Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
393991 | 1r2l RC | 5979 | cing | 4-filtered-FRED | STAR | entry | full | 317 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1r2l
# This FRED archive file contains, for PDB entry <1r2l>:
#
# - 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_1r2l
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1r2l
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 7257.51
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 . 1 $DNA__5__D_P__DNR_P__DNR_P_DAP_DTP_DAP_DAP_DTP_DTP_DTP_DAP__DNR_P__DNR___3__ A . 1 1
2 . 2 $5__D_P_CP_CP_TP_AP_TP_GP_AP_AP_AP_TP_CP_C__3_ B . 1 1
stop_
loop_
_PDBX_nonpoly_scheme.Entity_assembly_ID
_PDBX_nonpoly_scheme.Entity_ID
_PDBX_nonpoly_scheme.Mon_ID
_PDBX_nonpoly_scheme.Comp_index_ID
_PDBX_nonpoly_scheme.Comp_ID
_PDBX_nonpoly_scheme.Entry_ID
_PDBX_nonpoly_scheme.Assembly_ID
1 1 DNR 1 DNR 1 1
1 1 DNR 2 DNR 1 1
1 1 DA 3 DA 1 1
1 1 DT 4 DT 1 1
1 1 DA 5 DA 1 1
1 1 DA 6 DA 1 1
1 1 DT 7 DT 1 1
1 1 DT 8 DT 1 1
1 1 DT 9 DT 1 1
1 1 DA 10 DA 1 1
1 1 DNR 11 DNR 1 1
1 1 DNR 12 DNR 1 1
stop_
save_
save_DNA__5__D_P__DNR_P__DNR_P_DAP_DTP_DAP_DAP_DTP_DTP_DTP_DAP__DNR_P__DNR___3__
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "DNA 5 D P DNR P DNR P DAP DTP DAP DAP DTP DTP DTP DAP DNR P DNR 3 "
_Entity.Type non-polymer
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 DNR $DNR 1 1
2 DNR $DNR 1 1
3 DA . 1 1
4 DT . 1 1
5 DA . 1 1
6 DA . 1 1
7 DT . 1 1
8 DT . 1 1
9 DT . 1 1
10 DA . 1 1
11 DNR $DNR 1 1
12 DNR $DNR 1 1
stop_
save_
save_5__D_P_CP_CP_TP_AP_TP_GP_AP_AP_AP_TP_CP_C__3_
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "5 D P CP CP TP AP TP GP AP AP AP TP CP C 3 "
_Entity.Type polymer
_Entity.Polymer_type polydeoxyribonucleotide
_Entity.Polymer_seq_one_letter_code CCTATGAAATCC
_Entity.Number_of_monomers 12
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 DC . 1 2
2 DC . 1 2
3 DT . 1 2
4 DA . 1 2
5 DT . 1 2
6 DG . 1 2
7 DA . 1 2
8 DA . 1 2
9 DA . 1 2
10 DT . 1 2
11 DC . 1 2
12 DC . 1 2
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
DC 1 1 1 2
DC 2 2 1 2
DT 3 3 1 2
DA 4 4 1 2
DT 5 5 1 2
DG 6 6 1 2
DA 7 7 1 2
DA 8 8 1 2
DA 9 9 1 2
DT 10 10 1 2
DC 11 11 1 2
DC 12 12 1 2
stop_
save_
save_DNR
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID DNR
_Chem_comp.Type non-polymer
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
