 1 1 1 1 2 A H2 1 3 A H2 1 1
48 1 2 1 1 3 A H1' 1 4 A H1' 1 1
49 1 1 2 2 4 DC H1' B 4 C H1' 1 1
49 1 2 2 2 4 DC H6 B 4 C H6 1 1
50 1 1 2 2 4 DC H1' B 4 C H1' 1 1
50 1 2 2 2 4 DC H2' B 4 C H2'1 1 1
51 1 1 1 1 3 A H1' 1 4 A H1' 1 1
51 1 2 1 1 3 A H2' 1 4 A H2' 1 1
52 1 1 2 2 4 DC H1' B 4 C H1' 1 1
52 1 2 2 2 4 DC H2'' B 4 C H2'2 1 1
53 1 1 2 2 4 DC H1' B 4 C H1' 1 1
53 1 2 2 2 4 DC H3' B 4 C H3' 1 1
54 1 1 2 2 4 DC H1' B 4 C H1' 1 1
54 1 2 2 2 4 DC H4' B 4 C H4' 1 1
55 1 1 1 1 3 A H1' 1 4 A H1' 1 1
55 1 2 1 1 3 A H4' 1 4 A H4' 1 1
56 1 1 2 2 4 DC H2' B 4 C H2'1 1 1
56 1 2 2 2 4 DC H3' B 4 C H3' 1 1
57 1 1 2 2 4 DC H1' B 4 C H1' 1 1
57 1 2 2 2 5 DC H6 B 5 C H6 1 1
58 1 1 2 2 4 DC H2'' B 4 C H2'2 1 1
58 1 2 2 2 5 DC H6 B 5 C H6 1 1
59 1 1 2 2 4 DC H2' B 4 C H2'1 1 1
59 1 2 2 2 5 DC H6 B 5 C H6 1 1
60 1 1 2 2 4 DC H3' B 4 C H3' 1 1
60 1 2 2 2 5 DC H6 B 5 C H6 1 1
61 1 1 2 2 5 DC H5 B 5 C H5 1 1
61 1 2 2 2 5 DC H6 B 5 C H6 1 1
62 1 1 2 2 5 DC H2' B 5 C H2'1 1 1
62 1 2 2 2 5 DC H6 B 5 C H6 1 1
63 1 1 2 2 5 DC H6 B 5 C H6 1 1
63 1 2 2 2 6 DU H5 B 6 U H5 1 1
64 1 1 1 1 3 A H1' 1 4 A H1' 1 1
64 1 2 1 1 4 G H8 1 5 G H8 1 1
65 1 1 1 1 3 A H2' 1 4 A H2' 1 1
65 1 2 1 1 4 G H8 1 5 G H8 1 1
66 1 1 1 1 4 G H1' 1 5 G H1' 1 1
66 1 2 1 1 4 G H8 1 5 G H8 1 1
67 1 1 1 1 4 G H2' 1 5 G H2' 1 1
67 1 2 1 1 4 G H8 1 5 G H8 1 1
68 1 1 1 1 4 G H3' 1 5 G H3' 1 1
68 1 2 1 1 4 G H8 1 5 G H8 1 1
69 1 1 1 1 3 A H2 1 4 A H2 1 1
69 1 2 1 1 4 G H1' 1 5 G H1' 1 1
70 1 1 1 1 3 A H2' 1 4 A H2' 1 1
70 1 2 1 1 4 G H1' 1 5 G H1' 1 1
71 1 1 2 2 5 DC H1' B 5 C H1' 1 1
71 1 2 2 2 5 DC H6 B 5 C H6 1 1
72 1 1 2 2 5 DC H1' B 5 C H1' 1 1
72 1 2 2 2 5 DC H2' B 5 C H2'1 1 1
73 1 1 2 2 5 DC H1' B 5 C H1' 1 1
73 1 2 2 2 5 DC H2'' B 5 C H2'2 1 1
74 1 1 1 1 4 G H1' 1 5 G H1' 1 1
74 1 2 1 1 4 G H2' 1 5 G H2' 1 1
75 1 1 1 1 4 G H1' 1 5 G H1' 1 1
75 1 2 1 1 4 G H3' 1 5 G H3' 1 1
76 1 1 2 2 5 DC H1' B 5 C H1' 1 1
76 1 2 2 2 5 DC H3' B 5 C H3' 1 1
77 1 1 2 2 5 DC H1' B 5 C H1' 1 1
77 1 2 2 2 5 DC H4' B 5 C H4' 1 1
78 1 1 2 2 5 DC H1' B 5 C H1' 1 1
78 1 2 2 2 6 DU H6 B 6 U H6 1 1
79 1 1 1 1 4 G H1' 1 5 G H1' 1 1
79 1 2 1 1 5 G H8 1 6 G H8 1 1
80 1 1 2 2 5 DC H3' B 5 C H3' 1 1
80 1 2 2 2 5 DC H6 B 5 C H6 1 1
81 1 1 2 2 5 DC H2' B 5 C H2'1 1 1
81 1 2 2 2 5 DC H3' B 5 C H3' 1 1
82 1 1 2 2 5 DC H2'' B 5 C H2'2 1 1
82 1 2 2 2 6 DU H6 B 6 U H6 1 1
83 1 1 2 2 6 DU H5 B 6 U H5 1 1
83 1 2 2 2 6 DU H6 B 6 U H6 1 1
84 1 1 2 2 6 DU H1' B 6 U H1' 1 1
84 1 2 2 2 6 DU H6 B 6 U H6 1 1
85 1 1 2 2 6 DU H2' B 6 U H2'1 1 1
85 1 2 2 2 6 DU H6 B 6 U H6 1 1
86 1 1 2 2 6 DU H3' B 6 U H3' 1 1
86 1 2 2 2 6 DU H6 B 6 U H6 1 1
87 1 1 1 1 4 G H2' 1 5 G H2' 1 1
87 1 2 1 1 5 G H8 1 6 G H8 1 1
88 1 1 1 1 5 G H1' 1 6 G H1' 1 1
88 1 2 1 1 5 G H8 1 6 G H8 1 1
89 1 1 2 2 6 DU H1' B 6 U H1' 1 1
89 1 2 2 2 6 DU H2'' B 6 U H2'2 1 1
90 1 1 2 2 6 DU H1' B 6 U H1' 1 1
90 1 2 2 2 6 DU H2' B 6 U H2'1 1 1
91 1 1 2 2 6 DU H1' B 6 U H1' 1 1
91 1 2 2 2 6 DU H3' B 6 U H3' 1 1
92 1 1 2 2 6 DU H1' B 6 U H1' 1 1
92 1 2 2 2 6 DU H4' B 6 U H4' 1 1
93 1 1 2 2 6 DU H1' B 6 U H1' 1 1
93 1 2 2 2 7 DU H6 B 7 U3' H6 1 1
94 1 1 1 1 5 G H1' 1 6 G H1' 1 1
94 1 2 1 1 5 G H2' 1 6 G H2' 1 1
95 1 1 1 1 5 G H3' 1 6 G H3' 1 1
95 1 2 1 1 5 G H8 1 6 G H8 1 1
96 1 1 2 2 6 DU H2'' B 6 U H2'2 1 1
96 1 2 2 2 6 DU H3' B 6 U H3' 1 1
97 1 1 2 2 6 DU H2' B 6 U H2'1 1 1
97 1 2 2 2 6 DU H3' B 6 U H3' 1 1
98 1 1 1 1 6 A H2 1 7 A H2 1 1
98 1 2 2 2 4 DC H1' B 4 C H1' 1 1
99 1 1 1 1 6 A H1' 1 7 A H1' 1 1
99 1 2 1 1 6 A H2 1 7 A H2 1 1
100 1 1 1 1 6 A H2 1 7 A H2 1 1
100 1 2 1 1 7 G H1' 1 8 G H1' 1 1
101 1 1 2 2 6 DU H2'' B 6 U H2'2 1 1
101 1 2 2 2 7 DU H6 B 7 U3' H6 1 1
102 1 1 2 2 6 DU H2' B 6 U H2'1 1 1
102 1 2 2 2 7 DU H6 B 7 U3' H6 1 1
103 1 1 2 2 7 DU H5 B 7 U3' H5 1 1
103 1 2 2 2 7 DU H6 B 7 U3' H6 1 1
104 1 1 2 2 7 DU H2' B 7 U3' H2'1 1 1
104 1 2 2 2 7 DU H6 B 7 U3' H6 1 1
105 1 1 1 1 5 G H1' 1 6 G H1' 1 1
105 1 2 1 1 6 A H8 1 7 A H8 1 1
106 1 1 1 1 5 G H3' 1 6 G H3' 1 1
106 1 2 1 1 6 A H8 1 7 A H8 1 1
107 1 1 1 1 6 A H1' 1 7 A H1' 1 1
107 1 2 1 1 6 A H8 1 7 A H8 1 1
108 1 1 1 1 5 G H2' 1 6 G H2' 1 1
108 1 2 1 1 6 A H8 1 7 A H8 1 1
109 1 1 2 2 7 DU H1' B 7 U3' H1' 1 1
109 1 2 2 2 7 DU H6 B 7 U3' H6 1 1
110 1 1 2 2 7 DU H1' B 7 U3' H1' 1 1
110 1 2 2 2 7 DU H2' B 7 U3' H2'1 1 1
111 1 1 2 2 7 DU H1' B 7 U3' H1' 1 1
111 1 2 2 2 7 DU H3' B 7 U3' H3' 1 1
112 1 1 2 2 7 DU H1' B 7 U3' H1' 1 1
112 1 2 2 2 7 DU H4' B 7 U3' H4' 1 1
113 1 1 1 1 6 A H1' 1 7 A H1' 1 1
113 1 2 1 1 7 G H8 1 8 G H8 1 1
114 1 1 1 1 6 A H2' 1 7 A H2' 1 1
114 1 2 1 1 6 A H8 1 7 A H8 1 1
115 1 1 1 1 6 A H1' 1 7 A H1' 1 1
115 1 2 1 1 6 A H2' 1 7 A H2' 1 1
116 1 1 1 1 6 A H2' 1 7 A H2' 1 1
116 1 2 1 1 7 G H8 1 8 G H8 1 1
117 1 1 1 1 6 A H3' 1 7 A H3' 1 1
117 1 2 1 1 6 A H8 1 7 A H8 1 1
118 1 1 1 1 6 A H3' 1 7 A H3' 1 1
118 1 2 1 1 7 G H8 1 8 G H8 1 1
119 1 1 2 2 7 DU H2' B 7 U3' H2'1 1 1
119 1 2 2 2 7 DU H4' B 7 U3' H4' 1 1
120 1 1 1 1 7 G H1' 1 8 G H1' 1 1
120 1 2 1 1 7 G H8 1 8 G H8 1 1
121 1 1 1 1 7 G H1' 1 8 G H1' 1 1
121 1 2 1 1 8 G H8 1 9 G H8 1 1
122 1 1 1 1 7 G H2' 1 8 G H2' 1 1
122 1 2 1 1 7 G H8 1 8 G H8 1 1
123 1 1 1 1 7 G H1' 1 8 G H1' 1 1
123 1 2 1 1 7 G H2' 1 8 G H2' 1 1
124 1 1 1 1 7 G H3' 1 8 G H3' 1 1
124 1 2 1 1 7 G H8 1 8 G H8 1 1
125 1 1 1 1 7 G H2' 1 8 G H2' 1 1
125 1 2 1 1 8 G H8 1 9 G H8 1 1
126 1 1 1 1 8 G H1' 1 9 G H1' 1 1
126 1 2 1 1 8 G H8 1 9 G H8 1 1
127 1 1 1 1 8 G H1' 1 9 G H1' 1 1
127 1 2 1 1 8 G H4' 1 9 G H4' 1 1
128 1 1 1 1 8 G H1' 1 9 G H1' 1 1
128 1 2 1 1 8 G H2' 1 9 G H2' 1 1
129 1 1 1 1 8 G H3' 1 9 G H3' 1 1
129 1 2 1 1 8 G H8 1 9 G H8 1 1
130 1 1 1 1 8 G H2' 1 9 G H2' 1 1
130 1 2 1 1 9 A H8 1 10 A H8 1 1
131 1 1 1 1 9 A H1' 1 10 A H1' 1 1
131 1 2 1 1 9 A H8 1 10 A H8 1 1
132 1 1 1 1 9 A H3' 1 10 A H3' 1 1
132 1 2 1 1 9 A H8 1 10 A H8 1 1
133 1 1 1 1 8 G H2' 1 9 G H2' 1 1
133 1 2 1 1 9 A H1' 1 10 A H1' 1 1
134 1 1 1 1 9 A H1' 1 10 A H1' 1 1
134 1 2 1 1 9 A H3' 1 10 A H3' 1 1
135 1 1 1 1 9 A H1' 1 10 A H1' 1 1
135 1 2 1 1 9 A H2' 1 10 A H2' 1 1
136 1 1 1 1 1 A H3' 1 2 A H3' 1 1
136 1 2 1 1 1 A H8 1 2 A H8 1 1
137 1 1 1 1 6 A H1' 1 7 A H1' 1 1
137 1 2 1 1 6 A H4' 1 7 A H4' 1 1
138 1 1 1 1 7 G H4' 1 8 G H4' 1 1
138 1 2 1 1 7 G H8 1 8 G H8 1 1
139 1 1 1 1 9 A H1' 1 10 A H1' 1 1
139 1 2 1 1 9 A H4' 1 10 A H4' 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 . . . . . . 1.505 3.512 1 1
2 1 . . . . . . 2.175 5.076 1 1
3 1 . . . . . . 2.352 5.487 1 1
4 1 . . . . . . 1.964 4.582 1 1
5 1 . . . . . . 1.94 4.526 1 1
6 1 . . . . . . 2.264 5.282 1 1
7 1 . . . . . . 1.451 3.386 1 1
8 1 . . . . . . 2.438 5.689 1 1
9 1 . . . . . . 1.518 3.543 1 1
10 1 . . . . . . 1.946 4.54 1 1
11 1 . . . . . . 2.075 4.843 1 1
12 1 . . . . . . 2.092 4.882 1 1
13 1 . . . . . . 1.986 4.635 1 1
14 1 . . . . . . 2.231 5.205 1 1
15 1 . . . . . . 1.908 4.452 1 1
16 1 . . . . . . 2.252 5.254 1 1
17 1 . . . . . . 2.101 4.902 1 1
18 1 . . . . . . 2.082 4.859 1 1
19 1 . . . . . . 2.318 5.408 1 1
20 1 . . . . . . 1.884 4.397 1 1
21 1 . . . . . . 2.037 4.754 1 1
22 1 . . . . . . 1.981 4.623 1 1
23 1 . . . . . . 2.592 6.0 1 1
24 1 . . . . . . 1.485 3.464 1 1
25 1 . . . . . . 1.481 3.455 1 1
26 1 . . . . . . 2.021 4.716 1 1
