NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
374677 |
1ekd   |
cing | 4-filtered-FRED | STAR | entry | full | 136 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1ekd
# This FRED archive file contains, for PDB entry <1ekd>:
#
# - 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_1ekd
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1ekd
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 5067.02
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 $RNA__5__R__GP_GP_CP_GP_UP_GP_CP_C__3__ A . 1 1
2 . 1 $RNA__5__R__GP_GP_CP_GP_UP_GP_CP_C__3__ B . 1 1
stop_
save_
save_RNA__5__R__GP_GP_CP_GP_UP_GP_CP_C__3__
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "RNA 5 R GP GP CP GP UP GP CP C 3 "
_Entity.Type polymer
_Entity.Polymer_type polyribonucleotide
_Entity.Polymer_seq_one_letter_code GGCGUGCC
_Entity.Number_of_monomers 8
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 G . 1 1
5 U . 1 1
6 G . 1 1
7 C . 1 1
8 C . 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
G 4 4 1 1
U 5 5 1 1
G 6 6 1 1
C 7 7 1 1
C 8 8 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 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
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 H2' 1 1 G5' H2' 1 1
2 1 1 1 1 1 G H1' 1 1 G5' H1' 1 1
2 1 2 1 1 1 G H3' 1 1 G5' H3' 1 1
3 1 1 1 1 1 G H1' 1 1 G5' H1' 1 1
3 1 2 1 1 1 G H4' 1 1 G5' H4' 1 1
4 1 1 1 1 1 G H1' 1 1 G5' H1' 1 1
4 1 2 1 1 1 G H8 1 1 G5' H8 1 1
5 1 1 1 1 1 G H2' 1 1 G5' H2' 1 1
5 1 2 1 1 1 G H8 1 1 G5' H8 1 1
6 1 1 1 1 1 G H2' 1 1 G5' H2' 1 1
6 1 2 1 1 2 G H1' 1 2 G H1' 1 1
7 1 1 1 1 1 G H2' 1 1 G5' H2' 1 1
7 1 2 1 1 2 G H8 1 2 G H8 1 1
8 1 1 1 1 1 G H3' 1 1 G5' H3' 1 1
8 1 2 1 1 1 G H8 1 1 G5' H8 1 1
9 1 1 1 1 1 G H3' 1 1 G5' H3' 1 1
9 1 2 1 1 2 G H8 1 2 G H8 1 1
10 1 1 1 1 1 G H5' 1 1 G5' H5'1 1 1
10 1 2 1 1 1 G H8 1 1 G5' H8 1 1
11 1 1 1 1 2 G H1' 1 2 G H1' 1 1
11 1 2 1 1 2 G H2' 1 2 G H2' 1 1
12 1 1 1 1 2 G H1' 1 2 G H1' 1 1
12 1 2 1 1 2 G H3' 1 2 G H3' 1 1
13 1 1 1 1 2 G H1' 1 2 G H1' 1 1
13 1 2 1 1 2 G H4' 1 2 G H4' 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 H2' 1 2 G H2' 1 1
15 1 2 1 1 2 G H8 1 2 G H8 1 1
16 1 1 1 1 2 G H2' 1 2 G H2' 1 1
16 1 2 1 1 3 C H5 1 3 C H5 1 1
17 1 1 1 1 2 G H2' 1 2 G H2' 1 1
17 1 2 1 1 3 C H6 1 3 C H6 1 1
18 1 1 1 1 2 G H3' 1 2 G H3' 1 1
18 1 2 1 1 2 G H8 1 2 G H8 1 1
19 1 1 1 1 2 G H3' 1 2 G H3' 1 1
19 1 2 1 1 3 C H5 1 3 C H5 1 1
20 1 1 1 1 2 G H5' 1 2 G H5'1 1 1
20 1 2 1 1 2 G H8 1 2 G H8 1 1
21 1 1 1 1 2 G H8 1 2 G H8 1 1
21 1 2 1 1 3 C H5 1 3 C H5 1 1
22 1 1 1 1 3 C H1' 1 3 C H1' 1 1
22 1 2 1 1 3 C H2' 1 3 C H2' 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 H4' 1 3 C H4' 1 1
25 1 1 1 1 3 C H1' 1 3 C H1' 1 1
25 1 2 1 1 3 C H6 1 3 C H6 1 1
26 1 1 1 1 3 C H1' 1 3 C H1' 1 1
26 1 2 1 1 4 G H5' 1 4 G H5'1 1 1
27 1 1 1 1 3 C H1' 1 3 C H1' 1 1
27 1 2 1 1 4 G H8 1 4 G H8 1 1
28 1 1 1 1 3 C H2' 1 3 C H2' 1 1
28 1 2 1 1 3 C H6 1 3 C H6 1 1
29 1 1 1 1 3 C H2' 1 3 C H2' 1 1
29 1 2 1 1 4 G H1' 1 4 G H1' 1 1
30 1 1 1 1 3 C H2' 1 3 C H2' 1 1
30 1 2 1 1 4 G H8 1 4 G H8 1 1
31 1 1 1 1 3 C H3' 1 3 C H3' 1 1
31 1 2 1 1 3 C H5 1 3 C H5 1 1
32 1 1 1 1 3 C H3' 1 3 C H3' 1 1
32 1 2 1 1 3 C H6 1 3 C H6 1 1
33 1 1 1 1 3 C H3' 1 3 C H3' 1 1
33 1 2 1 1 4 G H8 1 4 G H8 1 1
34 1 1 1 1 3 C H5 1 3 C H5 1 1
34 1 2 1 1 3 C H6 1 3 C H6 1 1
35 1 1 1 1 4 G H1' 1 4 G H1' 1 1
35 1 2 1 1 4 G H2' 1 4 G H2' 1 1
36 1 1 1 1 4 G H1' 1 4 G H1' 1 1
36 1 2 1 1 4 G H3' 1 4 G H3' 1 1
37 1 1 1 1 4 G H1' 1 4 G H1' 1 1
37 1 2 1 1 4 G H4' 1 4 G H4' 1 1
38 1 1 1 1 4 G H1' 1 4 G H1' 1 1
38 1 2 1 1 4 G H8 1 4 G H8 1 1
39 1 1 1 1 4 G H1' 1 4 G H1' 1 1
39 1 2 1 1 5 U H6 1 5 U H6 1 1
40 1 1 1 1 4 G H2' 1 4 G H2' 1 1
40 1 2 1 1 4 G H8 1 4 G H8 1 1
41 1 1 1 1 4 G H2' 1 4 G H2' 1 1
41 1 2 1 1 5 U H6 1 5 U H6 1 1
42 1 1 1 1 4 G H3' 1 4 G H3' 1 1
42 1 2 1 1 4 G H8 1 4 G H8 1 1
43 1 1 1 1 4 G H3' 1 4 G H3' 1 1
43 1 2 1 1 5 U H5 1 5 U H5 1 1
44 1 1 1 1 4 G H3' 1 4 G H3' 1 1
44 1 2 1 1 5 U H6 1 5 U H6 1 1
45 1 1 1 1 4 G H5' 1 4 G H5'1 1 1
45 1 2 1 1 4 G H8 1 4 G H8 1 1
46 1 1 1 1 4 G H5'' 1 4 G H5'2 1 1
46 1 2 1 1 4 G H8 1 4 G H8 1 1
47 1 1 1 1 4 G H8 1 4 G H8 1 1
47 1 2 1 1 5 U H5 1 5 U H5 1 1
48 1 1 1 1 5 U H1' 1 5 U H1' 1 1
48 1 2 1 1 5 U H2' 1 5 U H2' 1 1
49 1 1 1 1 5 U H1' 1 5 U H1' 1 1
49 1 2 1 1 5 U H3' 1 5 U H3' 1 1
50 1 1 1 1 5 U H1' 1 5 U H1' 1 1
50 1 2 1 1 5 U H4' 1 5 U H4' 1 1
51 1 1 1 1 5 U H1' 1 5 U H1' 1 1
51 1 2 1 1 5 U H6 1 5 U H6 1 1
52 1 1 1 1 5 U H1' 1 5 U H1' 1 1
52 1 2 1 1 6 G H8 1 6 G H8 1 1
53 1 1 1 1 5 U H2' 1 5 U H2' 1 1
53 1 2 1 1 6 G H8 1 6 G H8 1 1
54 1 1 1 1 5 U H3' 1 5 U H3' 1 1
54 1 2 1 1 5 U H6 1 5 U H6 1 1
55 1 1 1 1 5 U H3' 1 5 U H3' 1 1
55 1 2 1 1 6 G H8 1 6 G H8 1 1
56 1 1 1 1 5 U H5 1 5 U H5 1 1
56 1 2 1 1 5 U H6 1 5 U H6 1 1
57 1 1 1 1 6 G H1' 1 6 G H1' 1 1
57 1 2 1 1 6 G H2' 1 6 G H2' 1 1
58 1 1 1 1 6 G H1' 1 6 G H1' 1 1
58 1 2 1 1 6 G H3' 1 6 G H3' 1 1
59 1 1 1 1 6 G H1' 1 6 G H1' 1 1
59 1 2 1 1 6 G H4' 1 6 G H4' 1 1
60 1 1 1 1 6 G H1' 1 6 G H1' 1 1
60 1 2 1 1 6 G H8 1 6 G H8 1 1
61 1 1 1 1 6 G H2' 1 6 G H2' 1 1
61 1 2 1 1 6 G H8 1 6 G H8 1 1
62 1 1 1 1 6 G H2' 1 6 G H2' 1 1
62 1 2 1 1 7 C H1' 1 7 C H1' 1 1
63 1 1 1 1 6 G H2' 1 6 G H2' 1 1
63 1 2 1 1 7 C H5 1 7 C H5 1 1
64 1 1 1 1 6 G H2' 1 6 G H2' 1 1
64 1 2 1 1 7 C H6 1 7 C H6 1 1
65 1 1 1 1 6 G H3' 1 6 G H3' 1 1
65 1 2 1 1 6 G H8 1 6 G H8 1 1
66 1 1 1 1 6 G H3' 1 6 G H3' 1 1
66 1 2 1 1 7 C H5 1 7 C H5 1 1
67 1 1 1 1 6 G H3' 1 6 G H3' 1 1
67 1 2 1 1 7 C H6 1 7 C H6 1 1
68 1 1 1 1 6 G H5' 1 6 G H5'1 1 1
68 1 2 1 1 6 G H8 1 6 G H8 1 1
69 1 1 1 1 6 G H8 1 6 G H8 1 1
69 1 2 1 1 7 C H5 1 7 C H5 1 1
70 1 1 1 1 7 C H1' 1 7 C H1' 1 1
70 1 2 1 1 7 C H2' 1 7 C H2' 1 1
71 1 1 1 1 7 C H1' 1 7 C H1' 1 1
71 1 2 1 1 7 C H3' 1 7 C H3' 1 1
72 1 1 1 1 7 C H2' 1 7 C H2' 1 1
72 1 2 1 1 8 C H1' 1 8 C3' H1' 1 1
73 1 1 1 1 7 C H2' 1 7 C H2' 1 1