87 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 4 DT H2'' 1 4 T H2'1 1 1
1 1 2 1 1 4 DT H6 1 4 T H6 1 1
2 1 1 1 1 7 DT H2' 1 7 T H2'2 1 1
2 1 2 1 1 7 DT H6 1 7 T H6 1 1
3 1 1 1 1 8 DT H2' 1 8 T H2'2 1 1
3 1 2 1 1 8 DT H6 1 8 T H6 1 1
4 1 1 2 2 1 DC H2' B 1 C H2'2 1 1
4 1 2 2 2 1 DC H6 B 1 C H6 1 1
5 1 1 2 2 2 DC H2' B 2 C H2'2 1 1
5 1 2 2 2 2 DC H6 B 2 C H6 1 1
6 1 1 1 1 9 DT H2'' 1 9 T H2'1 1 1
6 1 2 1 1 9 DT H6 1 9 T H6 1 1
7 1 1 1 1 8 DT H2'' 1 8 T H2'1 1 1
7 1 2 1 1 8 DT H6 1 8 T H6 1 1
8 1 1 1 1 7 DT H2'' 1 7 T H2'1 1 1
8 1 2 1 1 7 DT H6 1 7 T H6 1 1
9 1 1 2 2 10 DT H2'' B 10 T H2'1 1 1
9 1 2 2 2 10 DT H6 B 10 T H6 1 1
10 1 1 2 2 5 DT H2'' B 5 T H2'1 1 1
10 1 2 2 2 5 DT H6 B 5 T H6 1 1
11 1 1 2 2 10 DT H2' B 10 T H2'2 1 1
11 1 2 2 2 10 DT H6 B 10 T H6 1 1
12 1 1 2 2 6 DG H2'' B 6 G H2'1 1 1
12 1 2 2 2 6 DG H8 B 6 G H8 1 1
13 1 1 2 2 7 DA H2' B 7 A H2'2 1 1
13 1 2 2 2 7 DA H8 B 7 A H8 1 1
14 1 1 1 1 5 DA H2'' 1 5 A H2'1 1 1
14 1 2 1 1 5 DA H8 1 5 A H8 1 1
15 1 1 2 2 8 DA H2'' B 8 A H2'1 1 1
15 1 2 2 2 8 DA H8 B 8 A H8 1 1
16 1 1 2 2 9 DA H2' B 9 A H2'2 1 1
16 1 2 2 2 9 DA H8 B 9 A H8 1 1
17 1 1 2 2 8 DA H2' B 8 A H2'2 1 1
17 1 2 2 2 8 DA H8 B 8 A H8 1 1
18 1 1 1 1 6 DA H2'' 1 6 A H2'2 1 1
18 1 2 1 1 6 DA H8 1 6 A H8 1 1
19 1 1 1 1 5 DA H2' 1 5 A H2'2 1 1
19 1 2 1 1 5 DA H8 1 5 A H8 1 1
20 1 1 2 2 1 DC H2'' B 1 C H2'1 1 1
20 1 2 2 2 1 DC H6 B 1 C H6 1 1
21 1 1 1 1 8 DT H2'' 1 8 T H2'1 1 1
21 1 2 1 1 9 DT H6 1 9 T H6 1 1
22 1 1 2 2 9 DA H2' B 9 A H2'2 1 1
22 1 2 2 2 10 DT H6 B 10 T H6 1 1
23 1 1 2 2 9 DA H2'' B 9 A H2'1 1 1
23 1 2 2 2 10 DT H6 B 10 T H6 1 1
24 1 1 2 2 4 DA H2' B 4 A H2'1 1 1
24 1 2 2 2 5 DT H6 B 5 T H6 1 1
25 1 1 2 2 6 DG H2'' B 6 G H2'1 1 1
25 1 2 2 2 7 DA H8 B 7 A H8 1 1
26 1 1 1 1 4 DT H2'' 1 4 T H2'1 1 1
26 1 2 1 1 5 DA H8 1 5 A H8 1 1
27 1 1 2 2 3 DT H2'' B 3 T H2'1 1 1
27 1 2 2 2 4 DA H8 B 4 A H8 1 1
28 1 1 1 1 9 DT H2'' 1 9 T H2'1 1 1
28 1 2 1 1 10 DA H8 1 10 A H8 1 1
29 1 1 2 2 7 DA H2' B 7 A H2'2 1 1
29 1 2 2 2 8 DA H8 B 8 A H8 1 1
30 1 1 2 2 7 DA H2'' B 7 A H2'1 1 1
30 1 2 2 2 8 DA H8 B 8 A H8 1 1
31 1 1 2 2 6 DG H1' B 6 G H1' 1 1
31 1 2 2 2 7 DA H8 B 7 A H8 1 1
32 1 1 1 1 4 DT H1' 1 4 T H1' 1 1
32 1 2 1 1 4 DT H6 1 4 T H6 1 1
33 1 1 2 2 5 DT H1' B 5 T H1' 1 1
33 1 2 2 2 5 DT H6 B 5 T H6 1 1
34 1 1 2 2 3 DT H1' B 3 T H1' 1 1
34 1 2 2 2 3 DT H6 B 3 T H6 1 1
35 1 1 1 1 9 DT H1' 1 9 T H1' 1 1
35 1 2 1 1 9 DT H6 1 9 T H6 1 1