27 1 . . . . . . 1.888 4.406 1 1
28 1 . . . . . . 2.904 6.0 1 1
29 1 . . . . . . 2.471 5.766 1 1
30 1 . . . . . . 1.988 4.64 1 1
31 1 . . . . . . 1.741 4.063 1 1
32 1 . . . . . . 2.712 6.0 1 1
33 1 . . . . . . 2.008 4.686 1 1
34 1 . . . . . . 2.629 6.0 1 1
35 1 . . . . . . 1.872 4.367 1 1
36 1 . . . . . . 1.744 4.07 1 1
37 1 . . . . . . 2.181 5.089 1 1
38 1 . . . . . . 1.894 4.42 1 1
39 1 . . . . . . 2.001 4.668 1 1
40 1 . . . . . . 1.461 3.41 1 1
41 1 . . . . . . 1.989 4.642 1 1
42 1 . . . . . . 1.904 4.442 1 1
43 1 . . . . . . 2.482 5.79 1 1
44 1 . . . . . . 2.386 5.566 1 1
45 1 . . . . . . 2.466 5.755 1 1
46 1 . . . . . . 1.75 4.083 1 1
47 1 . . . . . . 2.111 4.926 1 1
48 1 . . . . . . 2.599 6.0 1 1
49 1 . . . . . . 2.498 5.829 1 1
50 1 . . . . . . 2.003 4.673 1 1
51 1 . . . . . . 1.806 4.215 1 1
52 1 . . . . . . 1.705 3.977 1 1
53 1 . . . . . . 2.861 6.0 1 1
54 1 . . . . . . 2.124 4.955 1 1
55 1 . . . . . . 2.249 5.248 1 1
56 1 . . . . . . 1.651 3.852 1 1
57 1 . . . . . . 2.486 5.8 1 1
58 1 . . . . . . 1.703 3.973 1 1
59 1 . . . . . . 1.767 4.124 1 1
60 1 . . . . . . 1.848 4.311 1 1
61 1 . . . . . . 1.478 3.449 1 1
62 1 . . . . . . 1.819 4.245 1 1
63 1 . . . . . . 2.365 5.518 1 1
64 1 . . . . . . 2.875 6.0 1 1
65 1 . . . . . . 1.721 4.016 1 1
66 1 . . . . . . 3.058 6.0 1 1
67 1 . . . . . . 2.645 6.0 1 1
68 1 . . . . . . 1.848 4.311 1 1
69 1 . . . . . . 2.292 5.349 1 1
70 1 . . . . . . 2.389 5.575 1 1
71 1 . . . . . . 2.678 6.0 1 1
72 1 . . . . . . 1.916 4.472 1 1
73 1 . . . . . . 1.689 3.942 1 1
74 1 . . . . . . 1.946 4.54 1 1
75 1 . . . . . . 2.081 4.855 1 1
76 1 . . . . . . 3.507 6.0 1 1
77 1 . . . . . . 1.971 4.599 1 1
78 1 . . . . . . 2.629 6.0 1 1
79 1 . . . . . . 3.19 6.0 1 1
80 1 . . . . . . 2.522 5.885 1 1
81 1 . . . . . . 1.646 3.84 1 1
82 1 . . . . . . 1.569 3.662 1 1
83 1 . . . . . . 1.505 3.512 1 1
84 1 . . . . . . 2.569 5.994 1 1
85 1 . . . . . . 1.491 3.48 1 1
86 1 . . . . . . 1.979 4.617 1 1
87 1 . . . . . . 1.643 3.834 1 1
88 1 . . . . . . 2.211 5.16 1 1
89 1 . . . . . . 1.697 3.96 1 1
90 1 . . . . . . 1.841 4.296 1 1
91 1 . . . . . . 2.667 6.0 1 1
92 1 . . . . . . 2.041 4.762 1 1
93 1 . . . . . . 2.775 6.0 1 1
94 1 . . . . . . 1.685 3.932 1 1
95 1 . . . . . . 1.713 3.997 1 1
96 1 . . . . . . 1.788 4.171 1 1
97 1 . . . . . . 1.596 3.723 1 1
98 1 . . . . . . 2.298 5.361 1 1
99 1 . . . . . . 3.411 6.0 1 1
100 1 . . . . . . 1.939 4.524 1 1
101 1 . . . . . . 1.861 4.342 1 1
102 1 . . . . . . 1.967 4.59 1 1
103 1 . . . . . . 1.529 3.568 1 1
104 1 . . . . . . 1.562 3.644 1 1
105 1 . . . . . . 2.518 5.875 1 1
106 1 . . . . . . 2.075 4.843 1 1
107 1 . . . . . . 2.355 5.494 1 1
108 1 . . . . . . 1.64 3.828 1 1
109 1 . . . . . . 2.452 5.722 1 1
110 1 . . . . . . 1.967 4.59 1 1
111 1 . . . . . . 2.925 6.0 1 1
112 1 . . . . . . 2.463 5.747 1 1
113 1 . . . . . . 2.528 5.898 1 1
114 1 . . . . . . 2.063 4.815 1 1
115 1 . . . . . . 1.598 3.728 1 1
116 1 . . . . . . 1.593 3.718 1 1
117 1 . . . . . . 1.951 4.552 1 1
118 1 . . . . . . 2.138 4.989 1 1
119 1 . . . . . . 1.891 4.413 1 1
120 1 . . . . . . 2.554 5.959 1 1
121 1 . . . . . . 2.616 6.0 1 1
122 1 . . . . . . 2.327 5.429 1 1
123 1 . . . . . . 1.589 3.708 1 1
124 1 . . . . . . 2.033 4.743 1 1
125 1 . . . . . . 1.623 3.787 1 1
126 1 . . . . . . 2.431 5.672 1 1
127 1 . . . . . . 1.897 4.426 1 1
128 1 . . . . . . 1.659 3.871 1 1
129 1 . . . . . . 1.938 4.522 1 1
130 1 . . . . . . 1.755 4.094 1 1
131 1 . . . . . . 2.361 5.51 1 1
132 1 . . . . . . 2.051 4.785 1 1
133 1 . . . . . . 2.479 5.785 1 1
134 1 . . . . . . 2.183 5.094 1 1
135 1 . . . . . . 1.618 3.775 1 1
136 1 . . . . . . 0.0 6.0 1 1
137 1 . . . . . . 0.0 6.0 1 1
138 1 . . . . . . 0.0 6.0 1 1
139 1 . . . . . . 0.0 6.0 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 2 A N1 1 3 A N1 1 2
1 1 2 2 2 7 DU H3 B 7 U3' H3 1 2
2 1 1 1 1 2 A H61 1 3 A H61 1 2
2 1 2 2 2 7 DU O4 B 7 U3' O4 1 2
3 1 1 1 1 3 A N1 1 4 A N1 1 2
3 1 2 2 2 6 DU H3 B 6 U H3 1 2
4 1 1 1 1 3 A H61 1 4 A H61 1 2
4 1 2 2 2 6 DU O4 B 6 U O4 1 2
5 1 1 1 1 4 G H1 1 5 G H1 1 2
5 1 2 2 2 5 DC N3 B 5 C N3 1 2
6 1 1 1 1 4 G O6 1 5 G O6 1 2
6 1 2 2 2 5 DC H41 B 5 C H42 1 2
7 1 1 1 1 4 G H21 1 5 G H22 1 2
7 1 2 2 2 5 DC O2 B 5 C O2 1 2
8 1 1 1 1 5 G H1 1 6 G H1 1 2
8 1 2 2 2 4 DC N3 B 4 C N3 1 2
9 1 1 1 1 5 G O6 1 6 G O6 1 2
9 1 2 2 2 4 DC H41 B 4 C H42 1 2
10 1 1 1 1 5 G H21 1 6 G H22 1 2
10 1 2 2 2 4 DC O2 B 4 C O2 1 2
11 1 1 1 1 6 A N1 1 7 A N1 1 2
11 1 2 2 2 3 DU H3 B 3 U H3 1 2
12 1 1 1 1 6 A H61 1 7 A H61 1 2
12 1 2 2 2 3 DU O4 B 3 U O4 1 2
13 1 1 1 1 7 G H1 1 8 G H1 1 2
13 1 2 2 2 2 DC N3 B 2 C N3 1 2
14 1 1 1 1 7 G O6 1 8 G O6 1 2
14 1 2 2 2 2 DC H41 B 2 C H42 1 2
15 1 1 1 1 7 G H21 1 8 G H22 1 2
15 1 2 2 2 2 DC O2 B 2 C O2 1 2
16 1 1 1 1 8 G H1 1 9 G H1 1 2
16 1 2 2 2 1 DC N3 B 1 C5' N3 1 2
17 1 1 1 1 8 G O6 1 9 G O6 1 2
17 1 2 2 2 1 DC H41 B 1 C5' H42 1 2
18 1 1 1 1 8 G H21 1 9 G H22 1 2
18 1 2 2 2 1 DC O2 B 1 C5' O2 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 A O3' 1 1 2 A P 1 1 2 A O5' 1 1 2 A C5' -150.0 150.0 1 2 A O3' 1 3 A P 1 3 A O5' 1 3 A C5' 1 1
2 . 1 1 2 A O3' 1 1 3 A P 1 1 3 A O5' 1 1 3 A C5' -150.0 150.0 1 3 A O3' 1 4 A P 1 4 A O5' 1 4 A C5' 1 1
3 . 1 1 3 A O3' 1 1 4 G P 1 1 4 G O5' 1 1 4 G C5' -150.0 150.0 1 4 A O3' 1 5 G P 1 5 G O5' 1 5 G C5' 1 1
4 . 1 1 4 G O3' 1 1 5 G P 1 1 5 G O5' 1 1 5 G C5' -150.0 150.0 1 5 G O3' 1 6 G P 1 6 G O5' 1 6 G C5' 1 1
5 . 1 1 5 G O3' 1 1 6 A P 1 1 6 A O5' 1 1 6 A C5' -150.0 150.0 1 6 G O3' 1 7 A P 1 7 A O5' 1 7 A C5' 1 1
6 . 1 1 6 A O3' 1 1 7 G P 1 1 7 G O5' 1 1 7 G C5' -150.0 150.0 1 7 A O3' 1 8 G P 1 8 G O5' 1 8 G C5' 1 1
7 . 1 1 7 G O3' 1 1 8 G P 1 1 8 G O5' 1 1 8 G C5' -150.0 150.0 1 8 G O3' 1 9 G P 1 9 G O5' 1 9 G C5' 1 1
8 . 1 1 8 G O3' 1 1 9 A P 1 1 9 A O5' 1 1 9 A C5' -150.0 150.0 1 9 G O3' 1 10 A P 1 10 A O5' 1 10 A C5' 1 1
9 . 1 1 2 A P 1 1 2 A O5' 1 1 2 A C5' 1 1 2 A C4' 150.0 210.0 1 3 A P 1 3 A O5' 1 3 A C5' 1 3 A C4' 1 1
10 . 1 1 3 A P 1 1 3 A O5' 1 1 3 A C5' 1 1 3 A C4' 150.0 210.0 1 4 A P 1 4 A O5' 1 4 A C5' 1 4 A C4' 1 1
11 . 1 1 4 G P 1 1 4 G O5' 1 1 4 G C5' 1 1 4 G C4' 150.0 210.0 1 5 G P 1 5 G O5' 1 5 G C5' 1 5 G C4' 1 1
12 . 1 1 5 G P 1 1 5 G O5' 1 1 5 G C5' 1 1 5 G C4' 150.0 210.0 1 6 G P 1 6 G O5' 1 6 G C5' 1 6 G C4' 1 1
13 . 1 1 6 A P 1 1 6 A O5' 1 1 6 A C5' 1 1 6 A C4' 150.0 210.0 1 7 A P 1 7 A O5' 1 7 A C5' 1 7 A C4' 1 1
14 . 1 1 7 G P 1 1 7 G O5' 1 1 7 G C5' 1 1 7 G C4' 150.0 210.0 1 8 G P 1 8 G O5' 1 8 G C5' 1 8 G C4' 1 1
15 . 1 1 8 G P 1 1 8 G O5' 1 1 8 G C5' 1 1 8 G C4' 150.0 210.0 1 9 G P 1 9 G O5' 1 9 G C5' 1 9 G C4' 1 1
16 . 1 1 9 A P 1 1 9 A O5' 1 1 9 A C5' 1 1 9 A C4' 150.0 210.0 1 10 A P 1 10 A O5' 1 10 A C5' 1 10 A C4' 1 1
17 . 1 1 1 A O5' 1 1 1 A C5' 1 1 1 A C4' 1 1 1 A C3' 30.0 89.99999 1 2 A O5' 1 2 A C5' 1 2 A C4' 1 2 A C3' 1 1
18 . 1 1 2 A O5' 1 1 2 A C5' 1 1 2 A C4' 1 1 2 A C3' 30.0 89.99999 1 3 A O5' 1 3 A C5' 1 3 A C4' 1 3 A C3' 1 1
19 . 1 1 3 A O5' 1 1 3 A C5' 1 1 3 A C4' 1 1 3 A C3' 30.0 89.99999 1 4 A O5' 1 4 A C5' 1 4 A C4' 1 4 A C3' 1 1
20 . 1 1 4 G O5' 1 1 4 G C5' 1 1 4 G C4' 1 1 4 G C3' 30.0 89.99999 1 5 G O5' 1 5 G C5' 1 5 G C4' 1 5 G C3' 1 1