73 1 2 1 1 8 C H5 1 8 C3' H5 1 1
74 1 1 1 1 7 C H2' 1 7 C H2' 1 1
74 1 2 1 1 8 C H6 1 8 C3' H6 1 1
75 1 1 1 1 7 C H3' 1 7 C H3' 1 1
75 1 2 1 1 7 C H5 1 7 C H5 1 1
76 1 1 1 1 7 C H3' 1 7 C H3' 1 1
76 1 2 1 1 7 C H6 1 7 C H6 1 1
77 1 1 1 1 7 C H3' 1 7 C H3' 1 1
77 1 2 1 1 8 C H5 1 8 C3' H5 1 1
78 1 1 1 1 7 C H5 1 7 C H5 1 1
78 1 2 1 1 7 C H6 1 7 C H6 1 1
79 1 1 1 1 7 C H5 1 7 C H5 1 1
79 1 2 1 1 8 C H5 1 8 C3' H5 1 1
80 1 1 1 1 8 C H1' 1 8 C3' H1' 1 1
80 1 2 1 1 8 C H2' 1 8 C3' H2' 1 1
81 1 1 1 1 8 C H1' 1 8 C3' H1' 1 1
81 1 2 1 1 8 C H4' 1 8 C3' H4' 1 1
82 1 1 1 1 8 C H1' 1 8 C3' H1' 1 1
82 1 2 1 1 8 C H5' 1 8 C3' H5'1 1 1
83 1 1 1 1 8 C H1' 1 8 C3' H1' 1 1
83 1 2 1 1 8 C H6 1 8 C3' H6 1 1
84 1 1 1 1 8 C H2' 1 8 C3' H2' 1 1
84 1 2 1 1 8 C H6 1 8 C3' H6 1 1
85 1 1 1 1 8 C H3' 1 8 C3' H3' 1 1
85 1 2 1 1 8 C H6 1 8 C3' H6 1 1
86 1 1 1 1 8 C H5 1 8 C3' H5 1 1
86 1 2 1 1 8 C H6 1 8 C3' H6 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 1.833 3.404 1 1
2 1 . . . . . . 2.228 4.137 1 1
3 1 . . . . . . 2.3 4.271 1 1
4 1 . . . . . . 2.245 4.169 1 1
5 1 . . . . . . 2.411 4.478 1 1
6 1 . . . . . . 2.841 5.276 1 1
7 1 . . . . . . 1.659 3.081 1 1
8 1 . . . . . . 1.99 3.697 1 1
9 1 . . . . . . 1.716 6.0 1 1
10 1 . . . . . . 2.202 4.09 1 1
11 1 . . . . . . 1.697 3.151 1 1
12 1 . . . . . . 1.6 4.043 1 1
13 1 . . . . . . 3.013 5.595 1 1
14 1 . . . . . . 2.372 4.406 1 1
15 1 . . . . . . 1.716 6.0 1 1
16 1 . . . . . . 2.178 6.0 1 1
17 1 . . . . . . 1.497 4.5 1 1
18 1 . . . . . . 1.873 3.479 1 1
19 1 . . . . . . 1.6 4.395 1 1
20 1 . . . . . . 2.304 4.279 1 1
21 1 . . . . . . 3.048 5.661 1 1
22 1 . . . . . . 1.75 3.25 1 1
23 1 . . . . . . 2.04 3.789 1 1
24 1 . . . . . . 2.17 4.029 1 1
25 1 . . . . . . 2.401 4.458 1 1
26 1 . . . . . . 2.873 5.335 1 1
27 1 . . . . . . 2.663 4.946 1 1
28 1 . . . . . . 1.6 6.0 1 1
29 1 . . . . . . 2.138 3.971 1 1
30 1 . . . . . . 1.84 3.418 1 1
31 1 . . . . . . 2.178 6.0 1 1
32 1 . . . . . . 1.497 6.0 1 1
33 1 . . . . . . 2.007 3.727 1 1
34 1 . . . . . . 1.7 3.157 1 1
35 1 . . . . . . 1.6 4.181 1 1
36 1 . . . . . . 2.088 3.877 1 1
37 1 . . . . . . 2.027 3.764 1 1
38 1 . . . . . . 2.328 4.323 1 1
39 1 . . . . . . 2.658 4.936 1 1
40 1 . . . . . . 1.6 6.0 1 1
41 1 . . . . . . 1.6 6.0 1 1
42 1 . . . . . . 1.829 6.0 1 1
43 1 . . . . . . 2.165 4.022 1 1
44 1 . . . . . . 1.793 3.33 1 1
45 1 . . . . . . 2.189 4.065 1 1
46 1 . . . . . . 1.829 4.5 1 1
47 1 . . . . . . 2.533 4.705 1 1
48 1 . . . . . . 1.777 3.3 1 1
49 1 . . . . . . 2.284 4.241 1 1
50 1 . . . . . . 2.15 3.994 1 1
51 1 . . . . . . 2.188 4.063 1 1
52 1 . . . . . . 2.238 4.156 1 1
53 1 . . . . . . 1.796 3.336 1 1
54 1 . . . . . . 1.6 6.0 1 1
55 1 . . . . . . 1.794 6.0 1 1
56 1 . . . . . . 1.78 3.305 1 1
57 1 . . . . . . 1.6 6.0 1 1
58 1 . . . . . . 1.6 6.0 1 1
59 1 . . . . . . 2.015 3.742 1 1
60 1 . . . . . . 2.313 4.296 1 1
61 1 . . . . . . 1.794 6.0 1 1
62 1 . . . . . . 2.544 4.725 1 1
63 1 . . . . . . 2.126 6.0 1 1
64 1 . . . . . . 1.6 6.0 1 1
65 1 . . . . . . 1.794 6.0 1 1
66 1 . . . . . . 2.126 6.0 1 1
67 1 . . . . . . 1.6 6.0 1 1
68 1 . . . . . . 2.293 4.258 1 1
69 1 . . . . . . 2.387 4.433 1 1
70 1 . . . . . . 1.714 4.5 1 1
71 1 . . . . . . 1.891 4.5 1 1
72 1 . . . . . . 2.463 6.0 1 1
73 1 . . . . . . 2.0 6.0 1 1
74 1 . . . . . . 1.696 3.15 1 1
75 1 . . . . . . 2.532 4.703 1 1
76 1 . . . . . . 1.659 3.08 1 1
77 1 . . . . . . 2.0 6.0 1 1
78 1 . . . . . . 1.677 3.114 1 1
79 1 . . . . . . 2.669 4.957 1 1
80 1 . . . . . . 1.71 3.176 1 1
81 1 . . . . . . 2.463 6.0 1 1
82 1 . . . . . . 2.592 4.814 1 1
83 1 . . . . . . 2.295 4.262 1 1
84 1 . . . . . . 1.924 3.572 1 1
85 1 . . . . . . 1.661 3.084 1 1
86 1 . . . . . . 1.583 2.94 1 1
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 G P 1 1 4 G O5' 1 1 4 G C5' -150.0 150.0 1 3 C O3' 1 4 G P 1 4 G O5' 1 4 G C5' 1 1
4 . 1 1 4 G O3' 1 1 5 U P 1 1 5 U O5' 1 1 5 U C5' -150.0 150.0 1 4 G O3' 1 5 U P 1 5 U O5' 1 5 U C5' 1 1
5 . 1 1 5 U O3' 1 1 6 G P 1 1 6 G O5' 1 1 6 G C5' -150.0 150.0 1 5 U 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 C3' P 1 8 C3' O5' 1 8 C3' C5' 1 1
8 . 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
9 . 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
10 . 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 4 G P 1 4 G O5' 1 4 G C5' 1 4 G C4' 1 1
11 . 1 1 5 U P 1 1 5 U O5' 1 1 5 U C5' 1 1 5 U C4' 150.0 210.0 1 5 U P 1 5 U O5' 1 5 U C5' 1 5 U C4' 1 1
12 . 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
13 . 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
14 . 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 C3' P 1 8 C3' O5' 1 8 C3' C5' 1 8 C3' C4' 1 1
15 . 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
16 . 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
17 . 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
18 . 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 4 G O5' 1 4 G C5' 1 4 G C4' 1 4 G C3' 1 1
19 . 1 1 5 U O5' 1 1 5 U C5' 1 1 5 U C4' 1 1 5 U C3' 30.0 89.99999 1 5 U O5' 1 5 U C5' 1 5 U C4' 1 5 U C3' 1 1
20 . 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
21 . 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
22 . 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
23 . 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
24 . 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 4 G C5' 1 4 G C4' 1 4 G C3' 1 4 G O3' 1 1
25 . 1 1 5 U C5' 1 1 5 U C4' 1 1 5 U C3' 1 1 5 U O3' 70.0 110.0 1 5 U C5' 1 5 U C4' 1 5 U C3' 1 5 U O3' 1 1
26 . 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
27 . 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
28 . 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 C3' C5' 1 8 C3' C4' 1 8 C3' C3' 1 8 C3' O3' 1 1
29 . 1 1 1 G C4' 1 1 1 G C3' 1 1 1 G O3' 1 1 2 G P -160.0 -100.0 1 1 G5' C4' 1 1 G5' C3' 1 1 G5' O3' 1 2 G P 1 1
30 . 1 1 2 G C4' 1 1 2 G C3' 1 1 2 G O3' 1 1 3 C P -160.0 -100.0 1 2 G C4' 1 2 G C3' 1 2 G O3' 1 3 C P 1 1
31 . 1 1 3 C C4' 1 1 3 C C3' 1 1 3 C O3' 1 1 4 G P -160.0 -100.0 1 3 C C4' 1 3 C C3' 1 3 C O3' 1 4 G P 1 1
32 . 1 1 4 G C4' 1 1 4 G C3' 1 1 4 G O3' 1 1 5 U P -160.0 -100.0 1 4 G C4' 1 4 G C3' 1 4 G O3' 1 5 U P 1 1
33 . 1 1 5 U C4' 1 1 5 U C3' 1 1 5 U O3' 1 1 6 G P -160.0 -100.0 1 5 U C4' 1 5 U C3' 1 5 U O3' 1 6 G P 1 1
34 . 1 1 6 G C4' 1 1 6 G C3' 1 1 6 G O3' 1 1 7 C P -160.0 -100.0 1 6 G C4' 1 6 G C3' 1 6 G O3' 1 7 C P 1 1
35 . 1 1 7 C C4' 1 1 7 C C3' 1 1 7 C O3' 1 1 8 C P -160.0 -100.0 1 7 C C4' 1 7 C C3' 1 7 C O3' 1 8 C3' P 1 1
36 . 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
37 . 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
38 . 1 1 3 C C3' 1 1 3 C O3' 1 1 4 G P 1 1 4 G O5' -150.0 150.0 1 3 C C3' 1 3 C O3' 1 4 G P 1 4 G O5' 1 1
39 . 1 1 4 G C3' 1 1 4 G O3' 1 1 5 U P 1 1 5 U O5' -150.0 150.0 1 4 G C3' 1 4 G O3' 1 5 U P 1 5 U O5' 1 1
40 . 1 1 5 U C3' 1 1 5 U O3' 1 1 6 G P 1 1 6 G O5' -150.0 150.0 1 5 U C3' 1 5 U O3' 1 6 G P 1 6 G O5' 1 1
41 . 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
42 . 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 C3' P 1 8 C3' O5' 1 1
43 . 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
44 . 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
45 . 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
46 . 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 4 G O4' 1 4 G C1' 1 4 G N9 1 4 G C4 1 1
47 . 1 1 5 U O4' 1 1 5 U C1' 1 1 5 U N1 1 1 5 U C2 150.0 210.0 1 5 U O4' 1 5 U C1' 1 5 U N1 1 5 U C2 1 1
48 . 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
49 . 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
50 . 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 C3' O4' 1 8 C3' C1' 1 8 C3' N1 1 8 C3' 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 -7.143 -13.147 -0.898 1.00 . A A . 1 G C1' 1 1
1 2 1 1 1 G C2 C -3.956 -12.656 2.070 1.00 . A A . 1 G C2 1 1
1 3 1 1 1 G C2' C -8.050 -12.145 -0.180 1.00 . A A . 1 G C2' 1 1
1 4 1 1 1 G C3' C -8.583 -11.343 -1.361 1.00 . A A . 1 G C3' 1 1
1 5 1 1 1 G C4 C -4.845 -12.518 -0.001 1.00 . A A . 1 G C4 1 1
1 6 1 1 1 G C4' C -8.771 -12.453 -2.393 1.00 . A A . 1 G C4' 1 1
1 7 1 1 1 G C5 C -3.691 -12.017 -0.563 1.00 . A A . 1 G C5 1 1
1 8 1 1 1 G C5' C -8.860 -11.951 -3.842 1.00 . A A . 1 G C5' 1 1
1 9 1 1 1 G C6 C -2.537 -11.823 0.265 1.00 . A A . 1 G C6 1 1
1 10 1 1 1 G C8 C -5.112 -12.155 -2.138 1.00 . A A . 1 G C8 1 1
1 11 1 1 1 G H1 H -1.986 -12.051 2.230 1.00 . A A . 1 G H1 1 1
1 12 1 1 1 G H1' H -7.115 -14.081 -0.335 1.00 . A A . 1 G H1' 1 1
1 13 1 1 1 G H2' H -7.500 -11.513 0.517 1.00 . A A . 1 G H2' 1 1
1 14 1 1 1 G H21 H -3.210 -12.772 3.965 1.00 . A A . 1 G H21 1 1
1 15 1 1 1 G H22 H -4.883 -13.284 3.739 1.00 . A A . 1 G H22 1 1
1 16 1 1 1 G H3' H -7.808 -10.653 -1.697 1.00 . A A . 1 G H3' 1 1
1 17 1 1 1 G H4' H -9.695 -12.982 -2.156 1.00 . A A . 1 G H4' 1 1
1 18 1 1 1 G H5' H -8.846 -12.809 -4.515 1.00 . A A . 1 G H5' 1 1
1 19 1 1 1 G H5'' H -9.805 -11.422 -3.973 1.00 . A A . 1 G H5'' 1 1
1 20 1 1 1 G H8 H -5.576 -12.106 -3.112 1.00 . A A . 1 G H8 1 1
1 21 1 1 1 G HO2' H -9.809 -12.218 0.617 1.00 . A A . 1 G HO2' 1 1
1 22 1 1 1 G HO5' H -7.920 -10.245 -3.707 1.00 . A A . 1 G HO5' 1 1
1 23 1 1 1 G N1 N -2.762 -12.171 1.592 1.00 . A A . 1 G N1 1 1
1 24 1 1 1 G N2 N -4.017 -12.933 3.366 1.00 . A A . 1 G N2 1 1
1 25 1 1 1 G N3 N -5.040 -12.859 1.307 1.00 . A A . 1 G N3 1 1
1 26 1 1 1 G N7 N -3.877 -11.795 -1.927 1.00 . A A . 1 G N7 1 1
1 27 1 1 1 G N9 N -5.764 -12.616 -1.020 1.00 . A A . 1 G N9 1 1
1 28 1 1 1 G O2' O -9.087 -12.842 0.488 1.00 . A A . 1 G O2' 1 1
1 29 1 1 1 G O3' O -9.792 -10.665 -1.078 1.00 . A A . 1 G O3' 1 1
1 30 1 1 1 G O4' O -7.694 -13.358 -2.195 1.00 . A A . 1 G O4' 1 1
1 31 1 1 1 G O5' O -7.801 -11.075 -4.182 1.00 . A A . 1 G O5' 1 1
1 32 1 1 1 G O6 O -1.422 -11.414 -0.051 1.00 . A A . 1 G O6 1 1
1 33 1 1 2 G C1' C -6.649 -10.093 3.645 1.00 . A A . 2 G C1' 1 1
1 34 1 1 2 G C2 C -2.445 -9.320 4.466 1.00 . A A . 2 G C2 1 1
1 35 1 1 2 G C2' C -7.171 -8.941 4.499 1.00 . A A . 2 G C2' 1 1
1 36 1 1 2 G C3' C -8.379 -8.462 3.698 1.00 . A A . 2 G C3' 1 1
1 37 1 1 2 G C4 C -4.263 -9.416 3.132 1.00 . A A . 2 G C4 1 1
1 38 1 1 2 G C4' C -8.899 -9.802 3.181 1.00 . A A . 2 G C4' 1 1
1 39 1 1 2 G C5 C -3.583 -8.990 2.012 1.00 . A A . 2 G C5 1 1
1 40 1 1 2 G C5' C -9.808 -9.676 1.956 1.00 . A A . 2 G C5' 1 1
1 41 1 1 2 G C6 C -2.176 -8.717 2.113 1.00 . A A . 2 G C6 1 1
1 42 1 1 2 G C8 C -5.610 -9.278 1.419 1.00 . A A . 2 G C8 1 1
1 43 1 1 2 G H1 H -0.704 -8.698 3.545 1.00 . A A . 2 G H1 1 1
1 44 1 1 2 G H1' H -6.240 -10.863 4.299 1.00 . A A . 2 G H1' 1 1
1 45 1 1 2 G H2' H -6.432 -8.151 4.618 1.00 . A A . 2 G H2' 1 1
1 46 1 1 2 G H21 H -0.867 -9.140 5.747 1.00 . A A . 2 G H21 1 1
1 47 1 1 2 G H22 H -2.387 -9.713 6.433 1.00 . A A . 2 G H22 1 1
1 48 1 1 2 G H3' H -8.055 -7.843 2.859 1.00 . A A . 2 G H3' 1 1
1 49 1 1 2 G H4' H -9.468 -10.271 3.985 1.00 . A A . 2 G H4' 1 1
1 50 1 1 2 G H5' H -10.223 -10.657 1.727 1.00 . A A . 2 G H5' 1 1
1 51 1 1 2 G H5'' H -10.630 -8.996 2.187 1.00 . A A . 2 G H5'' 1 1
1 52 1 1 2 G H8 H -6.514 -9.318 0.829 1.00 . A A . 2 G H8 1 1
1 53 1 1 2 G HO2' H -8.181 -8.824 6.138 1.00 . A A . 2 G HO2' 1 1
1 54 1 1 2 G N1 N -1.684 -8.902 3.401 1.00 . A A . 2 G N1 1 1
1 55 1 1 2 G N2 N -1.843 -9.409 5.644 1.00 . A A . 2 G N2 1 1
1 56 1 1 2 G N3 N -3.751 -9.604 4.383 1.00 . A A . 2 G N3 1 1
1 57 1 1 2 G N7 N -4.458 -8.910 0.929 1.00 . A A . 2 G N7 1 1
1 58 1 1 2 G N9 N -5.567 -9.623 2.748 1.00 . A A . 2 G N9 1 1
1 59 1 1 2 G O2' O -7.557 -9.453 5.762 1.00 . A A . 2 G O2' 1 1
1 60 1 1 2 G O3' O -9.327 -7.791 4.514 1.00 . A A . 2 G O3' 1 1
1 61 1 1 2 G O4' O -7.758 -10.610 2.919 1.00 . A A . 2 G O4' 1 1
1 62 1 1 2 G O5' O -9.098 -9.191 0.832 1.00 . A A . 2 G O5' 1 1