21 . 1 1 5 G O5' 1 1 5 G C5' 1 1 5 G C4' 1 1 5 G C3' 30.0 89.99999 1 6 G O5' 1 6 G C5' 1 6 G C4' 1 6 G C3' 1 1
22 . 1 1 6 A O5' 1 1 6 A C5' 1 1 6 A C4' 1 1 6 A C3' 30.0 89.99999 1 7 A O5' 1 7 A C5' 1 7 A C4' 1 7 A C3' 1 1
23 . 1 1 7 G O5' 1 1 7 G C5' 1 1 7 G C4' 1 1 7 G C3' 30.0 89.99999 1 8 G O5' 1 8 G C5' 1 8 G C4' 1 8 G C3' 1 1
24 . 1 1 8 G O5' 1 1 8 G C5' 1 1 8 G C4' 1 1 8 G C3' 30.0 89.99999 1 9 G O5' 1 9 G C5' 1 9 G C4' 1 9 G C3' 1 1
25 . 1 1 9 A O5' 1 1 9 A C5' 1 1 9 A C4' 1 1 9 A C3' 30.0 89.99999 1 10 A O5' 1 10 A C5' 1 10 A C4' 1 10 A C3' 1 1
26 . 1 1 1 A C5' 1 1 1 A C4' 1 1 1 A C3' 1 1 1 A O3' 70.0 110.0 1 2 A C5' 1 2 A C4' 1 2 A C3' 1 2 A O3' 1 1
27 . 1 1 2 A C5' 1 1 2 A C4' 1 1 2 A C3' 1 1 2 A O3' 70.0 110.0 1 3 A C5' 1 3 A C4' 1 3 A C3' 1 3 A O3' 1 1
28 . 1 1 3 A C5' 1 1 3 A C4' 1 1 3 A C3' 1 1 3 A O3' 70.0 110.0 1 4 A C5' 1 4 A C4' 1 4 A C3' 1 4 A O3' 1 1
29 . 1 1 4 G C5' 1 1 4 G C4' 1 1 4 G C3' 1 1 4 G O3' 70.0 110.0 1 5 G C5' 1 5 G C4' 1 5 G C3' 1 5 G O3' 1 1
30 . 1 1 5 G C5' 1 1 5 G C4' 1 1 5 G C3' 1 1 5 G O3' 70.0 110.0 1 6 G C5' 1 6 G C4' 1 6 G C3' 1 6 G O3' 1 1
31 . 1 1 6 A C5' 1 1 6 A C4' 1 1 6 A C3' 1 1 6 A O3' 70.0 110.0 1 7 A C5' 1 7 A C4' 1 7 A C3' 1 7 A O3' 1 1
32 . 1 1 7 G C5' 1 1 7 G C4' 1 1 7 G C3' 1 1 7 G O3' 70.0 110.0 1 8 G C5' 1 8 G C4' 1 8 G C3' 1 8 G O3' 1 1
33 . 1 1 8 G C5' 1 1 8 G C4' 1 1 8 G C3' 1 1 8 G O3' 70.0 110.0 1 9 G C5' 1 9 G C4' 1 9 G C3' 1 9 G O3' 1 1
34 . 1 1 9 A C5' 1 1 9 A C4' 1 1 9 A C3' 1 1 9 A O3' 70.0 110.0 1 10 A C5' 1 10 A C4' 1 10 A C3' 1 10 A O3' 1 1
35 . 1 1 1 A C4' 1 1 1 A C3' 1 1 1 A O3' 1 1 2 A P -170.0 -100.0 1 2 A C4' 1 2 A C3' 1 2 A O3' 1 3 A P 1 1
36 . 1 1 2 A C4' 1 1 2 A C3' 1 1 2 A O3' 1 1 3 A P -170.0 -100.0 1 3 A C4' 1 3 A C3' 1 3 A O3' 1 4 A P 1 1
37 . 1 1 3 A C4' 1 1 3 A C3' 1 1 3 A O3' 1 1 4 G P -170.0 -100.0 1 4 A C4' 1 4 A C3' 1 4 A O3' 1 5 G P 1 1
38 . 1 1 4 G C4' 1 1 4 G C3' 1 1 4 G O3' 1 1 5 G P -170.0 -100.0 1 5 G C4' 1 5 G C3' 1 5 G O3' 1 6 G P 1 1
39 . 1 1 5 G C4' 1 1 5 G C3' 1 1 5 G O3' 1 1 6 A P -170.0 -100.0 1 6 G C4' 1 6 G C3' 1 6 G O3' 1 7 A P 1 1
40 . 1 1 6 A C4' 1 1 6 A C3' 1 1 6 A O3' 1 1 7 G P -170.0 -100.0 1 7 A C4' 1 7 A C3' 1 7 A O3' 1 8 G P 1 1
41 . 1 1 7 G C4' 1 1 7 G C3' 1 1 7 G O3' 1 1 8 G P -170.0 -100.0 1 8 G C4' 1 8 G C3' 1 8 G O3' 1 9 G P 1 1
42 . 1 1 8 G C4' 1 1 8 G C3' 1 1 8 G O3' 1 1 9 A P -170.0 -100.0 1 9 G C4' 1 9 G C3' 1 9 G O3' 1 10 A P 1 1
43 . 1 1 1 A C3' 1 1 1 A O3' 1 1 2 A P 1 1 2 A O5' -150.0 150.0 1 2 A C3' 1 2 A O3' 1 3 A P 1 3 A O5' 1 1
44 . 1 1 2 A C3' 1 1 2 A O3' 1 1 3 A P 1 1 3 A O5' -150.0 150.0 1 3 A C3' 1 3 A O3' 1 4 A P 1 4 A O5' 1 1
45 . 1 1 3 A C3' 1 1 3 A O3' 1 1 4 G P 1 1 4 G O5' -150.0 150.0 1 4 A C3' 1 4 A O3' 1 5 G P 1 5 G O5' 1 1
46 . 1 1 4 G C3' 1 1 4 G O3' 1 1 5 G P 1 1 5 G O5' -150.0 150.0 1 5 G C3' 1 5 G O3' 1 6 G P 1 6 G O5' 1 1
47 . 1 1 5 G C3' 1 1 5 G O3' 1 1 6 A P 1 1 6 A O5' -150.0 150.0 1 6 G C3' 1 6 G O3' 1 7 A P 1 7 A O5' 1 1
48 . 1 1 6 A C3' 1 1 6 A O3' 1 1 7 G P 1 1 7 G O5' -150.0 150.0 1 7 A C3' 1 7 A O3' 1 8 G P 1 8 G O5' 1 1
49 . 1 1 7 G C3' 1 1 7 G O3' 1 1 8 G P 1 1 8 G O5' -150.0 150.0 1 8 G C3' 1 8 G O3' 1 9 G P 1 9 G O5' 1 1
50 . 1 1 8 G C3' 1 1 8 G O3' 1 1 9 A P 1 1 9 A O5' -150.0 150.0 1 9 G C3' 1 9 G O3' 1 10 A P 1 10 A O5' 1 1
51 . 1 1 1 A O4' 1 1 1 A C1' 1 1 1 A N9 1 1 1 A C4 150.0 210.0 1 2 A O4' 1 2 A C1' 1 2 A N9 1 2 A C4 1 1
52 . 1 1 2 A O4' 1 1 2 A C1' 1 1 2 A N9 1 1 2 A C4 150.0 210.0 1 3 A O4' 1 3 A C1' 1 3 A N9 1 3 A C4 1 1
53 . 1 1 3 A O4' 1 1 3 A C1' 1 1 3 A N9 1 1 3 A C4 150.0 210.0 1 4 A O4' 1 4 A C1' 1 4 A N9 1 4 A C4 1 1
54 . 1 1 4 G O4' 1 1 4 G C1' 1 1 4 G N9 1 1 4 G C4 150.0 210.0 1 5 G O4' 1 5 G C1' 1 5 G N9 1 5 G C4 1 1
55 . 1 1 5 G O4' 1 1 5 G C1' 1 1 5 G N9 1 1 5 G C4 150.0 210.0 1 6 G O4' 1 6 G C1' 1 6 G N9 1 6 G C4 1 1
56 . 1 1 6 A O4' 1 1 6 A C1' 1 1 6 A N9 1 1 6 A C4 150.0 210.0 1 7 A O4' 1 7 A C1' 1 7 A N9 1 7 A C4 1 1
57 . 1 1 7 G O4' 1 1 7 G C1' 1 1 7 G N9 1 1 7 G C4 150.0 210.0 1 8 G O4' 1 8 G C1' 1 8 G N9 1 8 G C4 1 1
58 . 1 1 8 G O4' 1 1 8 G C1' 1 1 8 G N9 1 1 8 G C4 150.0 210.0 1 9 G O4' 1 9 G C1' 1 9 G N9 1 9 G C4 1 1
59 . 1 1 9 A O4' 1 1 9 A C1' 1 1 9 A N9 1 1 9 A C4 150.0 210.0 1 10 A O4' 1 10 A C1' 1 10 A N9 1 10 A C4 1 1
stop_
save_
save_Discover_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 2
_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 . 2 2 1 DC O3' 2 2 2 DC P 2 2 2 DC O5' 2 2 2 DC C5' 30.0 89.99999 B 1 C5' O3' B 2 C P B 2 C O5' B 2 C C5' 1 2
2 . 2 2 2 DC O3' 2 2 3 DU P 2 2 3 DU O5' 2 2 3 DU C5' 30.0 89.99999 B 2 C O3' B 3 U P B 3 U O5' B 3 U C5' 1 2
3 . 2 2 3 DU O3' 2 2 4 DC P 2 2 4 DC O5' 2 2 4 DC C5' 30.0 89.99999 B 3 U O3' B 4 C P B 4 C O5' B 4 C C5' 1 2
4 . 2 2 4 DC O3' 2 2 5 DC P 2 2 5 DC O5' 2 2 5 DC C5' 30.0 89.99999 B 4 C O3' B 5 C P B 5 C O5' B 5 C C5' 1 2
5 . 2 2 5 DC O3' 2 2 6 DU P 2 2 6 DU O5' 2 2 6 DU C5' 30.0 89.99999 B 5 C O3' B 6 U P B 6 U O5' B 6 U C5' 1 2
6 . 2 2 6 DU O3' 2 2 7 DU P 2 2 7 DU O5' 2 2 7 DU C5' 30.0 89.99999 B 6 U O3' B 7 U3' P B 7 U3' O5' B 7 U3' C5' 1 2
7 . 2 2 2 DC P 2 2 2 DC O5' 2 2 2 DC C5' 2 2 2 DC C4' 89.99999 179.99998 B 2 C P B 2 C O5' B 2 C C5' B 2 C C4' 1 2
8 . 2 2 3 DU P 2 2 3 DU O5' 2 2 3 DU C5' 2 2 3 DU C4' 89.99999 179.99998 B 3 U P B 3 U O5' B 3 U C5' B 3 U C4' 1 2
9 . 2 2 4 DC P 2 2 4 DC O5' 2 2 4 DC C5' 2 2 4 DC C4' 89.99999 179.99998 B 4 C P B 4 C O5' B 4 C C5' B 4 C C4' 1 2
10 . 2 2 5 DC P 2 2 5 DC O5' 2 2 5 DC C5' 2 2 5 DC C4' 89.99999 179.99998 B 5 C P B 5 C O5' B 5 C C5' B 5 C C4' 1 2
11 . 2 2 6 DU P 2 2 6 DU O5' 2 2 6 DU C5' 2 2 6 DU C4' 89.99999 179.99998 B 6 U P B 6 U O5' B 6 U C5' B 6 U C4' 1 2
12 . 2 2 7 DU P 2 2 7 DU O5' 2 2 7 DU C5' 2 2 7 DU C4' 89.99999 179.99998 B 7 U3' P B 7 U3' O5' B 7 U3' C5' B 7 U3' C4' 1 2
13 . 2 2 1 DC O5' 2 2 1 DC C5' 2 2 1 DC C4' 2 2 1 DC C3' 30.0 89.99999 B 1 C5' O5' B 1 C5' C5' B 1 C5' C4' B 1 C5' C3' 1 2
14 . 2 2 2 DC O5' 2 2 2 DC C5' 2 2 2 DC C4' 2 2 2 DC C3' 30.0 89.99999 B 2 C O5' B 2 C C5' B 2 C C4' B 2 C C3' 1 2
15 . 2 2 3 DU O5' 2 2 3 DU C5' 2 2 3 DU C4' 2 2 3 DU C3' 30.0 89.99999 B 3 U O5' B 3 U C5' B 3 U C4' B 3 U C3' 1 2
16 . 2 2 4 DC O5' 2 2 4 DC C5' 2 2 4 DC C4' 2 2 4 DC C3' 30.0 89.99999 B 4 C O5' B 4 C C5' B 4 C C4' B 4 C C3' 1 2
17 . 2 2 5 DC O5' 2 2 5 DC C5' 2 2 5 DC C4' 2 2 5 DC C3' 30.0 89.99999 B 5 C O5' B 5 C C5' B 5 C C4' B 5 C C3' 1 2
18 . 2 2 6 DU O5' 2 2 6 DU C5' 2 2 6 DU C4' 2 2 6 DU C3' 30.0 89.99999 B 6 U O5' B 6 U C5' B 6 U C4' B 6 U C3' 1 2
19 . 2 2 7 DU O5' 2 2 7 DU C5' 2 2 7 DU C4' 2 2 7 DU C3' 30.0 89.99999 B 7 U3' O5' B 7 U3' C5' B 7 U3' C4' B 7 U3' C3' 1 2
20 . 2 2 1 DC C5' 2 2 1 DC C4' 2 2 1 DC C3' 2 2 1 DC O3' 60.0 179.99998 B 1 C5' C5' B 1 C5' C4' B 1 C5' C3' B 1 C5' O3' 1 2
21 . 2 2 2 DC C5' 2 2 2 DC C4' 2 2 2 DC C3' 2 2 2 DC O3' 60.0 179.99998 B 2 C C5' B 2 C C4' B 2 C C3' B 2 C O3' 1 2
22 . 2 2 3 DU C5' 2 2 3 DU C4' 2 2 3 DU C3' 2 2 3 DU O3' 60.0 179.99998 B 3 U C5' B 3 U C4' B 3 U C3' B 3 U O3' 1 2
23 . 2 2 4 DC C5' 2 2 4 DC C4' 2 2 4 DC C3' 2 2 4 DC O3' 60.0 179.99998 B 4 C C5' B 4 C C4' B 4 C C3' B 4 C O3' 1 2
24 . 2 2 5 DC C5' 2 2 5 DC C4' 2 2 5 DC C3' 2 2 5 DC O3' 60.0 179.99998 B 5 C C5' B 5 C C4' B 5 C C3' B 5 C O3' 1 2