1 63 1 1 2 G O6 O -1.391 -8.354 1.240 1.00 . A A . 2 G O6 1 1
1 64 1 1 2 G OP1 O -11.194 -8.694 -0.465 1.00 . A A . 2 G OP1 1 1
1 65 1 1 2 G OP2 O -8.887 -8.390 -1.541 1.00 . A A . 2 G OP2 1 1
1 66 1 1 2 G P P -9.788 -9.121 -0.623 1.00 . A A . 2 G P 1 1
1 67 1 1 3 C C1' C -4.224 -6.475 6.670 1.00 . A A . 3 C C1' 1 1
1 68 1 1 3 C C2 C -2.431 -5.998 5.031 1.00 . A A . 3 C C2 1 1
1 69 1 1 3 C C2' C -4.268 -5.201 7.511 1.00 . A A . 3 C C2' 1 1
1 70 1 1 3 C C3' C -5.742 -4.811 7.424 1.00 . A A . 3 C C3' 1 1
1 71 1 1 3 C C4 C -2.884 -5.454 2.803 1.00 . A A . 3 C C4 1 1
1 72 1 1 3 C C4' C -6.378 -6.200 7.495 1.00 . A A . 3 C C4' 1 1
1 73 1 1 3 C C5 C -4.295 -5.586 3.014 1.00 . A A . 3 C C5 1 1
1 74 1 1 3 C C5' C -7.826 -6.258 6.995 1.00 . A A . 3 C C5' 1 1
1 75 1 1 3 C C6 C -4.707 -5.925 4.261 1.00 . A A . 3 C C6 1 1
1 76 1 1 3 C H1' H -3.495 -7.160 7.105 1.00 . A A . 3 C H1' 1 1
1 77 1 1 3 C H2' H -3.619 -4.421 7.115 1.00 . A A . 3 C H2' 1 1
1 78 1 1 3 C H3' H -5.958 -4.357 6.455 1.00 . A A . 3 C H3' 1 1
1 79 1 1 3 C H4' H -6.363 -6.521 8.537 1.00 . A A . 3 C H4' 1 1
1 80 1 1 3 C H41 H -1.394 -5.035 1.524 1.00 . A A . 3 C H41 1 1
1 81 1 1 3 C H42 H -3.017 -4.935 0.843 1.00 . A A . 3 C H42 1 1
1 82 1 1 3 C H5 H -5.024 -5.417 2.237 1.00 . A A . 3 C H5 1 1
1 83 1 1 3 C H5' H -8.230 -7.248 7.207 1.00 . A A . 3 C H5' 1 1
1 84 1 1 3 C H5'' H -8.423 -5.517 7.528 1.00 . A A . 3 C H5'' 1 1
1 85 1 1 3 C H6 H -5.765 -6.012 4.452 1.00 . A A . 3 C H6 1 1
1 86 1 1 3 C HO2' H -4.283 -4.852 9.408 1.00 . A A . 3 C HO2' 1 1
1 87 1 1 3 C N1 N -3.802 -6.146 5.276 1.00 . A A . 3 C N1 1 1
1 88 1 1 3 C N3 N -2.007 -5.662 3.785 1.00 . A A . 3 C N3 1 1
1 89 1 1 3 C N4 N -2.400 -5.121 1.615 1.00 . A A . 3 C N4 1 1
1 90 1 1 3 C O2 O -1.599 -6.160 5.923 1.00 . A A . 3 C O2 1 1
1 91 1 1 3 C O2' O -3.894 -5.523 8.839 1.00 . A A . 3 C O2' 1 1
1 92 1 1 3 C O3' O -6.125 -3.964 8.495 1.00 . A A . 3 C O3' 1 1
1 93 1 1 3 C O4' O -5.520 -7.060 6.751 1.00 . A A . 3 C O4' 1 1
1 94 1 1 3 C O5' O -7.893 -6.008 5.605 1.00 . A A . 3 C O5' 1 1
1 95 1 1 3 C OP1 O -10.395 -5.829 5.636 1.00 . A A . 3 C OP1 1 1
1 96 1 1 3 C OP2 O -9.081 -5.535 3.457 1.00 . A A . 3 C OP2 1 1
1 97 1 1 3 C P P -9.256 -6.197 4.767 1.00 . A A . 3 C P 1 1
1 98 1 1 4 G C1' C -0.777 -2.407 7.157 1.00 . A A . 4 G C1' 1 1
1 99 1 1 4 G C2 C 1.323 -1.437 3.464 1.00 . A A . 4 G C2 1 1
1 100 1 1 4 G C2' C -0.427 -1.044 7.747 1.00 . A A . 4 G C2' 1 1
1 101 1 1 4 G C3' C -1.686 -0.691 8.533 1.00 . A A . 4 G C3' 1 1
1 102 1 1 4 G C4 C -0.503 -1.975 4.675 1.00 . A A . 4 G C4 1 1
1 103 1 1 4 G C4' C -2.085 -2.075 9.043 1.00 . A A . 4 G C4' 1 1
1 104 1 1 4 G C5 C -1.334 -2.024 3.577 1.00 . A A . 4 G C5 1 1
1 105 1 1 4 G C5' C -3.563 -2.182 9.431 1.00 . A A . 4 G C5' 1 1
1 106 1 1 4 G C6 C -0.780 -1.783 2.273 1.00 . A A . 4 G C6 1 1
1 107 1 1 4 G C8 C -2.557 -2.404 5.280 1.00 . A A . 4 G C8 1 1
1 108 1 1 4 G H1 H 1.044 -1.306 1.434 1.00 . A A . 4 G H1 1 1
1 109 1 1 4 G H1' H 0.122 -3.019 7.129 1.00 . A A . 4 G H1' 1 1
1 110 1 1 4 G H2' H -0.214 -0.303 6.979 1.00 . A A . 4 G H2' 1 1
1 111 1 1 4 G H21 H 2.975 -0.929 2.405 1.00 . A A . 4 G H21 1 1
1 112 1 1 4 G H22 H 3.171 -1.047 4.157 1.00 . A A . 4 G H22 1 1
1 113 1 1 4 G H3' H -2.457 -0.303 7.866 1.00 . A A . 4 G H3' 1 1
1 114 1 1 4 G H4' H -1.479 -2.293 9.923 1.00 . A A . 4 G H4' 1 1
1 115 1 1 4 G H5' H -3.722 -3.132 9.937 1.00 . A A . 4 G H5' 1 1
1 116 1 1 4 G H5'' H -3.814 -1.374 10.120 1.00 . A A . 4 G H5'' 1 1
1 117 1 1 4 G H8 H -3.413 -2.600 5.910 1.00 . A A . 4 G H8 1 1
1 118 1 1 4 G HO2' H 0.602 -0.530 9.295 1.00 . A A . 4 G HO2' 1 1
1 119 1 1 4 G N1 N 0.581 -1.498 2.310 1.00 . A A . 4 G N1 1 1
1 120 1 1 4 G N2 N 2.598 -1.095 3.331 1.00 . A A . 4 G N2 1 1
1 121 1 1 4 G N3 N 0.831 -1.686 4.683 1.00 . A A . 4 G N3 1 1
1 122 1 1 4 G N7 N -2.642 -2.286 3.984 1.00 . A A . 4 G N7 1 1
1 123 1 1 4 G N9 N -1.282 -2.270 5.770 1.00 . A A . 4 G N9 1 1
1 124 1 1 4 G O2' O 0.687 -1.201 8.609 1.00 . A A . 4 G O2' 1 1
1 125 1 1 4 G O3' O -1.390 0.210 9.589 1.00 . A A . 4 G O3' 1 1
1 126 1 1 4 G O4' O -1.733 -3.003 8.024 1.00 . A A . 4 G O4' 1 1
1 127 1 1 4 G O5' O -4.397 -2.111 8.291 1.00 . A A . 4 G O5' 1 1
1 128 1 1 4 G O6 O -1.342 -1.778 1.181 1.00 . A A . 4 G O6 1 1
1 129 1 1 4 G OP1 O -6.469 -1.785 9.670 1.00 . A A . 4 G OP1 1 1
1 130 1 1 4 G OP2 O -6.598 -1.927 7.117 1.00 . A A . 4 G OP2 1 1
1 131 1 1 4 G P P -5.989 -2.357 8.392 1.00 . A A . 4 G P 1 1
1 132 1 1 5 U C1' C 1.279 2.024 4.753 1.00 . A A . 5 U C1' 1 1
1 133 1 1 5 U C2 C -0.050 1.690 2.689 1.00 . A A . 5 U C2 1 1
1 134 1 1 5 U C2' C 1.501 3.530 4.881 1.00 . A A . 5 U C2' 1 1
1 135 1 1 5 U C3' C 1.156 3.795 6.341 1.00 . A A . 5 U C3' 1 1
1 136 1 1 5 U C4 C -2.488 1.317 2.753 1.00 . A A . 5 U C4 1 1
1 137 1 1 5 U C4' C 1.601 2.498 7.010 1.00 . A A . 5 U C4' 1 1
1 138 1 1 5 U C5 C -2.379 1.358 4.198 1.00 . A A . 5 U C5 1 1
1 139 1 1 5 U C5' C 0.902 2.239 8.351 1.00 . A A . 5 U C5' 1 1
1 140 1 1 5 U C6 C -1.187 1.563 4.814 1.00 . A A . 5 U C6 1 1
1 141 1 1 5 U H1' H 2.082 1.622 4.135 1.00 . A A . 5 U H1' 1 1
1 142 1 1 5 U H2' H 0.840 4.093 4.222 1.00 . A A . 5 U H2' 1 1
1 143 1 1 5 U H3 H -1.321 1.444 1.082 1.00 . A A . 5 U H3 1 1
1 144 1 1 5 U H3' H 0.074 3.893 6.442 1.00 . A A . 5 U H3' 1 1
1 145 1 1 5 U H4' H 2.675 2.564 7.184 1.00 . A A . 5 U H4' 1 1
1 146 1 1 5 U H5 H -3.274 1.226 4.788 1.00 . A A . 5 U H5 1 1
1 147 1 1 5 U H5' H 1.300 1.325 8.789 1.00 . A A . 5 U H5' 1 1
1 148 1 1 5 U H5'' H 1.111 3.071 9.026 1.00 . A A . 5 U H5'' 1 1
1 149 1 1 5 U H6 H -1.157 1.594 5.892 1.00 . A A . 5 U H6 1 1
1 150 1 1 5 U HO2' H 3.040 4.718 4.873 1.00 . A A . 5 U HO2' 1 1
1 151 1 1 5 U N1 N -0.025 1.729 4.089 1.00 . A A . 5 U N1 1 1
1 152 1 1 5 U N3 N -1.285 1.489 2.088 1.00 . A A . 5 U N3 1 1
1 153 1 1 5 U O2 O 0.957 1.816 1.994 1.00 . A A . 5 U O2 1 1
1 154 1 1 5 U O2' O 2.861 3.811 4.598 1.00 . A A . 5 U O2' 1 1
1 155 1 1 5 U O3' O 1.818 4.927 6.880 1.00 . A A . 5 U O3' 1 1
1 156 1 1 5 U O4 O -3.524 1.157 2.118 1.00 . A A . 5 U O4 1 1
1 157 1 1 5 U O4' O 1.373 1.462 6.061 1.00 . A A . 5 U O4' 1 1
1 158 1 1 5 U O5' O -0.497 2.121 8.173 1.00 . A A . 5 U O5' 1 1
1 159 1 1 5 U OP1 O -0.969 2.447 10.617 1.00 . A A . 5 U OP1 1 1
1 160 1 1 5 U OP2 O -2.874 2.112 8.940 1.00 . A A . 5 U OP2 1 1
1 161 1 1 5 U P P -1.502 1.807 9.395 1.00 . A A . 5 U P 1 1
1 162 1 1 6 G C1' C 4.285 6.606 2.119 1.00 . A A . 6 G C1' 1 1
1 163 1 1 6 G C2 C 3.012 6.302 -2.039 1.00 . A A . 6 G C2 1 1
1 164 1 1 6 G C2' C 4.422 8.124 2.077 1.00 . A A . 6 G C2' 1 1
1 165 1 1 6 G C3' C 3.881 8.534 3.444 1.00 . A A . 6 G C3' 1 1
1 166 1 1 6 G C4 C 2.716 6.119 0.188 1.00 . A A . 6 G C4 1 1
1 167 1 1 6 G C4' C 4.419 7.384 4.299 1.00 . A A . 6 G C4' 1 1
1 168 1 1 6 G C5 C 1.439 5.612 0.073 1.00 . A A . 6 G C5 1 1
1 169 1 1 6 G C5' C 3.658 7.168 5.610 1.00 . A A . 6 G C5' 1 1
1 170 1 1 6 G C6 C 0.890 5.395 -1.234 1.00 . A A . 6 G C6 1 1
1 171 1 1 6 G C8 C 1.844 5.756 2.151 1.00 . A A . 6 G C8 1 1
1 172 1 1 6 G H1 H 1.412 5.683 -3.195 1.00 . A A . 6 G H1 1 1
1 173 1 1 6 G H1' H 5.093 6.159 1.537 1.00 . A A . 6 G H1' 1 1
1 174 1 1 6 G H2' H 3.848 8.569 1.266 1.00 . A A . 6 G H2' 1 1
1 175 1 1 6 G H21 H 3.285 6.599 -4.032 1.00 . A A . 6 G H21 1 1
1 176 1 1 6 G H22 H 4.619 7.065 -2.973 1.00 . A A . 6 G H22 1 1
1 177 1 1 6 G H3' H 2.790 8.513 3.440 1.00 . A A . 6 G H3' 1 1
1 178 1 1 6 G H4' H 5.461 7.603 4.537 1.00 . A A . 6 G H4' 1 1
1 179 1 1 6 G H5' H 4.141 6.365 6.169 1.00 . A A . 6 G H5' 1 1
1 180 1 1 6 G H5'' H 3.699 8.083 6.201 1.00 . A A . 6 G H5'' 1 1
1 181 1 1 6 G H8 H 1.742 5.711 3.223 1.00 . A A . 6 G H8 1 1
1 182 1 1 6 G HO2' H 5.912 9.319 2.340 1.00 . A A . 6 G HO2' 1 1
1 183 1 1 6 G N1 N 1.754 5.787 -2.249 1.00 . A A . 6 G N1 1 1
1 184 1 1 6 G N2 N 3.701 6.675 -3.108 1.00 . A A . 6 G N2 1 1
1 185 1 1 6 G N3 N 3.553 6.480 -0.827 1.00 . A A . 6 G N3 1 1
1 186 1 1 6 G N7 N 0.895 5.390 1.336 1.00 . A A . 6 G N7 1 1
1 187 1 1 6 G N9 N 2.993 6.179 1.532 1.00 . A A . 6 G N9 1 1
1 188 1 1 6 G O2' O 5.795 8.449 1.947 1.00 . A A . 6 G O2' 1 1
1 189 1 1 6 G O3' O 4.382 9.800 3.848 1.00 . A A . 6 G O3' 1 1
1 190 1 1 6 G O4' O 4.391 6.218 3.483 1.00 . A A . 6 G O4' 1 1
1 191 1 1 6 G O5' O 2.306 6.825 5.369 1.00 . A A . 6 G O5' 1 1
1 192 1 1 6 G O6 O -0.203 4.925 -1.539 1.00 . A A . 6 G O6 1 1
1 193 1 1 6 G OP1 O 1.643 7.273 7.752 1.00 . A A . 6 G OP1 1 1
1 194 1 1 6 G OP2 O -0.061 6.385 6.051 1.00 . A A . 6 G OP2 1 1
1 195 1 1 6 G P P 1.318 6.430 6.581 1.00 . A A . 6 G P 1 1
1 196 1 1 7 C C1' C 3.594 10.301 -1.870 1.00 . A A . 7 C C1' 1 1
1 197 1 1 7 C C2 C 1.507 9.313 -2.779 1.00 . A A . 7 C C2 1 1
1 198 1 1 7 C C2' C 3.510 11.780 -2.246 1.00 . A A . 7 C C2' 1 1
1 199 1 1 7 C C3' C 3.785 12.478 -0.917 1.00 . A A . 7 C C3' 1 1
1 200 1 1 7 C C4 C -0.207 8.534 -1.390 1.00 . A A . 7 C C4 1 1
1 201 1 1 7 C C4' C 4.818 11.525 -0.318 1.00 . A A . 7 C C4' 1 1
1 202 1 1 7 C C5 C 0.485 8.980 -0.217 1.00 . A A . 7 C C5 1 1
1 203 1 1 7 C C5' C 4.952 11.654 1.204 1.00 . A A . 7 C C5' 1 1
1 204 1 1 7 C C6 C 1.694 9.571 -0.394 1.00 . A A . 7 C C6 1 1
1 205 1 1 7 C H1' H 4.070 9.763 -2.692 1.00 . A A . 7 C H1' 1 1
1 206 1 1 7 C H2' H 2.535 12.051 -2.646 1.00 . A A . 7 C H2' 1 1
1 207 1 1 7 C H3' H 2.886 12.479 -0.300 1.00 . A A . 7 C H3' 1 1
1 208 1 1 7 C H4' H 5.784 11.748 -0.771 1.00 . A A . 7 C H4' 1 1
1 209 1 1 7 C H41 H -1.817 7.588 -2.143 1.00 . A A . 7 C H41 1 1
1 210 1 1 7 C H42 H -1.760 7.695 -0.387 1.00 . A A . 7 C H42 1 1
1 211 1 1 7 C H5 H 0.093 8.858 0.781 1.00 . A A . 7 C H5 1 1
1 212 1 1 7 C H5' H 5.784 11.039 1.540 1.00 . A A . 7 C H5' 1 1
1 213 1 1 7 C H5'' H 5.162 12.694 1.458 1.00 . A A . 7 C H5'' 1 1
1 214 1 1 7 C H6 H 2.237 9.916 0.472 1.00 . A A . 7 C H6 1 1
1 215 1 1 7 C HO2' H 4.730 12.998 -3.109 1.00 . A A . 7 C HO2' 1 1
1 216 1 1 7 C N1 N 2.236 9.719 -1.652 1.00 . A A . 7 C N1 1 1
1 217 1 1 7 C N3 N 0.295 8.717 -2.612 1.00 . A A . 7 C N3 1 1
1 218 1 1 7 C N4 N -1.376 7.918 -1.290 1.00 . A A . 7 C N4 1 1
1 219 1 1 7 C O2 O 1.937 9.489 -3.917 1.00 . A A . 7 C O2 1 1
1 220 1 1 7 C O2' O 4.524 12.062 -3.192 1.00 . A A . 7 C O2' 1 1
1 221 1 1 7 C O3' O 4.299 13.791 -1.097 1.00 . A A . 7 C O3' 1 1
1 222 1 1 7 C O4' O 4.432 10.214 -0.720 1.00 . A A . 7 C O4' 1 1
1 223 1 1 7 C O5' O 3.761 11.242 1.848 1.00 . A A . 7 C O5' 1 1
1 224 1 1 7 C OP1 O 4.410 12.294 4.030 1.00 . A A . 7 C OP1 1 1
1 225 1 1 7 C OP2 O 2.199 11.027 3.782 1.00 . A A . 7 C OP2 1 1
1 226 1 1 7 C P P 3.632 11.176 3.453 1.00 . A A . 7 C P 1 1
1 227 1 1 8 C C1' C 0.806 13.341 -5.786 1.00 . A A . 8 C C1' 1 1
1 228 1 1 8 C C2 C -1.116 11.793 -5.497 1.00 . A A . 8 C C2 1 1
1 229 1 1 8 C C2' C 0.252 14.749 -6.031 1.00 . A A . 8 C C2' 1 1
1 230 1 1 8 C C3' C 1.064 15.587 -5.048 1.00 . A A . 8 C C3' 1 1
1 231 1 1 8 C C4 C -1.890 11.172 -3.377 1.00 . A A . 8 C C4 1 1
1 232 1 1 8 C C4' C 2.412 14.867 -5.114 1.00 . A A . 8 C C4' 1 1
1 233 1 1 8 C C5 C -0.883 11.960 -2.730 1.00 . A A . 8 C C5 1 1
1 234 1 1 8 C C5' C 3.321 15.165 -3.918 1.00 . A A . 8 C C5' 1 1
1 235 1 1 8 C C6 C -0.022 12.640 -3.527 1.00 . A A . 8 C C6 1 1
1 236 1 1 8 C H1' H 0.902 12.830 -6.746 1.00 . A A . 8 C H1' 1 1
1 237 1 1 8 C H2' H -0.817 14.818 -5.822 1.00 . A A . 8 C H2' 1 1
1 238 1 1 8 C H3' H 0.628 15.487 -4.052 1.00 . A A . 8 C H3' 1 1
1 239 1 1 8 C H4' H 2.922 15.164 -6.031 1.00 . A A . 8 C H4' 1 1
1 240 1 1 8 C H41 H -3.488 9.965 -3.159 1.00 . A A . 8 C H41 1 1
1 241 1 1 8 C H42 H -2.721 10.478 -1.659 1.00 . A A . 8 C H42 1 1
1 242 1 1 8 C H5 H -0.793 12.036 -1.657 1.00 . A A . 8 C H5 1 1
1 243 1 1 8 C H5' H 4.242 14.589 -4.010 1.00 . A A . 8 C H5' 1 1
1 244 1 1 8 C H5'' H 3.570 16.227 -3.916 1.00 . A A . 8 C H5'' 1 1
1 245 1 1 8 C H6 H 0.738 13.256 -3.070 1.00 . A A . 8 C H6 1 1