25 . 2 2 6 DU C5' 2 2 6 DU C4' 2 2 6 DU C3' 2 2 6 DU O3' 60.0 179.99998 B 6 U C5' B 6 U C4' B 6 U C3' B 6 U O3' 1 2
26 . 2 2 7 DU C5' 2 2 7 DU C4' 2 2 7 DU C3' 2 2 7 DU O3' 60.0 179.99998 B 7 U3' C5' B 7 U3' C4' B 7 U3' C3' B 7 U3' O3' 1 2
27 . 2 2 1 DC C4' 2 2 1 DC C3' 2 2 1 DC O3' 2 2 2 DC P -179.99998 -89.99999 B 1 C5' C4' B 1 C5' C3' B 1 C5' O3' B 2 C P 1 2
28 . 2 2 2 DC C4' 2 2 2 DC C3' 2 2 2 DC O3' 2 2 3 DU P -179.99998 -89.99999 B 2 C C4' B 2 C C3' B 2 C O3' B 3 U P 1 2
29 . 2 2 3 DU C4' 2 2 3 DU C3' 2 2 3 DU O3' 2 2 4 DC P -179.99998 -89.99999 B 3 U C4' B 3 U C3' B 3 U O3' B 4 C P 1 2
30 . 2 2 4 DC C4' 2 2 4 DC C3' 2 2 4 DC O3' 2 2 5 DC P -179.99998 -89.99999 B 4 C C4' B 4 C C3' B 4 C O3' B 5 C P 1 2
31 . 2 2 5 DC C4' 2 2 5 DC C3' 2 2 5 DC O3' 2 2 6 DU P -179.99998 -89.99999 B 5 C C4' B 5 C C3' B 5 C O3' B 6 U P 1 2
32 . 2 2 6 DU C4' 2 2 6 DU C3' 2 2 6 DU O3' 2 2 7 DU P -179.99998 -89.99999 B 6 U C4' B 6 U C3' B 6 U O3' B 7 U3' P 1 2
33 . 2 2 1 DC C3' 2 2 1 DC O3' 2 2 2 DC P 2 2 2 DC O5' 30.0 89.99999 B 1 C5' C3' B 1 C5' O3' B 2 C P B 2 C O5' 1 2
34 . 2 2 2 DC C3' 2 2 2 DC O3' 2 2 3 DU P 2 2 3 DU O5' 30.0 89.99999 B 2 C C3' B 2 C O3' B 3 U P B 3 U O5' 1 2
35 . 2 2 3 DU C3' 2 2 3 DU O3' 2 2 4 DC P 2 2 4 DC O5' 30.0 89.99999 B 3 U C3' B 3 U O3' B 4 C P B 4 C O5' 1 2
36 . 2 2 4 DC C3' 2 2 4 DC O3' 2 2 5 DC P 2 2 5 DC O5' 30.0 89.99999 B 4 C C3' B 4 C O3' B 5 C P B 5 C O5' 1 2
37 . 2 2 5 DC C3' 2 2 5 DC O3' 2 2 6 DU P 2 2 6 DU O5' 30.0 89.99999 B 5 C C3' B 5 C O3' B 6 U P B 6 U O5' 1 2
38 . 2 2 6 DU C3' 2 2 6 DU O3' 2 2 7 DU P 2 2 7 DU O5' 30.0 89.99999 B 6 U C3' B 6 U O3' B 7 U3' P B 7 U3' O5' 1 2
39 . 2 2 1 DC O4' 2 2 1 DC C1' 2 2 1 DC N1 2 2 1 DC C2 0.0 60.0 B 1 C5' O4' B 1 C5' C1' B 1 C5' N1 B 1 C5' C2 1 2
40 . 2 2 2 DC O4' 2 2 2 DC C1' 2 2 2 DC N1 2 2 2 DC C2 0.0 60.0 B 2 C O4' B 2 C C1' B 2 C N1 B 2 C C2 1 2
41 . 2 2 3 DU O4' 2 2 3 DU C1' 2 2 3 DU N1 2 2 3 DU C2 0.0 60.0 B 3 U O4' B 3 U C1' B 3 U N1 B 3 U C2 1 2
42 . 2 2 4 DC O4' 2 2 4 DC C1' 2 2 4 DC N1 2 2 4 DC C2 0.0 60.0 B 4 C O4' B 4 C C1' B 4 C N1 B 4 C C2 1 2
43 . 2 2 5 DC O4' 2 2 5 DC C1' 2 2 5 DC N1 2 2 5 DC C2 0.0 60.0 B 5 C O4' B 5 C C1' B 5 C N1 B 5 C C2 1 2
44 . 2 2 6 DU O4' 2 2 6 DU C1' 2 2 6 DU N1 2 2 6 DU C2 0.0 60.0 B 6 U O4' B 6 U C1' B 6 U N1 B 6 U C2 1 2
45 . 2 2 7 DU O4' 2 2 7 DU C1' 2 2 7 DU N1 2 2 7 DU C2 0.0 60.0 B 7 U3' O4' B 7 U3' C1' B 7 U3' N1 B 7 U3' C2 1 2
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 A C1' C 3.689 -7.314 14.072 1.00 . A A . 2 A C1' 1 1
1 2 1 1 1 A C2 C -0.679 -8.469 12.953 1.00 . A A . 2 A C2 1 1
1 3 1 1 1 A C2' C 4.229 -8.431 13.144 1.00 . A A . 2 A C2' 1 1
1 4 1 1 1 A C3' C 5.491 -7.799 12.569 1.00 . A A . 2 A C3' 1 1
1 5 1 1 1 A C4 C 1.204 -7.093 13.256 1.00 . A A . 2 A C4 1 1
1 6 1 1 1 A C4' C 5.982 -6.914 13.718 1.00 . A A . 2 A C4' 1 1
1 7 1 1 1 A C5 C 0.321 -5.952 13.029 1.00 . A A . 2 A C5 1 1
1 8 1 1 1 A C5' C 6.994 -5.810 13.337 1.00 . A A . 2 A C5' 1 1
1 9 1 1 1 A C6 C -1.082 -6.230 12.791 1.00 . A A . 2 A C6 1 1
1 10 1 1 1 A C8 C 2.246 -5.243 13.366 1.00 . A A . 2 A C8 1 1
1 11 1 1 1 A H1' H 3.410 -7.749 15.051 1.00 . A A . 2 A H1' 1 1
1 12 1 1 1 A H2 H -1.111 -9.458 12.899 1.00 . A A . 2 A H2 1 1
1 13 1 1 1 A H2' H 3.528 -8.716 12.335 1.00 . A A . 2 A H2' 1 1
1 14 1 1 1 A H3' H 5.182 -7.160 11.717 1.00 . A A . 2 A H3' 1 1
1 15 1 1 1 A H4' H 6.456 -7.552 14.491 1.00 . A A . 2 A H4' 1 1
1 16 1 1 1 A H5' H 6.990 -5.008 14.097 1.00 . A A . 2 A H5' 1 1
1 17 1 1 1 A H5'' H 8.016 -6.232 13.349 1.00 . A A . 2 A H5'' 1 1
1 18 1 1 1 A H61 H -2.934 -5.551 12.432 1.00 . A A . 2 A H61 1 1
1 19 1 1 1 A H62 H -1.601 -4.298 12.612 1.00 . A A . 2 A H62 1 1
1 20 1 1 1 A H8 H 3.061 -4.544 13.503 1.00 . A A . 2 A H8 1 1
1 21 1 1 1 A HO2' H 5.332 -9.961 13.435 1.00 . A A . 2 A HO2' 1 1
1 22 1 1 1 A HO5' H 7.041 -5.934 11.397 1.00 . A A . 2 A HO5' 1 1
1 23 1 1 1 A N1 N -1.518 -7.474 12.759 1.00 . A A . 2 A N1 1 1
1 24 1 1 1 A N3 N 0.605 -8.430 13.201 1.00 . A A . 2 A N3 1 1
1 25 1 1 1 A N6 N -1.966 -5.257 12.603 1.00 . A A . 2 A N6 1 1
1 26 1 1 1 A N7 N 0.992 -4.740 13.094 1.00 . A A . 2 A N7 1 1
1 27 1 1 1 A N9 N 2.489 -6.607 13.509 1.00 . A A . 2 A N9 1 1
1 28 1 1 1 A O2' O 4.570 -9.593 13.896 1.00 . A A . 2 A O2' 1 1
1 29 1 1 1 A O3' O 6.493 -8.753 12.171 1.00 . A A . 2 A O3' 1 1
1 30 1 1 1 A O4' O 4.777 -6.375 14.279 1.00 . A A . 2 A O4' 1 1
1 31 1 1 1 A O5' O 6.756 -5.255 12.043 1.00 . A A . 2 A O5' 1 1
1 32 1 1 2 A C1' C 2.413 -9.704 9.231 1.00 . A A . 3 A C1' 1 1
1 33 1 1 2 A C2 C -1.074 -6.671 9.166 1.00 . A A . 3 A C2 1 1
1 34 1 1 2 A C2' C 2.609 -10.088 7.753 1.00 . A A . 3 A C2' 1 1
1 35 1 1 2 A C3' C 4.125 -10.291 7.634 1.00 . A A . 3 A C3' 1 1
1 36 1 1 2 A C4 C 1.138 -7.435 9.349 1.00 . A A . 3 A C4 1 1
1 37 1 1 2 A C4' C 4.471 -10.842 9.026 1.00 . A A . 3 A C4' 1 1
1 38 1 1 2 A C5 C 1.543 -6.038 9.477 1.00 . A A . 3 A C5 1 1
1 39 1 1 2 A C5' C 5.914 -10.613 9.506 1.00 . A A . 3 A C5' 1 1
1 40 1 1 2 A C6 C 0.497 -5.037 9.442 1.00 . A A . 3 A C6 1 1
1 41 1 1 2 A C8 C 3.245 -7.229 9.539 1.00 . A A . 3 A C8 1 1
1 42 1 1 2 A H1' H 1.504 -10.192 9.633 1.00 . A A . 3 A H1' 1 1
1 43 1 1 2 A H2 H -2.125 -6.880 9.032 1.00 . A A . 3 A H2 1 1
1 44 1 1 2 A H2' H 2.264 -9.303 7.057 1.00 . A A . 3 A H2' 1 1
1 45 1 1 2 A H3' H 4.619 -9.309 7.488 1.00 . A A . 3 A H3' 1 1
1 46 1 1 2 A H4' H 4.267 -11.930 9.036 1.00 . A A . 3 A H4' 1 1
1 47 1 1 2 A H5' H 6.052 -11.113 10.484 1.00 . A A . 3 A H5' 1 1
1 48 1 1 2 A H5'' H 6.630 -11.092 8.813 1.00 . A A . 3 A H5'' 1 1
1 49 1 1 2 A H61 H -0.052 -3.107 9.568 1.00 . A A . 3 A H61 1 1
1 50 1 1 2 A H62 H 1.741 -3.484 9.705 1.00 . A A . 3 A H62 1 1
1 51 1 1 2 A H8 H 4.290 -7.505 9.552 1.00 . A A . 3 A H8 1 1
1 52 1 1 2 A HO2' H 1.671 -11.241 6.537 1.00 . A A . 3 A HO2' 1 1
1 53 1 1 2 A N1 N -0.760 -5.400 9.283 1.00 . A A . 3 A N1 1 1
1 54 1 1 2 A N3 N -0.289 -7.716 9.181 1.00 . A A . 3 A N3 1 1
1 55 1 1 2 A N6 N 0.755 -3.742 9.581 1.00 . A A . 3 A N6 1 1
1 56 1 1 2 A N7 N 2.917 -5.891 9.609 1.00 . A A . 3 A N7 1 1
1 57 1 1 2 A N9 N 2.280 -8.222 9.404 1.00 . A A . 3 A N9 1 1
1 58 1 1 2 A O2' O 1.893 -11.290 7.474 1.00 . A A . 3 A O2' 1 1
1 59 1 1 2 A O3' O 4.503 -11.203 6.582 1.00 . A A . 3 A O3' 1 1
1 60 1 1 2 A O4' O 3.559 -10.206 9.946 1.00 . A A . 3 A O4' 1 1
1 61 1 1 2 A O5' O 6.211 -9.207 9.609 1.00 . A A . 3 A O5' 1 1
1 62 1 1 2 A OP1 O 8.522 -9.425 10.741 1.00 . A A . 3 A OP1 1 1
1 63 1 1 2 A OP2 O 7.513 -7.146 10.454 1.00 . A A . 3 A OP2 1 1
1 64 1 1 2 A P P 7.218 -8.626 10.730 1.00 . A A . 3 A P 1 1
1 65 1 1 3 A C1' C -0.584 -9.309 4.990 1.00 . A A . 4 A C1' 1 1
1 66 1 1 3 A C2 C -2.430 -5.171 5.927 1.00 . A A . 4 A C2 1 1
1 67 1 1 3 A C2' C -0.910 -9.490 3.496 1.00 . A A . 4 A C2' 1 1
1 68 1 1 3 A C3' C 0.302 -10.263 2.960 1.00 . A A . 4 A C3' 1 1
1 69 1 1 3 A C4 C -0.748 -6.762 5.525 1.00 . A A . 4 A C4 1 1
1 70 1 1 3 A C4' C 0.671 -11.134 4.168 1.00 . A A . 4 A C4' 1 1
1 71 1 1 3 A C5 C 0.217 -5.671 5.626 1.00 . A A . 4 A C5 1 1
1 72 1 1 3 A C5' C 2.132 -11.621 4.208 1.00 . A A . 4 A C5' 1 1
1 73 1 1 3 A C6 C -0.302 -4.345 5.893 1.00 . A A . 4 A C6 1 1