1 246 1 1 8 C HO2' H 0.567 16.093 -7.379 1.00 . A A . 8 C HO2' 1 1
1 247 1 1 8 C HO3' H 1.574 17.436 -4.718 1.00 . A A . 8 C HO3' 1 1
1 248 1 1 8 C N1 N -0.103 12.556 -4.900 1.00 . A A . 8 C N1 1 1
1 249 1 1 8 C N3 N -1.991 11.115 -4.705 1.00 . A A . 8 C N3 1 1
1 250 1 1 8 C N4 N -2.778 10.496 -2.663 1.00 . A A . 8 C N4 1 1
1 251 1 1 8 C O2 O -1.244 11.737 -6.719 1.00 . A A . 8 C O2 1 1
1 252 1 1 8 C O2' O 0.517 15.131 -7.368 1.00 . A A . 8 C O2' 1 1
1 253 1 1 8 C O3' O 1.127 16.954 -5.419 1.00 . A A . 8 C O3' 1 1
1 254 1 1 8 C O4' O 2.099 13.484 -5.206 1.00 . A A . 8 C O4' 1 1
1 255 1 1 8 C O5' O 2.656 14.833 -2.714 1.00 . A A . 8 C O5' 1 1
1 256 1 1 8 C OP1 O 4.168 16.282 -1.346 1.00 . A A . 8 C OP1 1 1
1 257 1 1 8 C OP2 O 2.251 14.978 -0.260 1.00 . A A . 8 C OP2 1 1
1 258 1 1 8 C P P 3.327 15.068 -1.269 1.00 . A A . 8 C P 1 1
1 259 2 1 1 G C1' C -8.183 8.547 -9.238 1.00 . B B . 1 G C1' 1 1
1 260 2 1 1 G C2 C -4.426 10.117 -7.610 1.00 . B B . 1 G C2 1 1
1 261 2 1 1 G C2' C -7.441 7.529 -10.107 1.00 . B B . 1 G C2' 1 1
1 262 2 1 1 G C3' C -8.292 6.287 -9.879 1.00 . B B . 1 G C3' 1 1
1 263 2 1 1 G C4 C -6.435 9.095 -7.469 1.00 . B B . 1 G C4 1 1
1 264 2 1 1 G C4' C -9.690 6.900 -9.859 1.00 . B B . 1 G C4' 1 1
1 265 2 1 1 G C5 C -6.359 8.932 -6.102 1.00 . B B . 1 G C5 1 1
1 266 2 1 1 G C5' C -10.753 6.009 -9.199 1.00 . B B . 1 G C5' 1 1
1 267 2 1 1 G C6 C -5.206 9.420 -5.403 1.00 . B B . 1 G C6 1 1
1 268 2 1 1 G C8 C -8.215 8.087 -6.701 1.00 . B B . 1 G C8 1 1
1 269 2 1 1 G H1 H -3.432 10.367 -5.816 1.00 . B B . 1 G H1 1 1
1 270 2 1 1 G H1' H -8.073 9.543 -9.670 1.00 . B B . 1 G H1' 1 1
1 271 2 1 1 G H2' H -6.413 7.375 -9.779 1.00 . B B . 1 G H2' 1 1
1 272 2 1 1 G H21 H -2.607 11.019 -7.796 1.00 . B B . 1 G H21 1 1
1 273 2 1 1 G H22 H -3.528 10.779 -9.280 1.00 . B B . 1 G H22 1 1
1 274 2 1 1 G H3' H -8.055 5.875 -8.898 1.00 . B B . 1 G H3' 1 1
1 275 2 1 1 G H4' H -9.993 7.089 -10.890 1.00 . B B . 1 G H4' 1 1
1 276 2 1 1 G H5' H -11.675 6.581 -9.088 1.00 . B B . 1 G H5' 1 1
1 277 2 1 1 G H5'' H -10.950 5.157 -9.851 1.00 . B B . 1 G H5'' 1 1
1 278 2 1 1 G H8 H -9.180 7.601 -6.679 1.00 . B B . 1 G H8 1 1
1 279 2 1 1 G HO2' H -7.354 7.162 -12.002 1.00 . B B . 1 G HO2' 1 1
1 280 2 1 1 G HO5' H -9.643 4.880 -8.056 1.00 . B B . 1 G HO5' 1 1
1 281 2 1 1 G N1 N -4.272 10.008 -6.249 1.00 . B B . 1 G N1 1 1
1 282 2 1 1 G N2 N -3.438 10.692 -8.282 1.00 . B B . 1 G N2 1 1
1 283 2 1 1 G N3 N -5.504 9.682 -8.278 1.00 . B B . 1 G N3 1 1
1 284 2 1 1 G N7 N -7.502 8.290 -5.629 1.00 . B B . 1 G N7 1 1
1 285 2 1 1 G N9 N -7.641 8.558 -7.857 1.00 . B B . 1 G N9 1 1
1 286 2 1 1 G O2' O -7.479 7.947 -11.460 1.00 . B B . 1 G O2' 1 1
1 287 2 1 1 G O3' O -8.145 5.315 -10.896 1.00 . B B . 1 G O3' 1 1
1 288 2 1 1 G O4' O -9.554 8.158 -9.213 1.00 . B B . 1 G O4' 1 1
1 289 2 1 1 G O5' O -10.349 5.524 -7.931 1.00 . B B . 1 G O5' 1 1
1 290 2 1 1 G O6 O -4.965 9.388 -4.199 1.00 . B B . 1 G O6 1 1
1 291 2 1 2 G C1' C -2.869 7.249 -9.898 1.00 . B B . 2 G C1' 1 1
1 292 2 1 2 G C2 C -0.530 8.404 -6.413 1.00 . B B . 2 G C2 1 1
1 293 2 1 2 G C2' C -1.836 6.262 -10.438 1.00 . B B . 2 G C2' 1 1
1 294 2 1 2 G C3' C -2.716 5.165 -11.033 1.00 . B B . 2 G C3' 1 1
1 295 2 1 2 G C4 C -2.286 7.428 -7.439 1.00 . B B . 2 G C4 1 1
1 296 2 1 2 G C4' C -3.844 6.024 -11.600 1.00 . B B . 2 G C4' 1 1
1 297 2 1 2 G C5 C -2.868 7.014 -6.261 1.00 . B B . 2 G C5 1 1
1 298 2 1 2 G C5' C -5.135 5.253 -11.886 1.00 . B B . 2 G C5' 1 1
1 299 2 1 2 G C6 C -2.230 7.342 -5.015 1.00 . B B . 2 G C6 1 1
1 300 2 1 2 G C8 C -4.136 6.336 -7.836 1.00 . B B . 2 G C8 1 1
1 301 2 1 2 G H1 H -0.528 8.278 -4.351 1.00 . B B . 2 G H1 1 1
1 302 2 1 2 G H1' H -2.491 8.265 -10.018 1.00 . B B . 2 G H1' 1 1
1 303 2 1 2 G H2' H -1.189 5.874 -9.654 1.00 . B B . 2 G H2' 1 1
1 304 2 1 2 G H21 H 1.135 9.206 -5.551 1.00 . B B . 2 G H21 1 1
1 305 2 1 2 G H22 H 1.020 9.312 -7.308 1.00 . B B . 2 G H22 1 1
1 306 2 1 2 G H3' H -3.106 4.521 -10.243 1.00 . B B . 2 G H3' 1 1
1 307 2 1 2 G H4' H -3.493 6.466 -12.534 1.00 . B B . 2 G H4' 1 1
1 308 2 1 2 G H5' H -5.840 5.923 -12.374 1.00 . B B . 2 G H5' 1 1
1 309 2 1 2 G H5'' H -4.916 4.424 -12.560 1.00 . B B . 2 G H5'' 1 1
1 310 2 1 2 G H8 H -4.947 5.872 -8.378 1.00 . B B . 2 G H8 1 1
1 311 2 1 2 G HO2' H -0.690 6.221 -11.989 1.00 . B B . 2 G HO2' 1 1
1 312 2 1 2 G N1 N -1.040 8.040 -5.189 1.00 . B B . 2 G N1 1 1
1 313 2 1 2 G N2 N 0.635 9.037 -6.420 1.00 . B B . 2 G N2 1 1
1 314 2 1 2 G N3 N -1.124 8.128 -7.580 1.00 . B B . 2 G N3 1 1
1 315 2 1 2 G N7 N -4.048 6.320 -6.534 1.00 . B B . 2 G N7 1 1
1 316 2 1 2 G N9 N -3.109 7.004 -8.456 1.00 . B B . 2 G N9 1 1
1 317 2 1 2 G O2' O -1.073 6.911 -11.439 1.00 . B B . 2 G O2' 1 1
1 318 2 1 2 G O3' O -2.040 4.420 -12.035 1.00 . B B . 2 G O3' 1 1
1 319 2 1 2 G O4' O -4.055 7.073 -10.663 1.00 . B B . 2 G O4' 1 1
1 320 2 1 2 G O5' O -5.709 4.750 -10.693 1.00 . B B . 2 G O5' 1 1
1 321 2 1 2 G O6 O -2.592 7.092 -3.868 1.00 . B B . 2 G O6 1 1
1 322 2 1 2 G OP1 O -7.280 3.200 -11.900 1.00 . B B . 2 G OP1 1 1
1 323 2 1 2 G OP2 O -7.429 3.493 -9.357 1.00 . B B . 2 G OP2 1 1
1 324 2 1 2 G P P -7.164 4.055 -10.699 1.00 . B B . 2 G P 1 1
1 325 2 1 3 C C1' C 1.919 5.784 -8.185 1.00 . B B . 3 C C1' 1 1
1 326 2 1 3 C C2 C 1.265 5.621 -5.804 1.00 . B B . 3 C C2 1 1
1 327 2 1 3 C C2' C 3.139 4.869 -8.270 1.00 . B B . 3 C C2' 1 1
1 328 2 1 3 C C3' C 2.753 3.930 -9.411 1.00 . B B . 3 C C3' 1 1
1 329 2 1 3 C C4 C -0.579 4.370 -5.094 1.00 . B B . 3 C C4 1 1
1 330 2 1 3 C C4' C 2.068 4.933 -10.339 1.00 . B B . 3 C C4' 1 1
1 331 2 1 3 C C5 C -0.894 3.995 -6.441 1.00 . B B . 3 C C5 1 1
1 332 2 1 3 C C5' C 1.164 4.304 -11.406 1.00 . B B . 3 C C5' 1 1
1 333 2 1 3 C C6 C -0.087 4.467 -7.424 1.00 . B B . 3 C C6 1 1
1 334 2 1 3 C H1' H 2.248 6.789 -7.917 1.00 . B B . 3 C H1' 1 1
1 335 2 1 3 C H2' H 3.314 4.326 -7.342 1.00 . B B . 3 C H2' 1 1