1 74 1 1 3 A C8 C 1.249 -7.435 5.229 1.00 . A A . 4 A C8 1 1
1 75 1 1 3 A H1' H -1.496 -9.466 5.598 1.00 . A A . 4 A H1' 1 1
1 76 1 1 3 A H2 H -3.476 -4.929 6.048 1.00 . A A . 4 A H2 1 1
1 77 1 1 3 A H2' H -1.026 -8.530 2.964 1.00 . A A . 4 A H2' 1 1
1 78 1 1 3 A H3' H 1.128 -9.555 2.745 1.00 . A A . 4 A H3' 1 1
1 79 1 1 3 A H4' H 0.007 -12.020 4.177 1.00 . A A . 4 A H4' 1 1
1 80 1 1 3 A H5' H 2.238 -12.400 4.987 1.00 . A A . 4 A H5' 1 1
1 81 1 1 3 A H5'' H 2.403 -12.112 3.253 1.00 . A A . 4 A H5'' 1 1
1 82 1 1 3 A H61 H 0.054 -2.389 6.240 1.00 . A A . 4 A H61 1 1
1 83 1 1 3 A H62 H 1.500 -3.467 5.901 1.00 . A A . 4 A H62 1 1
1 84 1 1 3 A H8 H 2.068 -8.101 4.992 1.00 . A A . 4 A H8 1 1
1 85 1 1 3 A HO2' H -2.451 -10.014 2.476 1.00 . A A . 4 A HO2' 1 1
1 86 1 1 3 A N1 N -1.599 -4.158 6.036 1.00 . A A . 4 A N1 1 1
1 87 1 1 3 A N3 N -2.166 -6.430 5.691 1.00 . A A . 4 A N3 1 1
1 88 1 1 3 A N6 N 0.496 -3.289 6.017 1.00 . A A . 4 A N6 1 1
1 89 1 1 3 A N7 N 1.525 -6.100 5.442 1.00 . A A . 4 A N7 1 1
1 90 1 1 3 A N9 N -0.049 -7.938 5.273 1.00 . A A . 4 A N9 1 1
1 91 1 1 3 A O2' O -2.118 -10.235 3.352 1.00 . A A . 4 A O2' 1 1
1 92 1 1 3 A O3' O 0.006 -11.058 1.793 1.00 . A A . 4 A O3' 1 1
1 93 1 1 3 A O4' O 0.376 -10.332 5.331 1.00 . A A . 4 A O4' 1 1
1 94 1 1 3 A O5' O 3.038 -10.534 4.472 1.00 . A A . 4 A O5' 1 1
1 95 1 1 3 A OP1 O 5.223 -11.875 4.209 1.00 . A A . 4 A OP1 1 1
1 96 1 1 3 A OP2 O 5.343 -9.470 4.874 1.00 . A A . 4 A OP2 1 1
1 97 1 1 3 A P P 4.547 -10.767 5.020 1.00 . A A . 4 A P 1 1
1 98 1 1 4 G C1' C -4.146 -7.102 1.650 1.00 . A A . 5 G C1' 1 1
1 99 1 1 4 G C2 C -3.971 -2.662 3.004 1.00 . A A . 5 G C2 1 1
1 100 1 1 4 G C2' C -4.824 -6.959 0.275 1.00 . A A . 5 G C2' 1 1
1 101 1 1 4 G C3' C -4.138 -8.039 -0.568 1.00 . A A . 5 G C3' 1 1
1 102 1 1 4 G C4 C -3.095 -4.786 2.275 1.00 . A A . 5 G C4 1 1
1 103 1 1 4 G C4' C -3.920 -9.144 0.476 1.00 . A A . 5 G C4' 1 1
1 104 1 1 4 G C5 C -1.755 -4.268 2.296 1.00 . A A . 5 G C5 1 1
1 105 1 1 4 G C5' C -2.806 -10.153 0.144 1.00 . A A . 5 G C5' 1 1
1 106 1 1 4 G C6 C -1.503 -2.809 2.751 1.00 . A A . 5 G C6 1 1
1 107 1 1 4 G C8 C -1.674 -6.207 1.590 1.00 . A A . 5 G C8 1 1
1 108 1 1 4 G H1 H -2.445 -1.133 3.368 1.00 . A A . 5 G H1 1 1
1 109 1 1 4 G H1' H -4.891 -6.956 2.456 1.00 . A A . 5 G H1' 1 1
1 110 1 1 4 G H2' H -4.696 -5.959 -0.173 1.00 . A A . 5 G H2' 1 1
1 111 1 1 4 G H21 H -4.890 -0.858 3.536 1.00 . A A . 5 G H21 1 1
1 112 1 1 4 G H22 H -6.000 -2.236 3.195 1.00 . A A . 5 G H22 1 1
1 113 1 1 4 G H3' H -3.159 -7.667 -0.933 1.00 . A A . 5 G H3' 1 1
1 114 1 1 4 G H4' H -4.867 -9.706 0.595 1.00 . A A . 5 G H4' 1 1
1 115 1 1 4 G H5' H -2.866 -11.011 0.839 1.00 . A A . 5 G H5' 1 1
1 116 1 1 4 G H5'' H -2.958 -10.576 -0.868 1.00 . A A . 5 G H5'' 1 1
1 117 1 1 4 G H8 H -1.276 -7.113 1.153 1.00 . A A . 5 G H8 1 1
1 118 1 1 4 G HO2' H -6.460 -7.610 -0.465 1.00 . A A . 5 G HO2' 1 1
1 119 1 1 4 G N1 N -2.617 -2.104 3.088 1.00 . A A . 5 G N1 1 1
1 120 1 1 4 G N2 N -5.062 -1.835 3.270 1.00 . A A . 5 G N2 1 1
1 121 1 1 4 G N3 N -4.167 -3.892 2.659 1.00 . A A . 5 G N3 1 1
1 122 1 1 4 G N7 N -0.809 -5.172 1.857 1.00 . A A . 5 G N7 1 1
1 123 1 1 4 G N9 N -3.039 -6.105 1.832 1.00 . A A . 5 G N9 1 1
1 124 1 1 4 G O2' O -6.219 -7.238 0.388 1.00 . A A . 5 G O2' 1 1
1 125 1 1 4 G O3' O -4.961 -8.487 -1.664 1.00 . A A . 5 G O3' 1 1
1 126 1 1 4 G O4' O -3.644 -8.458 1.717 1.00 . A A . 5 G O4' 1 1
1 127 1 1 4 G O5' O -1.505 -9.544 0.226 1.00 . A A . 5 G O5' 1 1
1 128 1 1 4 G O6 O -0.387 -2.297 2.805 1.00 . A A . 5 G O6 1 1
1 129 1 1 4 G OP1 O -0.183 -11.543 -0.723 1.00 . A A . 5 G OP1 1 1
1 130 1 1 4 G OP2 O 1.057 -9.507 0.026 1.00 . A A . 5 G OP2 1 1
1 131 1 1 4 G P P -0.139 -10.415 0.310 1.00 . A A . 5 G P 1 1
1 132 1 1 5 G C1' C -6.224 -2.997 -1.011 1.00 . A A . 6 G C1' 1 1
1 133 1 1 5 G C2 C -3.432 0.423 0.371 1.00 . A A . 6 G C2 1 1
1 134 1 1 5 G C2' C -6.898 -2.346 -2.233 1.00 . A A . 6 G C2' 1 1
1 135 1 1 5 G C3' C -7.063 -3.517 -3.205 1.00 . A A . 6 G C3' 1 1
1 136 1 1 5 G C4 C -3.988 -1.724 -0.565 1.00 . A A . 6 G C4 1 1
1 137 1 1 5 G C4' C -7.347 -4.675 -2.238 1.00 . A A . 6 G C4' 1 1
1 138 1 1 5 G C5 C -2.597 -2.039 -0.738 1.00 . A A . 6 G C5 1 1
1 139 1 1 5 G C5' C -7.038 -6.082 -2.780 1.00 . A A . 6 G C5' 1 1
1 140 1 1 5 G C6 C -1.517 -1.025 -0.278 1.00 . A A . 6 G C6 1 1
1 141 1 1 5 G C8 C -3.707 -3.628 -1.458 1.00 . A A . 6 G C8 1 1
1 142 1 1 5 G H1 H -1.283 0.809 0.530 1.00 . A A . 6 G H1 1 1
1 143 1 1 5 G H1' H -6.632 -2.560 -0.078 1.00 . A A . 6 G H1' 1 1
1 144 1 1 5 G H2' H -6.299 -1.533 -2.679 1.00 . A A . 6 G H2' 1 1
1 145 1 1 5 G H21 H -3.120 2.346 1.126 1.00 . A A . 6 G H21 1 1
1 146 1 1 5 G H22 H -4.841 1.838 0.963 1.00 . A A . 6 G H22 1 1
1 147 1 1 5 G H3' H -6.110 -3.699 -3.743 1.00 . A A . 6 G H3' 1 1
1 148 1 1 5 G H4' H -8.418 -4.645 -1.958 1.00 . A A . 6 G H4' 1 1
1 149 1 1 5 G H5' H -7.433 -6.836 -2.074 1.00 . A A . 6 G H5' 1 1
1 150 1 1 5 G H5'' H -7.572 -6.253 -3.735 1.00 . A A . 6 G H5'' 1 1
1 151 1 1 5 G H8 H -3.943 -4.573 -1.929 1.00 . A A . 6 G H8 1 1
1 152 1 1 5 G HO2' H -8.717 -1.951 -2.655 1.00 . A A . 6 G HO2' 1 1
1 153 1 1 5 G N1 N -2.001 0.132 0.250 1.00 . A A . 6 G N1 1 1
1 154 1 1 5 G N2 N -3.837 1.658 0.871 1.00 . A A . 6 G N2 1 1
1 155 1 1 5 G N3 N -4.322 -0.440 0.008 1.00 . A A . 6 G N3 1 1
1 156 1 1 5 G N7 N -2.384 -3.273 -1.319 1.00 . A A . 6 G N7 1 1
1 157 1 1 5 G N9 N -4.737 -2.802 -1.021 1.00 . A A . 6 G N9 1 1
1 158 1 1 5 G O2' O -8.176 -1.828 -1.869 1.00 . A A . 6 G O2' 1 1
1 159 1 1 5 G O3' O -8.149 -3.310 -4.133 1.00 . A A . 6 G O3' 1 1
1 160 1 1 5 G O4' O -6.569 -4.399 -1.055 1.00 . A A . 6 G O4' 1 1
1 161 1 1 5 G O5' O -5.625 -6.279 -2.973 1.00 . A A . 6 G O5' 1 1
1 162 1 1 5 G O6 O -0.307 -1.225 -0.368 1.00 . A A . 6 G O6 1 1
1 163 1 1 5 G OP1 O -5.785 -8.593 -4.093 1.00 . A A . 6 G OP1 1 1
1 164 1 1 5 G OP2 O -3.531 -7.621 -3.624 1.00 . A A . 6 G OP2 1 1
1 165 1 1 5 G P P -4.966 -7.752 -3.112 1.00 . A A . 6 G P 1 1
1 166 1 1 6 A C1' C -5.865 1.838 -3.247 1.00 . A A . 7 A C1' 1 1
1 167 1 1 6 A C2 C -1.366 2.638 -2.433 1.00 . A A . 7 A C2 1 1
1 168 1 1 6 A C2' C -6.178 2.859 -4.357 1.00 . A A . 7 A C2' 1 1
1 169 1 1 6 A C3' C -7.116 2.080 -5.285 1.00 . A A . 7 A C3' 1 1
1 170 1 1 6 A C4 C -3.272 1.492 -3.191 1.00 . A A . 7 A C4 1 1
1 171 1 1 6 A C4' C -7.911 1.243 -4.272 1.00 . A A . 7 A C4' 1 1
1 172 1 1 6 A C5 C -2.376 0.433 -3.640 1.00 . A A . 7 A C5 1 1
1 173 1 1 6 A C5' C -8.570 -0.029 -4.834 1.00 . A A . 7 A C5' 1 1
1 174 1 1 6 A C6 C -0.960 0.610 -3.397 1.00 . A A . 7 A C6 1 1
1 175 1 1 6 A C8 C -4.323 -0.103 -4.127 1.00 . A A . 7 A C8 1 1
1 176 1 1 6 A H1' H -5.797 2.351 -2.267 1.00 . A A . 7 A H1' 1 1
1 177 1 1 6 A H2 H -0.922 3.510 -1.975 1.00 . A A . 7 A H2 1 1
1 178 1 1 6 A H2' H -5.279 3.209 -4.893 1.00 . A A . 7 A H2' 1 1
1 179 1 1 6 A H3' H -6.524 1.410 -5.942 1.00 . A A . 7 A H3' 1 1
1 180 1 1 6 A H4' H -8.710 1.878 -3.840 1.00 . A A . 7 A H4' 1 1
1 181 1 1 6 A H5' H -9.211 -0.480 -4.054 1.00 . A A . 7 A H5' 1 1
1 182 1 1 6 A H5'' H -9.246 0.228 -5.672 1.00 . A A . 7 A H5'' 1 1