1 336 2 1 3 C H3' H 2.027 3.191 -9.067 1.00 . B B . 3 C H3' 1 1
1 337 2 1 3 C H4' H 2.843 5.509 -10.844 1.00 . B B . 3 C H4' 1 1
1 338 2 1 3 C H41 H -1.044 4.238 -3.146 1.00 . B B . 3 C H41 1 1
1 339 2 1 3 C H42 H -2.100 3.337 -4.231 1.00 . B B . 3 C H42 1 1
1 340 2 1 3 C H5 H -1.727 3.356 -6.694 1.00 . B B . 3 C H5 1 1
1 341 2 1 3 C H5' H 0.820 5.086 -12.080 1.00 . B B . 3 C H5' 1 1
1 342 2 1 3 C H5'' H 1.736 3.573 -11.980 1.00 . B B . 3 C H5'' 1 1
1 343 2 1 3 C H6 H -0.291 4.185 -8.445 1.00 . B B . 3 C H6 1 1
1 344 2 1 3 C HO2' H 4.903 5.065 -9.025 1.00 . B B . 3 C HO2' 1 1
1 345 2 1 3 C N1 N 0.984 5.285 -7.133 1.00 . B B . 3 C N1 1 1
1 346 2 1 3 C N3 N 0.461 5.156 -4.813 1.00 . B B . 3 C N3 1 1
1 347 2 1 3 C N4 N -1.316 3.947 -4.078 1.00 . B B . 3 C N4 1 1
1 348 2 1 3 C O2 O 2.229 6.326 -5.510 1.00 . B B . 3 C O2 1 1
1 349 2 1 3 C O2' O 4.269 5.654 -8.605 1.00 . B B . 3 C O2' 1 1
1 350 2 1 3 C O3' O 3.892 3.311 -9.989 1.00 . B B . 3 C O3' 1 1
1 351 2 1 3 C O4' O 1.340 5.810 -9.486 1.00 . B B . 3 C O4' 1 1
1 352 2 1 3 C O5' O 0.051 3.668 -10.808 1.00 . B B . 3 C O5' 1 1
1 353 2 1 3 C OP1 O -0.643 2.561 -12.949 1.00 . B B . 3 C OP1 1 1
1 354 2 1 3 C OP2 O -2.002 2.242 -10.802 1.00 . B B . 3 C OP2 1 1
1 355 2 1 3 C P P -1.180 3.100 -11.680 1.00 . B B . 3 C P 1 1
1 356 2 1 4 G C1' C 5.012 3.666 -4.370 1.00 . B B . 4 G C1' 1 1
1 357 2 1 4 G C2 C 2.877 2.655 -0.702 1.00 . B B . 4 G C2 1 1
1 358 2 1 4 G C2' C 6.173 2.757 -3.978 1.00 . B B . 4 G C2' 1 1
1 359 2 1 4 G C3' C 6.578 2.147 -5.317 1.00 . B B . 4 G C3' 1 1
1 360 2 1 4 G C4 C 3.134 2.733 -2.943 1.00 . B B . 4 G C4 1 1
1 361 2 1 4 G C4' C 6.355 3.349 -6.232 1.00 . B B . 4 G C4' 1 1
1 362 2 1 4 G C5 C 1.909 2.155 -3.198 1.00 . B B . 4 G C5 1 1
1 363 2 1 4 G C5' C 6.194 2.985 -7.711 1.00 . B B . 4 G C5' 1 1
1 364 2 1 4 G C6 C 1.058 1.810 -2.094 1.00 . B B . 4 G C6 1 1
1 365 2 1 4 G C8 C 2.836 2.471 -5.091 1.00 . B B . 4 G C8 1 1
1 366 2 1 4 G H1 H 1.098 1.881 -0.032 1.00 . B B . 4 G H1 1 1
1 367 2 1 4 G H1' H 5.030 4.556 -3.744 1.00 . B B . 4 G H1' 1 1
1 368 2 1 4 G H2' H 5.876 1.992 -3.263 1.00 . B B . 4 G H2' 1 1
1 369 2 1 4 G H21 H 2.681 2.582 1.314 1.00 . B B . 4 G H21 1 1
1 370 2 1 4 G H22 H 4.202 3.237 0.697 1.00 . B B . 4 G H22 1 1
1 371 2 1 4 G H3' H 5.898 1.338 -5.591 1.00 . B B . 4 G H3' 1 1
1 372 2 1 4 G H4' H 7.215 4.011 -6.131 1.00 . B B . 4 G H4' 1 1
1 373 2 1 4 G H5' H 6.192 3.901 -8.298 1.00 . B B . 4 G H5' 1 1
1 374 2 1 4 G H5'' H 7.038 2.369 -8.025 1.00 . B B . 4 G H5'' 1 1
1 375 2 1 4 G H8 H 3.029 2.481 -6.154 1.00 . B B . 4 G H8 1 1
1 376 2 1 4 G HO2' H 8.040 3.107 -3.644 1.00 . B B . 4 G HO2' 1 1
1 377 2 1 4 G N1 N 1.629 2.104 -0.860 1.00 . B B . 4 G N1 1 1
1 378 2 1 4 G N2 N 3.295 2.826 0.545 1.00 . B B . 4 G N2 1 1
1 379 2 1 4 G N3 N 3.673 3.007 -1.719 1.00 . B B . 4 G N3 1 1
1 380 2 1 4 G N7 N 1.742 1.984 -4.572 1.00 . B B . 4 G N7 1 1
1 381 2 1 4 G N9 N 3.714 2.979 -4.166 1.00 . B B . 4 G N9 1 1
1 382 2 1 4 G O2' O 7.213 3.560 -3.447 1.00 . B B . 4 G O2' 1 1
1 383 2 1 4 G O3' O 7.932 1.721 -5.292 1.00 . B B . 4 G O3' 1 1
1 384 2 1 4 G O4' O 5.210 4.028 -5.731 1.00 . B B . 4 G O4' 1 1
1 385 2 1 4 G O5' O 4.985 2.281 -7.932 1.00 . B B . 4 G O5' 1 1
1 386 2 1 4 G O6 O -0.055 1.291 -2.106 1.00 . B B . 4 G O6 1 1
1 387 2 1 4 G OP1 O 5.657 1.562 -10.240 1.00 . B B . 4 G OP1 1 1
1 388 2 1 4 G OP2 O 3.354 0.965 -9.298 1.00 . B B . 4 G OP2 1 1
1 389 2 1 4 G P P 4.478 1.916 -9.421 1.00 . B B . 4 G P 1 1
1 390 2 1 5 U C1' C 5.291 -0.084 -0.449 1.00 . B B . 5 U C1' 1 1
1 391 2 1 5 U C2 C 2.969 -0.885 -0.776 1.00 . B B . 5 U C2 1 1
1 392 2 1 5 U C2' C 6.067 -1.284 0.093 1.00 . B B . 5 U C2' 1 1
1 393 2 1 5 U C3' C 7.318 -1.290 -0.777 1.00 . B B . 5 U C3' 1 1
1 394 2 1 5 U C4 C 2.098 -1.485 -3.005 1.00 . B B . 5 U C4 1 1
1 395 2 1 5 U C4' C 7.529 0.200 -1.026 1.00 . B B . 5 U C4' 1 1
1 396 2 1 5 U C5 C 3.385 -1.078 -3.534 1.00 . B B . 5 U C5 1 1
1 397 2 1 5 U C5' C 8.370 0.500 -2.273 1.00 . B B . 5 U C5' 1 1
1 398 2 1 5 U C6 C 4.374 -0.627 -2.722 1.00 . B B . 5 U C6 1 1
1 399 2 1 5 U H1' H 4.854 0.442 0.399 1.00 . B B . 5 U H1' 1 1
1 400 2 1 5 U H2' H 5.510 -2.213 -0.029 1.00 . B B . 5 U H2' 1 1
1 401 2 1 5 U H3 H 1.090 -1.604 -1.233 1.00 . B B . 5 U H3 1 1
1 402 2 1 5 U H3' H 7.093 -1.779 -1.726 1.00 . B B . 5 U H3' 1 1
1 403 2 1 5 U H4' H 8.032 0.619 -0.154 1.00 . B B . 5 U H4' 1 1
1 404 2 1 5 U H5 H 3.550 -1.144 -4.599 1.00 . B B . 5 U H5 1 1
1 405 2 1 5 U H5' H 8.506 1.577 -2.360 1.00 . B B . 5 U H5' 1 1
1 406 2 1 5 U H5'' H 9.348 0.029 -2.165 1.00 . B B . 5 U H5'' 1 1
1 407 2 1 5 U H6 H 5.319 -0.343 -3.162 1.00 . B B . 5 U H6 1 1
1 408 2 1 5 U HO2' H 7.004 -1.715 1.743 1.00 . B B . 5 U HO2' 1 1
1 409 2 1 5 U N1 N 4.193 -0.528 -1.358 1.00 . B B . 5 U N1 1 1
1 410 2 1 5 U N3 N 1.981 -1.353 -1.631 1.00 . B B . 5 U N3 1 1
1 411 2 1 5 U O2 O 2.744 -0.788 0.429 1.00 . B B . 5 U O2 1 1
1 412 2 1 5 U O2' O 6.371 -1.045 1.457 1.00 . B B . 5 U O2' 1 1
1 413 2 1 5 U O3' O 8.443 -1.892 -0.157 1.00 . B B . 5 U O3' 1 1
1 414 2 1 5 U O4 O 1.160 -1.922 -3.662 1.00 . B B . 5 U O4 1 1
1 415 2 1 5 U O4' O 6.228 0.770 -1.102 1.00 . B B . 5 U O4' 1 1
1 416 2 1 5 U O5' O 7.732 -0.003 -3.433 1.00 . B B . 5 U O5' 1 1
1 417 2 1 5 U OP1 O 9.811 0.142 -4.831 1.00 . B B . 5 U OP1 1 1
1 418 2 1 5 U OP2 O 7.608 -0.698 -5.829 1.00 . B B . 5 U OP2 1 1
1 419 2 1 5 U P P 8.336 0.206 -4.914 1.00 . B B . 5 U P 1 1
1 420 2 1 6 G C1' C 5.736 -3.574 4.480 1.00 . B B . 6 G C1' 1 1
1 421 2 1 6 G C2 C 1.636 -4.930 5.105 1.00 . B B . 6 G C2 1 1
1 422 2 1 6 G C2' C 6.349 -4.854 5.042 1.00 . B B . 6 G C2' 1 1
1 423 2 1 6 G C3' C 7.510 -5.098 4.081 1.00 . B B . 6 G C3' 1 1
1 424 2 1 6 G C4 C 3.392 -4.305 3.839 1.00 . B B . 6 G C4 1 1
1 425 2 1 6 G C4' C 7.966 -3.656 3.854 1.00 . B B . 6 G C4' 1 1
1 426 2 1 6 G C5 C 2.696 -4.408 2.654 1.00 . B B . 6 G C5 1 1