1 183 1 1 6 A H61 H 0.908 -0.124 -3.499 1.00 . A A . 7 A H61 1 1
1 184 1 1 6 A H62 H -0.444 -1.157 -4.194 1.00 . A A . 7 A H62 1 1
1 185 1 1 6 A H8 H -5.145 -0.667 -4.546 1.00 . A A . 7 A H8 1 1
1 186 1 1 6 A HO2' H -7.394 4.323 -4.529 1.00 . A A . 7 A HO2' 1 1
1 187 1 1 6 A N1 N -0.519 1.701 -2.801 1.00 . A A . 7 A N1 1 1
1 188 1 1 6 A N3 N -2.668 2.665 -2.552 1.00 . A A . 7 A N3 1 1
1 189 1 1 6 A N6 N -0.072 -0.311 -3.749 1.00 . A A . 7 A N6 1 1
1 190 1 1 6 A N7 N -3.051 -0.615 -4.252 1.00 . A A . 7 A N7 1 1
1 191 1 1 6 A N9 N -4.576 1.115 -3.502 1.00 . A A . 7 A N9 1 1
1 192 1 1 6 A O2' O -6.853 3.988 -3.807 1.00 . A A . 7 A O2' 1 1
1 193 1 1 6 A O3' O -7.966 2.942 -6.068 1.00 . A A . 7 A O3' 1 1
1 194 1 1 6 A O4' O -6.980 0.918 -3.217 1.00 . A A . 7 A O4' 1 1
1 195 1 1 6 A O5' O -7.590 -0.985 -5.280 1.00 . A A . 7 A O5' 1 1
1 196 1 1 6 A OP1 O -9.252 -2.637 -6.351 1.00 . A A . 7 A OP1 1 1
1 197 1 1 6 A OP2 O -6.818 -3.199 -6.334 1.00 . A A . 7 A OP2 1 1
1 198 1 1 6 A P P -7.952 -2.542 -5.548 1.00 . A A . 7 A P 1 1
1 199 1 1 7 G C1' C -3.241 6.094 -5.312 1.00 . A A . 8 G C1' 1 1
1 200 1 1 7 G C2 C 1.202 4.800 -5.095 1.00 . A A . 8 G C2 1 1
1 201 1 1 7 G C2' C -3.089 7.234 -6.338 1.00 . A A . 8 G C2' 1 1
1 202 1 1 7 G C3' C -4.361 7.109 -7.182 1.00 . A A . 8 G C3' 1 1
1 203 1 1 7 G C4 C -1.143 4.556 -5.583 1.00 . A A . 8 G C4 1 1
1 204 1 1 7 G C4' C -5.381 6.684 -6.115 1.00 . A A . 8 G C4' 1 1
1 205 1 1 7 G C5 C -0.921 3.241 -6.119 1.00 . A A . 8 G C5 1 1
1 206 1 1 7 G C5' C -6.644 5.983 -6.645 1.00 . A A . 8 G C5' 1 1
1 207 1 1 7 G C6 C 0.508 2.637 -6.106 1.00 . A A . 8 G C6 1 1
1 208 1 1 7 G C8 C -2.919 3.708 -6.378 1.00 . A A . 8 G C8 1 1
1 209 1 1 7 G H1 H 2.421 3.058 -5.617 1.00 . A A . 8 G H1 1 1
1 210 1 1 7 G H1' H -2.862 6.423 -4.324 1.00 . A A . 8 G H1' 1 1
1 211 1 1 7 G H2' H -2.180 7.145 -6.956 1.00 . A A . 8 G H2' 1 1
1 212 1 1 7 G H21 H 3.217 5.214 -4.722 1.00 . A A . 8 G H21 1 1
1 213 1 1 7 G H22 H 2.056 6.531 -4.314 1.00 . A A . 8 G H22 1 1
1 214 1 1 7 G H3' H -4.241 6.298 -7.931 1.00 . A A . 8 G H3' 1 1
1 215 1 1 7 G H4' H -5.704 7.586 -5.559 1.00 . A A . 8 G H4' 1 1
1 216 1 1 7 G H5' H -7.369 5.870 -5.818 1.00 . A A . 8 G H5' 1 1
1 217 1 1 7 G H5'' H -7.145 6.616 -7.402 1.00 . A A . 8 G H5'' 1 1
1 218 1 1 7 G H8 H -3.944 3.633 -6.714 1.00 . A A . 8 G H8 1 1
1 219 1 1 7 G HO2' H -3.510 9.096 -6.282 1.00 . A A . 8 G HO2' 1 1
1 220 1 1 7 G N1 N 1.472 3.447 -5.590 1.00 . A A . 8 G N1 1 1
1 221 1 1 7 G N2 N 2.266 5.595 -4.674 1.00 . A A . 8 G N2 1 1
1 222 1 1 7 G N3 N 0.002 5.275 -5.071 1.00 . A A . 8 G N3 1 1
1 223 1 1 7 G N7 N -2.061 2.665 -6.645 1.00 . A A . 8 G N7 1 1
1 224 1 1 7 G N9 N -2.492 4.862 -5.728 1.00 . A A . 8 G N9 1 1
1 225 1 1 7 G O2' O -3.066 8.497 -5.675 1.00 . A A . 8 G O2' 1 1
1 226 1 1 7 G O3' O -4.727 8.351 -7.818 1.00 . A A . 8 G O3' 1 1
1 227 1 1 7 G O4' O -4.658 5.831 -5.203 1.00 . A A . 8 G O4' 1 1
1 228 1 1 7 G O5' O -6.342 4.696 -7.214 1.00 . A A . 8 G O5' 1 1
1 229 1 1 7 G O6 O 0.783 1.517 -6.533 1.00 . A A . 8 G O6 1 1
1 230 1 1 7 G OP1 O -8.693 4.239 -8.162 1.00 . A A . 8 G OP1 1 1
1 231 1 1 7 G OP2 O -6.930 2.484 -8.384 1.00 . A A . 8 G OP2 1 1
1 232 1 1 7 G P P -7.490 3.583 -7.482 1.00 . A A . 8 G P 1 1
1 233 1 1 8 G C1' C 0.955 8.356 -7.932 1.00 . A A . 9 G C1' 1 1
1 234 1 1 8 G C2 C 3.852 4.838 -8.720 1.00 . A A . 9 G C2 1 1
1 235 1 1 8 G C2' C 1.563 9.301 -8.983 1.00 . A A . 9 G C2' 1 1
1 236 1 1 8 G C3' C 0.340 10.020 -9.560 1.00 . A A . 9 G C3' 1 1
1 237 1 1 8 G C4 C 1.725 5.958 -8.609 1.00 . A A . 9 G C4 1 1
1 238 1 1 8 G C4' C -0.566 10.122 -8.323 1.00 . A A . 9 G C4' 1 1
1 239 1 1 8 G C5 C 1.047 4.770 -9.045 1.00 . A A . 9 G C5 1 1
1 240 1 1 8 G C5' C -2.070 10.262 -8.613 1.00 . A A . 9 G C5' 1 1
1 241 1 1 8 G C6 C 1.856 3.471 -9.286 1.00 . A A . 9 G C6 1 1
1 242 1 1 8 G C8 C -0.350 6.285 -8.902 1.00 . A A . 9 G C8 1 1
1 243 1 1 8 G H1 H 3.729 2.728 -9.295 1.00 . A A . 9 G H1 1 1
1 244 1 1 8 G H1' H 1.610 8.311 -7.040 1.00 . A A . 9 G H1' 1 1
1 245 1 1 8 G H2' H 2.129 8.773 -9.772 1.00 . A A . 9 G H2' 1 1
1 246 1 1 8 G H21 H 5.783 4.061 -8.939 1.00 . A A . 9 G H21 1 1
1 247 1 1 8 G H22 H 5.680 5.786 -8.424 1.00 . A A . 9 G H22 1 1
1 248 1 1 8 G H3' H -0.142 9.386 -10.332 1.00 . A A . 9 G H3' 1 1
1 249 1 1 8 G H4' H -0.249 10.997 -7.722 1.00 . A A . 9 G H4' 1 1
1 250 1 1 8 G H5' H -2.604 10.465 -7.666 1.00 . A A . 9 G H5' 1 1
1 251 1 1 8 G H5'' H -2.258 11.138 -9.263 1.00 . A A . 9 G H5'' 1 1
1 252 1 1 8 G H8 H -1.288 6.813 -9.001 1.00 . A A . 9 G H8 1 1
1 253 1 1 8 G HO2' H 2.207 11.085 -8.766 1.00 . A A . 9 G HO2' 1 1
1 254 1 1 8 G N1 N 3.198 3.580 -9.092 1.00 . A A . 9 G N1 1 1
1 255 1 1 8 G N2 N 5.245 4.898 -8.692 1.00 . A A . 9 G N2 1 1
1 256 1 1 8 G N3 N 3.162 5.898 -8.461 1.00 . A A . 9 G N3 1 1
1 257 1 1 8 G N7 N -0.305 4.955 -9.253 1.00 . A A . 9 G N7 1 1
1 258 1 1 8 G N9 N 0.781 6.966 -8.465 1.00 . A A . 9 G N9 1 1
1 259 1 1 8 G O2' O 2.424 10.245 -8.348 1.00 . A A . 9 G O2' 1 1
1 260 1 1 8 G O3' O 0.685 11.317 -10.091 1.00 . A A . 9 G O3' 1 1
1 261 1 1 8 G O4' O -0.312 8.932 -7.546 1.00 . A A . 9 G O4' 1 1
1 262 1 1 8 G O5' O -2.602 9.075 -9.231 1.00 . A A . 9 G O5' 1 1
1 263 1 1 8 G O6 O 1.351 2.409 -9.643 1.00 . A A . 9 G O6 1 1
1 264 1 1 8 G OP1 O -4.937 10.020 -9.758 1.00 . A A . 9 G OP1 1 1
1 265 1 1 8 G OP2 O -4.447 7.626 -10.277 1.00 . A A . 9 G OP2 1 1
1 266 1 1 8 G P P -4.191 8.768 -9.293 1.00 . A A . 9 G P 1 1
1 267 1 1 9 A C1' C 4.630 7.419 -11.857 1.00 . A A . 10 A C1' 1 1
1 268 1 1 9 A C2 C 3.604 2.984 -12.745 1.00 . A A . 10 A C2 1 1
1 269 1 1 9 A C2' C 5.335 7.906 -13.143 1.00 . A A . 10 A C2' 1 1
1 270 1 1 9 A C3' C 4.855 9.356 -13.257 1.00 . A A . 10 A C3' 1 1
1 271 1 1 9 A C4 C 3.232 5.281 -12.413 1.00 . A A . 10 A C4 1 1
1 272 1 1 9 A C4' C 4.733 9.779 -11.786 1.00 . A A . 10 A C4' 1 1
1 273 1 1 9 A C5 C 1.814 5.016 -12.626 1.00 . A A . 10 A C5 1 1
1 274 1 1 9 A C5' C 3.754 10.937 -11.518 1.00 . A A . 10 A C5' 1 1
1 275 1 1 9 A C6 C 1.424 3.644 -12.886 1.00 . A A . 10 A C6 1 1
1 276 1 1 9 A C8 C 2.056 7.048 -12.248 1.00 . A A . 10 A C8 1 1
1 277 1 1 9 A H1' H 5.313 6.778 -11.265 1.00 . A A . 10 A H1' 1 1
1 278 1 1 9 A H2 H 4.286 2.147 -12.787 1.00 . A A . 10 A H2 1 1
1 279 1 1 9 A H2' H 5.056 7.323 -14.042 1.00 . A A . 10 A H2' 1 1
1 280 1 1 9 A H3' H 3.859 9.365 -13.743 1.00 . A A . 10 A H3' 1 1
1 281 1 1 9 A H4' H 5.733 10.071 -11.409 1.00 . A A . 10 A H4' 1 1
1 282 1 1 9 A H5' H 3.742 11.165 -10.437 1.00 . A A . 10 A H5' 1 1
1 283 1 1 9 A H5'' H 4.103 11.860 -12.019 1.00 . A A . 10 A H5'' 1 1
1 284 1 1 9 A H61 H -0.029 2.299 -13.192 1.00 . A A . 10 A H61 1 1
1 285 1 1 9 A H62 H -0.540 4.050 -12.970 1.00 . A A . 10 A H62 1 1
1 286 1 1 9 A H8 H 1.807 8.090 -12.102 1.00 . A A . 10 A H8 1 1
1 287 1 1 9 A HO2' H 6.974 6.910 -12.894 1.00 . A A . 10 A HO2' 1 1
1 288 1 1 9 A HO3' H 5.348 11.060 -14.005 1.00 . A A . 10 A HO3' 1 1
1 289 1 1 9 A N1 N 2.335 2.691 -12.937 1.00 . A A . 10 A N1 1 1
1 290 1 1 9 A N3 N 4.154 4.145 -12.495 1.00 . A A . 10 A N3 1 1
1 291 1 1 9 A N6 N 0.154 3.299 -13.058 1.00 . A A . 10 A N6 1 1
1 292 1 1 9 A N7 N 1.036 6.162 -12.523 1.00 . A A . 10 A N7 1 1
1 293 1 1 9 A N9 N 3.384 6.640 -12.156 1.00 . A A . 10 A N9 1 1
1 294 1 1 9 A O2' O 6.752 7.841 -12.970 1.00 . A A . 10 A O2' 1 1
1 295 1 1 9 A O3' O 5.751 10.188 -13.989 1.00 . A A . 10 A O3' 1 1
1 296 1 1 9 A O4' O 4.321 8.595 -11.077 1.00 . A A . 10 A O4' 1 1
1 297 1 1 9 A O5' O 2.426 10.615 -11.971 1.00 . A A . 10 A O5' 1 1
1 298 1 1 9 A OP1 O 1.481 13.005 -11.861 1.00 . A A . 10 A OP1 1 1
1 299 1 1 9 A OP2 O -0.015 11.133 -12.563 1.00 . A A . 10 A OP2 1 1
1 300 1 1 9 A P P 1.133 11.532 -11.636 1.00 . A A . 10 A P 1 1
1 301 2 2 1 DC C1' C 8.140 0.039 -10.429 1.00 . B B . 1 DC C1' 1 1
1 302 2 2 1 DC C2 C 5.833 0.999 -10.203 1.00 . B B . 1 DC C2 1 1
1 303 2 2 1 DC C2' C 8.984 0.230 -9.160 1.00 . B B . 1 DC C2' 1 1
1 304 2 2 1 DC C3' C 9.634 -1.134 -8.934 1.00 . B B . 1 DC C3' 1 1
1 305 2 2 1 DC C4 C 3.924 -0.394 -9.665 1.00 . B B . 1 DC C4 1 1
1 306 2 2 1 DC C4' C 9.833 -1.602 -10.380 1.00 . B B . 1 DC C4' 1 1
1 307 2 2 1 DC C5 C 4.724 -1.500 -9.556 1.00 . B B . 1 DC C5 1 1
1 308 2 2 1 DC C5' C 10.001 -3.122 -10.556 1.00 . B B . 1 DC C5' 1 1
1 309 2 2 1 DC C6 C 6.069 -1.419 -9.770 1.00 . B B . 1 DC C6 1 1
1 310 2 2 1 DC H1' H 8.313 0.903 -11.102 1.00 . B B . 1 DC H1' 1 1
1 311 2 2 1 DC H2' H 8.407 0.574 -8.284 1.00 . B B . 1 DC H2' 1 1
1 312 2 2 1 DC H2'' H 9.761 0.997 -9.338 1.00 . B B . 1 DC H2'' 1 1
1 313 2 2 1 DC H3' H 8.933 -1.809 -8.402 1.00 . B B . 1 DC H3' 1 1
1 314 2 2 1 DC H4' H 10.732 -1.104 -10.796 1.00 . B B . 1 DC H4' 1 1
1 315 2 2 1 DC H41 H 1.972 0.355 -9.514 1.00 . B B . 1 DC H41 1 1
1 316 2 2 1 DC H42 H 2.130 -1.406 -9.195 1.00 . B B . 1 DC H42 1 1
1 317 2 2 1 DC H5 H 4.297 -2.468 -9.292 1.00 . B B . 1 DC H5 1 1
1 318 2 2 1 DC H5' H 10.300 -3.347 -11.597 1.00 . B B . 1 DC H5' 1 1
1 319 2 2 1 DC H5'' H 10.818 -3.500 -9.913 1.00 . B B . 1 DC H5'' 1 1
1 320 2 2 1 DC H6 H 6.693 -2.306 -9.670 1.00 . B B . 1 DC H6 1 1
1 321 2 2 1 DC HO5' H 8.118 -3.399 -10.804 1.00 . B B . 1 DC HO5' 1 1
1 322 2 2 1 DC N1 N 6.679 -0.103 -10.144 1.00 . B B . 1 DC N1 1 1
1 323 2 2 1 DC N3 N 4.401 0.776 -9.959 1.00 . B B . 1 DC N3 1 1
1 324 2 2 1 DC N4 N 2.537 -0.502 -9.455 1.00 . B B . 1 DC N4 1 1
1 325 2 2 1 DC O2 O 6.264 2.127 -10.449 1.00 . B B . 1 DC O2 1 1
1 326 2 2 1 DC O3' O 10.881 -1.028 -8.225 1.00 . B B . 1 DC O3' 1 1
1 327 2 2 1 DC O4' O 8.672 -1.132 -11.094 1.00 . B B . 1 DC O4' 1 1
1 328 2 2 1 DC O5' O 8.793 -3.812 -10.258 1.00 . B B . 1 DC O5' 1 1
1 329 2 2 2 DC C1' C 7.443 3.236 -5.972 1.00 . B B . 2 DC C1' 1 1
1 330 2 2 2 DC C2 C 5.033 2.552 -5.873 1.00 . B B . 2 DC C2 1 1
1 331 2 2 2 DC C2' C 7.988 3.622 -4.597 1.00 . B B . 2 DC C2' 1 1
1 332 2 2 2 DC C3' C 9.287 2.833 -4.459 1.00 . B B . 2 DC C3' 1 1
1 333 2 2 2 DC C4 C 4.359 0.229 -5.991 1.00 . B B . 2 DC C4 1 1
1 334 2 2 2 DC C4' C 9.783 2.881 -5.913 1.00 . B B . 2 DC C4' 1 1
1 335 2 2 2 DC C5 C 5.665 -0.179 -6.018 1.00 . B B . 2 DC C5 1 1
1 336 2 2 2 DC C5' C 10.766 1.774 -6.331 1.00 . B B . 2 DC C5' 1 1
1 337 2 2 2 DC C6 C 6.684 0.727 -5.994 1.00 . B B . 2 DC C6 1 1
1 338 2 2 2 DC H1' H 7.040 4.158 -6.428 1.00 . B B . 2 DC H1' 1 1
1 339 2 2 2 DC H2' H 7.281 3.442 -3.777 1.00 . B B . 2 DC H2' 1 1
1 340 2 2 2 DC H2'' H 8.202 4.707 -4.580 1.00 . B B . 2 DC H2'' 1 1
1 341 2 2 2 DC H3' H 9.076 1.789 -4.150 1.00 . B B . 2 DC H3' 1 1
1 342 2 2 2 DC H4' H 10.276 3.858 -6.088 1.00 . B B . 2 DC H4' 1 1
1 343 2 2 2 DC H41 H 2.355 -0.363 -6.010 1.00 . B B . 2 DC H41 1 1
1 344 2 2 2 DC H42 H 3.540 -1.718 -6.004 1.00 . B B . 2 DC H42 1 1
1 345 2 2 2 DC H5 H 5.915 -1.240 -6.058 1.00 . B B . 2 DC H5 1 1
1 346 2 2 2 DC H5' H 11.077 1.927 -7.382 1.00 . B B . 2 DC H5' 1 1
1 347 2 2 2 DC H5'' H 11.689 1.841 -5.723 1.00 . B B . 2 DC H5'' 1 1
1 348 2 2 2 DC H6 H 7.717 0.382 -6.008 1.00 . B B . 2 DC H6 1 1
1 349 2 2 2 DC N1 N 6.373 2.190 -5.944 1.00 . B B . 2 DC N1 1 1
1 350 2 2 2 DC N3 N 4.027 1.483 -5.940 1.00 . B B . 2 DC N3 1 1
1 351 2 2 2 DC N4 N 3.319 -0.718 -6.011 1.00 . B B . 2 DC N4 1 1
1 352 2 2 2 DC O2 O 4.693 3.729 -5.742 1.00 . B B . 2 DC O2 1 1
1 353 2 2 2 DC O3' O 10.205 3.464 -3.547 1.00 . B B . 2 DC O3' 1 1
1 354 2 2 2 DC O4' O 8.596 2.823 -6.739 1.00 . B B . 2 DC O4' 1 1
1 355 2 2 2 DC O5' O 10.178 0.473 -6.177 1.00 . B B . 2 DC O5' 1 1
1 356 2 2 2 DC OP1 O 12.394 -0.853 -6.151 1.00 . B B . 2 DC OP1 1 1
1 357 2 2 2 DC OP2 O 10.223 -2.086 -5.979 1.00 . B B . 2 DC OP2 1 1
1 358 2 2 2 DC P P 10.936 -0.889 -6.611 1.00 . B B . 2 DC P 1 1
1 359 2 2 3 DU C1' C 5.091 4.973 -1.231 1.00 . B B . 3 DU C1' 1 1
1 360 2 2 3 DU C2 C 3.136 3.537 -1.859 1.00 . B B . 3 DU C2 1 1
1 361 2 2 3 DU C2' C 5.730 4.837 0.155 1.00 . B B . 3 DU C2' 1 1
1 362 2 2 3 DU C3' C 6.753 5.970 0.197 1.00 . B B . 3 DU C3' 1 1
1 363 2 2 3 DU C4 C 3.330 1.222 -2.493 1.00 . B B . 3 DU C4 1 1
1 364 2 2 3 DU C4' C 7.136 6.152 -1.288 1.00 . B B . 3 DU C4' 1 1
1 365 2 2 3 DU C5 C 4.868 1.343 -2.393 1.00 . B B . 3 DU C5 1 1
1 366 2 2 3 DU C5' C 8.543 5.658 -1.676 1.00 . B B . 3 DU C5' 1 1
1 367 2 2 3 DU C6 C 5.405 2.532 -2.037 1.00 . B B . 3 DU C6 1 1
1 368 2 2 3 DU H1' H 4.323 5.773 -1.181 1.00 . B B . 3 DU H1' 1 1
1 369 2 2 3 DU H2' H 6.262 3.873 0.265 1.00 . B B . 3 DU H2' 1 1
1 370 2 2 3 DU H2'' H 4.992 4.887 0.972 1.00 . B B . 3 DU H2'' 1 1
1 371 2 2 3 DU H3 H 1.583 2.273 -2.292 1.00 . B B . 3 DU H3 1 1
1 372 2 2 3 DU H3' H 7.624 5.686 0.820 1.00 . B B . 3 DU H3' 1 1
1 373 2 2 3 DU H4' H 7.085 7.228 -1.543 1.00 . B B . 3 DU H4' 1 1
1 374 2 2 3 DU H5 H 5.496 0.481 -2.617 1.00 . B B . 3 DU H5 1 1
1 375 2 2 3 DU H5' H 8.765 5.955 -2.717 1.00 . B B . 3 DU H5' 1 1
1 376 2 2 3 DU H5'' H 9.309 6.154 -1.050 1.00 . B B . 3 DU H5'' 1 1
1 377 2 2 3 DU H6 H 6.488 2.645 -1.976 1.00 . B B . 3 DU H6 1 1
1 378 2 2 3 DU N1 N 4.512 3.689 -1.732 1.00 . B B . 3 DU N1 1 1
1 379 2 2 3 DU N3 N 2.604 2.341 -2.233 1.00 . B B . 3 DU N3 1 1
1 380 2 2 3 DU O2 O 2.337 4.445 -1.634 1.00 . B B . 3 DU O2 1 1
1 381 2 2 3 DU O3' O 6.194 7.203 0.702 1.00 . B B . 3 DU O3' 1 1
1 382 2 2 3 DU O4 O 2.776 0.170 -2.799 1.00 . B B . 3 DU O4 1 1
1 383 2 2 3 DU O4' O 6.147 5.451 -2.082 1.00 . B B . 3 DU O4' 1 1
1 384 2 2 3 DU O5' O 8.651 4.229 -1.541 1.00 . B B . 3 DU O5' 1 1
1 385 2 2 3 DU OP1 O 11.206 4.073 -1.252 1.00 . B B . 3 DU OP1 1 1
1 386 2 2 3 DU OP2 O 9.869 1.972 -1.471 1.00 . B B . 3 DU OP2 1 1
1 387 2 2 3 DU P P 10.000 3.423 -1.934 1.00 . B B . 3 DU P 1 1
1 388 2 2 4 DC C1' C 0.503 5.454 1.264 1.00 . B B . 4 DC C1' 1 1
1 389 2 2 4 DC C2 C 0.173 2.989 0.980 1.00 . B B . 4 DC C2 1 1
1 390 2 2 4 DC C2' C -0.001 5.995 2.606 1.00 . B B . 4 DC C2' 1 1
1 391 2 2 4 DC C3' C 1.120 6.908 3.104 1.00 . B B . 4 DC C3' 1 1
1 392 2 2 4 DC C4 C 2.009 1.430 1.235 1.00 . B B . 4 DC C4 1 1
1 393 2 2 4 DC C4' C 1.643 7.452 1.767 1.00 . B B . 4 DC C4' 1 1
1 394 2 2 4 DC C5 C 2.841 2.433 1.656 1.00 . B B . 4 DC C5 1 1
1 395 2 2 4 DC C5' C 3.076 8.010 1.754 1.00 . B B . 4 DC C5' 1 1
1 396 2 2 4 DC C6 C 2.400 3.722 1.739 1.00 . B B . 4 DC C6 1 1
1 397 2 2 4 DC H1' H -0.317 5.530 0.520 1.00 . B B . 4 DC H1' 1 1
1 398 2 2 4 DC H2' H -0.262 5.212 3.335 1.00 . B B . 4 DC H2' 1 1
1 399 2 2 4 DC H2'' H -0.924 6.580 2.439 1.00 . B B . 4 DC H2'' 1 1