1 427 2 1 6 G C5' C 8.783 -3.440 2.577 1.00 . B B . 6 G C5' 1 1
1 428 2 1 6 G C6 C 1.313 -4.784 2.687 1.00 . B B . 6 G C6 1 1
1 429 2 1 6 G C8 C 4.668 -3.817 2.141 1.00 . B B . 6 G C8 1 1
1 430 2 1 6 G H1 H -0.104 -5.337 4.062 1.00 . B B . 6 G H1 1 1
1 431 2 1 6 G H1' H 5.310 -2.990 5.296 1.00 . B B . 6 G H1' 1 1
1 432 2 1 6 G H2' H 5.644 -5.684 5.043 1.00 . B B . 6 G H2' 1 1
1 433 2 1 6 G H21 H 0.115 -5.596 6.281 1.00 . B B . 6 G H21 1 1
1 434 2 1 6 G H22 H 1.627 -5.185 7.099 1.00 . B B . 6 G H22 1 1
1 435 2 1 6 G H3' H 7.143 -5.521 3.144 1.00 . B B . 6 G H3' 1 1
1 436 2 1 6 G H4' H 8.577 -3.358 4.707 1.00 . B B . 6 G H4' 1 1
1 437 2 1 6 G H5' H 9.094 -2.395 2.530 1.00 . B B . 6 G H5' 1 1
1 438 2 1 6 G H5'' H 9.672 -4.071 2.610 1.00 . B B . 6 G H5'' 1 1
1 439 2 1 6 G H8 H 5.541 -3.533 1.579 1.00 . B B . 6 G H8 1 1
1 440 2 1 6 G HO2' H 7.538 -5.203 6.520 1.00 . B B . 6 G HO2' 1 1
1 441 2 1 6 G N1 N 0.860 -5.044 3.976 1.00 . B B . 6 G N1 1 1
1 442 2 1 6 G N2 N 1.074 -5.256 6.261 1.00 . B B . 6 G N2 1 1
1 443 2 1 6 G N3 N 2.919 -4.549 5.095 1.00 . B B . 6 G N3 1 1
1 444 2 1 6 G N7 N 3.526 -4.098 1.579 1.00 . B B . 6 G N7 1 1
1 445 2 1 6 G N9 N 4.660 -3.892 3.511 1.00 . B B . 6 G N9 1 1
1 446 2 1 6 G O2' O 6.813 -4.592 6.354 1.00 . B B . 6 G O2' 1 1
1 447 2 1 6 G O3' O 8.514 -5.913 4.667 1.00 . B B . 6 G O3' 1 1
1 448 2 1 6 G O4' O 6.791 -2.854 3.853 1.00 . B B . 6 G O4' 1 1
1 449 2 1 6 G O5' O 8.024 -3.756 1.423 1.00 . B B . 6 G O5' 1 1
1 450 2 1 6 G O6 O 0.524 -4.894 1.752 1.00 . B B . 6 G O6 1 1
1 451 2 1 6 G OP1 O 10.053 -3.813 -0.059 1.00 . B B . 6 G OP1 1 1
1 452 2 1 6 G OP2 O 7.698 -4.134 -1.029 1.00 . B B . 6 G OP2 1 1
1 453 2 1 6 G P P 8.609 -3.493 -0.056 1.00 . B B . 6 G P 1 1
1 454 2 1 7 C C1' C 3.506 -8.101 6.599 1.00 . B B . 7 C C1' 1 1
1 455 2 1 7 C C2 C 1.692 -8.379 4.925 1.00 . B B . 7 C C2 1 1
1 456 2 1 7 C C2' C 3.736 -9.516 7.130 1.00 . B B . 7 C C2' 1 1
1 457 2 1 7 C C3' C 5.243 -9.690 6.955 1.00 . B B . 7 C C3' 1 1
1 458 2 1 7 C C4 C 2.049 -8.026 2.640 1.00 . B B . 7 C C4 1 1
1 459 2 1 7 C C4' C 5.711 -8.280 7.308 1.00 . B B . 7 C C4' 1 1
1 460 2 1 7 C C5 C 3.449 -7.805 2.850 1.00 . B B . 7 C C5 1 1
1 461 2 1 7 C C5' C 7.122 -7.955 6.803 1.00 . B B . 7 C C5' 1 1
1 462 2 1 7 C C6 C 3.904 -7.868 4.126 1.00 . B B . 7 C C6 1 1
1 463 2 1 7 C H1' H 2.732 -7.624 7.203 1.00 . B B . 7 C H1' 1 1
1 464 2 1 7 C H2' H 3.176 -10.266 6.574 1.00 . B B . 7 C H2' 1 1
1 465 2 1 7 C H3' H 5.479 -9.904 5.911 1.00 . B B . 7 C H3' 1 1
1 466 2 1 7 C H4' H 5.702 -8.182 8.394 1.00 . B B . 7 C H4' 1 1
1 467 2 1 7 C H41 H 0.527 -8.063 1.320 1.00 . B B . 7 C H41 1 1
1 468 2 1 7 C H42 H 2.101 -7.655 0.645 1.00 . B B . 7 C H42 1 1
1 469 2 1 7 C H5 H 4.138 -7.583 2.049 1.00 . B B . 7 C H5 1 1
1 470 2 1 7 C H5' H 7.422 -6.982 7.189 1.00 . B B . 7 C H5' 1 1
1 471 2 1 7 C H5'' H 7.818 -8.708 7.174 1.00 . B B . 7 C H5'' 1 1
1 472 2 1 7 C H6 H 4.954 -7.701 4.312 1.00 . B B . 7 C H6 1 1
1 473 2 1 7 C HO2' H 3.894 -10.245 8.909 1.00 . B B . 7 C HO2' 1 1
1 474 2 1 7 C N1 N 3.048 -8.124 5.176 1.00 . B B . 7 C N1 1 1
1 475 2 1 7 C N3 N 1.225 -8.312 3.648 1.00 . B B . 7 C N3 1 1
1 476 2 1 7 C N4 N 1.530 -7.940 1.423 1.00 . B B . 7 C N4 1 1
1 477 2 1 7 C O2 O 0.915 -8.664 5.834 1.00 . B B . 7 C O2 1 1
1 478 2 1 7 C O2' O 3.376 -9.546 8.499 1.00 . B B . 7 C O2' 1 1
1 479 2 1 7 C O3' O 5.778 -10.677 7.825 1.00 . B B . 7 C O3' 1 1
1 480 2 1 7 C O4' O 4.733 -7.396 6.772 1.00 . B B . 7 C O4' 1 1
1 481 2 1 7 C O5' O 7.152 -7.941 5.388 1.00 . B B . 7 C O5' 1 1
1 482 2 1 7 C OP1 O 9.654 -8.053 5.276 1.00 . B B . 7 C OP1 1 1
1 483 2 1 7 C OP2 O 8.246 -7.884 3.145 1.00 . B B . 7 C OP2 1 1
1 484 2 1 7 C P P 8.472 -7.525 4.561 1.00 . B B . 7 C P 1 1
1 485 2 1 8 C C1' C 0.460 -12.824 6.714 1.00 . B B . 8 C C1' 1 1
1 486 2 1 8 C C2 C -0.447 -12.264 4.470 1.00 . B B . 8 C C2 1 1
1 487 2 1 8 C C2' C 0.587 -14.350 6.783 1.00 . B B . 8 C C2' 1 1
1 488 2 1 8 C C3' C 2.015 -14.527 7.290 1.00 . B B . 8 C C3' 1 1
1 489 2 1 8 C C4 C 0.933 -11.533 2.727 1.00 . B B . 8 C C4 1 1
1 490 2 1 8 C C4' C 2.119 -13.338 8.247 1.00 . B B . 8 C C4' 1 1
1 491 2 1 8 C C5 C 2.100 -11.623 3.554 1.00 . B B . 8 C C5 1 1
1 492 2 1 8 C C5' C 3.561 -12.950 8.588 1.00 . B B . 8 C C5' 1 1
1 493 2 1 8 C C6 C 1.921 -12.037 4.833 1.00 . B B . 8 C C6 1 1
1 494 2 1 8 C H1' H -0.539 -12.537 7.049 1.00 . B B . 8 C H1' 1 1
1 495 2 1 8 C H2' H 0.451 -14.822 5.809 1.00 . B B . 8 C H2' 1 1
1 496 2 1 8 C H3' H 2.707 -14.404 6.456 1.00 . B B . 8 C H3' 1 1
1 497 2 1 8 C H4' H 1.590 -13.584 9.169 1.00 . B B . 8 C H4' 1 1
1 498 2 1 8 C H41 H 0.180 -11.108 0.909 1.00 . B B . 8 C H41 1 1
1 499 2 1 8 C H42 H 1.915 -10.861 1.083 1.00 . B B . 8 C H42 1 1
1 500 2 1 8 C H5 H 3.092 -11.385 3.202 1.00 . B B . 8 C H5 1 1
1 501 2 1 8 C H5' H 3.556 -12.076 9.237 1.00 . B B . 8 C H5' 1 1
1 502 2 1 8 C H5'' H 4.038 -13.776 9.116 1.00 . B B . 8 C H5'' 1 1
1 503 2 1 8 C H6 H 2.783 -12.131 5.477 1.00 . B B . 8 C H6 1 1
1 504 2 1 8 C HO2' H 0.008 -15.685 8.049 1.00 . B B . 8 C HO2' 1 1
1 505 2 1 8 C HO3' H 3.152 -15.863 8.132 1.00 . B B . 8 C HO3' 1 1
1 506 2 1 8 C N1 N 0.667 -12.340 5.317 1.00 . B B . 8 C N1 1 1
1 507 2 1 8 C N3 N -0.278 -11.856 3.184 1.00 . B B . 8 C N3 1 1
1 508 2 1 8 C N4 N 1.030 -11.148 1.463 1.00 . B B . 8 C N4 1 1
1 509 2 1 8 C O2 O -1.572 -12.576 4.858 1.00 . B B . 8 C O2 1 1
1 510 2 1 8 C O2' O -0.352 -14.857 7.714 1.00 . B B . 8 C O2' 1 1
1 511 2 1 8 C O3' O 2.219 -15.783 7.915 1.00 . B B . 8 C O3' 1 1
1 512 2 1 8 C O4' O 1.426 -12.276 7.606 1.00 . B B . 8 C O4' 1 1
1 513 2 1 8 C O5' O 4.278 -12.674 7.400 1.00 . B B . 8 C O5' 1 1
1 514 2 1 8 C OP1 O 6.499 -12.979 8.503 1.00 . B B . 8 C OP1 1 1
1 515 2 1 8 C OP2 O 6.331 -12.342 6.030 1.00 . B B . 8 C OP2 1 1
1 516 2 1 8 C P P 5.827 -12.237 7.415 1.00 . B B . 8 C P 1 1
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