1 400 2 2 4 DC H3' H 1.905 6.313 3.614 1.00 . B B . 4 DC H3' 1 1
1 401 2 2 4 DC H4' H 0.967 8.259 1.423 1.00 . B B . 4 DC H4' 1 1
1 402 2 2 4 DC H41 H 1.831 -0.603 0.784 1.00 . B B . 4 DC H41 1 1
1 403 2 2 4 DC H42 H 3.464 -0.099 1.348 1.00 . B B . 4 DC H42 1 1
1 404 2 2 4 DC H5 H 3.876 2.221 1.928 1.00 . B B . 4 DC H5 1 1
1 405 2 2 4 DC H5' H 3.333 8.343 0.730 1.00 . B B . 4 DC H5' 1 1
1 406 2 2 4 DC H5'' H 3.123 8.915 2.391 1.00 . B B . 4 DC H5'' 1 1
1 407 2 2 4 DC H6 H 3.063 4.516 2.086 1.00 . B B . 4 DC H6 1 1
1 408 2 2 4 DC N1 N 0.995 4.047 1.341 1.00 . B B . 4 DC N1 1 1
1 409 2 2 4 DC N3 N 0.767 1.646 0.925 1.00 . B B . 4 DC N3 1 1
1 410 2 2 4 DC N4 N 2.488 0.113 1.117 1.00 . B B . 4 DC N4 1 1
1 411 2 2 4 DC O2 O -1.018 3.166 0.718 1.00 . B B . 4 DC O2 1 1
1 412 2 2 4 DC O3' O 0.630 7.954 3.964 1.00 . B B . 4 DC O3' 1 1
1 413 2 2 4 DC O4' O 1.542 6.358 0.836 1.00 . B B . 4 DC O4' 1 1
1 414 2 2 4 DC O5' O 4.047 7.051 2.213 1.00 . B B . 4 DC O5' 1 1
1 415 2 2 4 DC OP1 O 5.853 8.849 2.654 1.00 . B B . 4 DC OP1 1 1
1 416 2 2 4 DC OP2 O 6.363 6.458 3.172 1.00 . B B . 4 DC OP2 1 1
1 417 2 2 4 DC P P 5.630 7.400 2.214 1.00 . B B . 4 DC P 1 1
1 418 2 2 5 DC C1' C -3.380 3.939 5.055 1.00 . B B . 5 DC C1' 1 1
1 419 2 2 5 DC C2 C -2.594 1.649 4.363 1.00 . B B . 5 DC C2 1 1
1 420 2 2 5 DC C2' C -3.447 4.467 6.494 1.00 . B B . 5 DC C2' 1 1
1 421 2 2 5 DC C3' C -4.064 5.857 6.346 1.00 . B B . 5 DC C3' 1 1
1 422 2 2 5 DC C4 C -0.245 1.051 4.457 1.00 . B B . 5 DC C4 1 1
1 423 2 2 5 DC C4' C -3.610 6.291 4.937 1.00 . B B . 5 DC C4' 1 1
1 424 2 2 5 DC C5 C 0.087 2.298 4.909 1.00 . B B . 5 DC C5 1 1
1 425 2 2 5 DC C5' C -2.486 7.346 4.905 1.00 . B B . 5 DC C5' 1 1
1 426 2 2 5 DC C6 C -0.867 3.251 5.104 1.00 . B B . 5 DC C6 1 1
1 427 2 2 5 DC H1' H -4.380 3.533 4.798 1.00 . B B . 5 DC H1' 1 1
1 428 2 2 5 DC H2' H -2.441 4.572 6.941 1.00 . B B . 5 DC H2' 1 1
1 429 2 2 5 DC H2'' H -4.021 3.807 7.162 1.00 . B B . 5 DC H2'' 1 1
1 430 2 2 5 DC H3' H -3.690 6.540 7.135 1.00 . B B . 5 DC H3' 1 1
1 431 2 2 5 DC H4' H -4.475 6.714 4.393 1.00 . B B . 5 DC H4' 1 1
1 432 2 2 5 DC H41 H 0.486 -0.832 3.898 1.00 . B B . 5 DC H41 1 1
1 433 2 2 5 DC H42 H 1.728 0.307 4.526 1.00 . B B . 5 DC H42 1 1
1 434 2 2 5 DC H5 H 1.125 2.555 5.124 1.00 . B B . 5 DC H5 1 1
1 435 2 2 5 DC H5' H -2.332 7.692 3.866 1.00 . B B . 5 DC H5' 1 1
1 436 2 2 5 DC H5'' H -2.786 8.243 5.480 1.00 . B B . 5 DC H5'' 1 1
1 437 2 2 5 DC H6 H -0.585 4.243 5.462 1.00 . B B . 5 DC H6 1 1
1 438 2 2 5 DC N1 N -2.303 2.927 4.830 1.00 . B B . 5 DC N1 1 1
1 439 2 2 5 DC N3 N -1.468 0.719 4.172 1.00 . B B . 5 DC N3 1 1
1 440 2 2 5 DC N4 N 0.756 0.077 4.297 1.00 . B B . 5 DC N4 1 1
1 441 2 2 5 DC O2 O -3.750 1.293 4.129 1.00 . B B . 5 DC O2 1 1
1 442 2 2 5 DC O3' O -5.507 5.824 6.397 1.00 . B B . 5 DC O3' 1 1
1 443 2 2 5 DC O4' O -3.166 5.103 4.236 1.00 . B B . 5 DC O4' 1 1
1 444 2 2 5 DC O5' O -1.258 6.813 5.431 1.00 . B B . 5 DC O5' 1 1
1 445 2 2 5 DC OP1 O -0.145 9.007 6.185 1.00 . B B . 5 DC OP1 1 1
1 446 2 2 5 DC OP2 O 1.171 6.883 6.249 1.00 . B B . 5 DC OP2 1 1
1 447 2 2 5 DC P P 0.112 7.674 5.479 1.00 . B B . 5 DC P 1 1
1 448 2 2 6 DU C1' C -6.152 -0.095 6.762 1.00 . B B . 6 DU C1' 1 1
1 449 2 2 6 DU C2 C -3.971 -1.311 6.790 1.00 . B B . 6 DU C2 1 1
1 450 2 2 6 DU C2' C -7.099 -0.330 7.947 1.00 . B B . 6 DU C2' 1 1
1 451 2 2 6 DU C3' C -7.701 1.040 8.261 1.00 . B B . 6 DU C3' 1 1
1 452 2 2 6 DU C4 C -1.902 -0.349 7.560 1.00 . B B . 6 DU C4 1 1
1 453 2 2 6 DU C4' C -7.674 1.695 6.873 1.00 . B B . 6 DU C4' 1 1
1 454 2 2 6 DU C5 C -2.684 0.909 8.016 1.00 . B B . 6 DU C5 1 1
1 455 2 2 6 DU C5' C -7.676 3.233 6.842 1.00 . B B . 6 DU C5' 1 1
1 456 2 2 6 DU C6 C -4.020 0.960 7.799 1.00 . B B . 6 DU C6 1 1
1 457 2 2 6 DU H1' H -6.398 -0.832 5.971 1.00 . B B . 6 DU H1' 1 1
1 458 2 2 6 DU H2' H -6.606 -0.768 8.830 1.00 . B B . 6 DU H2' 1 1
1 459 2 2 6 DU H2'' H -7.892 -1.040 7.649 1.00 . B B . 6 DU H2'' 1 1
1 460 2 2 6 DU H3 H -2.135 -2.198 6.708 1.00 . B B . 6 DU H3 1 1
1 461 2 2 6 DU H3' H -7.042 1.591 8.962 1.00 . B B . 6 DU H3' 1 1
1 462 2 2 6 DU H4' H -8.548 1.341 6.291 1.00 . B B . 6 DU H4' 1 1
1 463 2 2 6 DU H5 H -2.155 1.730 8.499 1.00 . B B . 6 DU H5 1 1
1 464 2 2 6 DU H5' H -7.590 3.585 5.796 1.00 . B B . 6 DU H5' 1 1
1 465 2 2 6 DU H5'' H -8.649 3.608 7.213 1.00 . B B . 6 DU H5'' 1 1
1 466 2 2 6 DU H6 H -4.599 1.830 8.113 1.00 . B B . 6 DU H6 1 1
1 467 2 2 6 DU N1 N -4.704 -0.180 7.122 1.00 . B B . 6 DU N1 1 1
1 468 2 2 6 DU N3 N -2.628 -1.349 6.998 1.00 . B B . 6 DU N3 1 1
1 469 2 2 6 DU O2 O -4.480 -2.322 6.309 1.00 . B B . 6 DU O2 1 1
1 470 2 2 6 DU O3' O -9.040 0.949 8.791 1.00 . B B . 6 DU O3' 1 1
1 471 2 2 6 DU O4 O -0.685 -0.466 7.684 1.00 . B B . 6 DU O4 1 1
1 472 2 2 6 DU O4' O -6.482 1.204 6.234 1.00 . B B . 6 DU O4' 1 1
1 473 2 2 6 DU O5' O -6.614 3.790 7.637 1.00 . B B . 6 DU O5' 1 1
1 474 2 2 6 DU OP1 O -7.694 6.136 7.724 1.00 . B B . 6 DU OP1 1 1
1 475 2 2 6 DU OP2 O -5.573 5.725 8.979 1.00 . B B . 6 DU OP2 1 1
1 476 2 2 6 DU P P -6.358 5.388 7.710 1.00 . B B . 6 DU P 1 1
1 477 2 2 7 DU C1' C -7.019 -4.524 9.628 1.00 . B B . 7 DU C1' 1 1
1 478 2 2 7 DU C2 C -4.536 -4.320 9.378 1.00 . B B . 7 DU C2 1 1
1 479 2 2 7 DU C2' C -7.724 -5.081 10.881 1.00 . B B . 7 DU C2' 1 1
1 480 2 2 7 DU C3' C -8.887 -4.122 11.121 1.00 . B B . 7 DU C3' 1 1
1 481 2 2 7 DU C4 C -3.228 -2.525 10.310 1.00 . B B . 7 DU C4 1 1
1 482 2 2 7 DU C4' C -9.203 -3.628 9.702 1.00 . B B . 7 DU C4' 1 1
1 483 2 2 7 DU C5 C -4.523 -1.911 10.893 1.00 . B B . 7 DU C5 1 1
1 484 2 2 7 DU C5' C -9.839 -2.231 9.610 1.00 . B B . 7 DU C5' 1 1
1 485 2 2 7 DU C6 C -5.699 -2.550 10.684 1.00 . B B . 7 DU C6 1 1
1 486 2 2 7 DU H1' H -6.872 -5.369 8.927 1.00 . B B . 7 DU H1' 1 1
1 487 2 2 7 DU H2' H -7.062 -5.168 11.763 1.00 . B B . 7 DU H2' 1 1
1 488 2 2 7 DU H2'' H -8.104 -6.099 10.672 1.00 . B B . 7 DU H2'' 1 1
1 489 2 2 7 DU H3 H -2.511 -4.098 9.215 1.00 . B B . 7 DU H3 1 1
1 490 2 2 7 DU H3' H -8.554 -3.288 11.768 1.00 . B B . 7 DU H3' 1 1
1 491 2 2 7 DU H4' H -9.871 -4.355 9.199 1.00 . B B . 7 DU H4' 1 1
1 492 2 2 7 DU H5 H -4.476 -0.979 11.456 1.00 . B B . 7 DU H5 1 1
1 493 2 2 7 DU H5' H -9.999 -1.959 8.549 1.00 . B B . 7 DU H5' 1 1
1 494 2 2 7 DU H5'' H -10.841 -2.233 10.081 1.00 . B B . 7 DU H5'' 1 1
1 495 2 2 7 DU H6 H -6.622 -2.128 11.083 1.00 . B B . 7 DU H6 1 1
1 496 2 2 7 DU HO3' H -10.666 -4.113 11.854 1.00 . B B . 7 DU HO3' 1 1
1 497 2 2 7 DU N1 N -5.725 -3.820 9.897 1.00 . B B . 7 DU N1 1 1
1 498 2 2 7 DU N3 N -3.361 -3.670 9.593 1.00 . B B . 7 DU N3 1 1
1 499 2 2 7 DU O2 O -4.473 -5.358 8.718 1.00 . B B . 7 DU O2 1 1
1 500 2 2 7 DU O3' O -9.996 -4.787 11.714 1.00 . B B . 7 DU O3' 1 1
1 501 2 2 7 DU O4 O -2.119 -2.022 10.477 1.00 . B B . 7 DU O4 1 1
1 502 2 2 7 DU O4' O -7.947 -3.620 9.001 1.00 . B B . 7 DU O4' 1 1
1 503 2 2 7 DU O5' O -9.004 -1.249 10.248 1.00 . B B . 7 DU O5' 1 1
1 504 2 2 7 DU OP1 O -10.844 0.517 10.588 1.00 . B B . 7 DU OP1 1 1
1 505 2 2 7 DU OP2 O -8.507 1.026 11.317 1.00 . B B . 7 DU OP2 1 1
1 506 2 2 7 DU P P -9.361 0.328 10.258 1.00 . B B . 7 DU P 1 1
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