36 1 1 1 1 7 DT H1' 1 7 T H1' 1 1
36 1 2 1 1 7 DT H6 1 7 T H6 1 1
37 1 1 2 2 10 DT H1' B 10 T H1' 1 1
37 1 2 2 2 10 DT H6 B 10 T H6 1 1
38 1 1 1 1 8 DT H1' 1 8 T H1' 1 1
38 1 2 1 1 8 DT H6 1 8 T H6 1 1
39 1 1 2 2 8 DA H1' B 8 A H1' 1 1
39 1 2 2 2 8 DA H8 B 8 A H8 1 1
40 1 1 2 2 7 DA H1' B 7 A H1' 1 1
40 1 2 2 2 7 DA H8 B 7 A H8 1 1
41 1 1 2 2 7 DA H1' B 7 A H1' 1 1
41 1 2 2 2 8 DA H8 B 8 A H8 1 1
42 1 1 2 2 8 DA H1' B 8 A H1' 1 1
42 1 2 2 2 9 DA H8 B 9 A H8 1 1
43 1 1 1 1 3 DA H1' 1 3 A H1' 1 1
43 1 2 1 1 3 DA H8 1 3 A H8 1 1
44 1 1 2 2 4 DA H1' B 4 A H1' 1 1
44 1 2 2 2 4 DA H8 B 4 A H8 1 1
45 1 1 1 1 10 DA H1' 1 10 A H1' 1 1
45 1 2 1 1 10 DA H8 1 10 A H8 1 1
46 1 1 1 1 3 DA H1' 1 3 A H1' 1 1
46 1 2 1 1 4 DT H6 1 4 T H6 1 1
47 1 1 2 2 4 DA H1' B 4 A H1' 1 1
47 1 2 2 2 5 DT H6 B 5 T H6 1 1
48 1 1 1 1 6 DA H1' 1 6 A H1' 1 1
48 1 2 1 1 7 DT H6 1 7 T H6 1 1
49 1 1 2 2 9 DA H1' B 9 A H1' 1 1
49 1 2 2 2 10 DT H6 B 10 T H6 1 1
50 1 1 2 2 3 DT H1' B 3 T H1' 1 1
50 1 2 2 2 4 DA H8 B 4 A H8 1 1
51 1 1 1 1 9 DT H1' 1 9 T H1' 1 1
51 1 2 1 1 10 DA H8 1 10 A H8 1 1
52 1 1 1 1 5 DA H1' 1 5 A H1' 1 1
52 1 2 1 1 6 DA H8 1 6 A H8 1 1
53 1 1 2 2 5 DT H1' B 5 T H1' 1 1
53 1 2 2 2 6 DG H8 B 6 G H8 1 1
54 1 1 1 1 7 DT H1' 1 7 T H1' 1 1
54 1 2 1 1 8 DT H6 1 8 T H6 1 1
55 1 1 1 1 4 DT H1' 1 4 T H1' 1 1
55 1 2 1 1 4 DT H2' 1 4 T H2'2 1 1
56 1 1 2 2 3 DT H1' B 3 T H1' 1 1
56 1 2 2 2 3 DT H2'' B 3 T H2'1 1 1
57 1 1 1 1 9 DT H1' 1 9 T H1' 1 1
57 1 2 1 1 9 DT H2'' 1 9 T H2'1 1 1
58 1 1 1 1 4 DT H1' 1 4 T H1' 1 1
58 1 2 1 1 4 DT H2'' 1 4 T H2'1 1 1
59 1 1 2 2 7 DA H1' B 7 A H1' 1 1
59 1 2 2 2 7 DA H2'' B 7 A H2'1 1 1
60 1 1 2 2 9 DA H1' B 9 A H1' 1 1
60 1 2 2 2 9 DA H2' B 9 A H2'2 1 1
61 1 1 1 1 5 DA H1' 1 5 A H1' 1 1
61 1 2 1 1 5 DA H2'' 1 5 A H2'1 1 1
62 1 1 2 2 8 DA H1' B 8 A H1' 1 1
62 1 2 2 2 8 DA H2' B 8 A H2'2 1 1
63 1 1 2 2 9 DA H1' B 9 A H1' 1 1
63 1 2 2 2 9 DA H2'' B 9 A H2'1 1 1
64 1 1 2 2 8 DA H1' B 8 A H1' 1 1
64 1 2 2 2 8 DA H2'' B 8 A H2'1 1 1
65 1 1 1 1 6 DA H1' 1 6 A H1' 1 1
65 1 2 1 1 6 DA H2' 1 6 A H2'1 1 1
66 1 1 2 2 7 DA H1' B 7 A H1' 1 1
66 1 2 2 2 7 DA H2' B 7 A H2'2 1 1
67 1 1 1 1 5 DA H1' 1 5 A H1' 1 1
67 1 2 1 1 5 DA H2' 1 5 A H2'2 1 1
68 1 1 2 2 3 DT H1' B 3 T H1' 1 1
68 1 2 2 2 3 DT H2' B 3 T H2'2 1 1
69 1 1 2 2 5 DT H1' B 5 T H1' 1 1
69 1 2 2 2 5 DT H2' B 5 T H2'2 1 1
70 1 1 1 1 9 DT H1' 1 9 T H1' 1 1
70 1 2 1 1 9 DT H2' 1 9 T H2'2 1 1
71 1 1 1 1 7 DT H1' 1 7 T H1' 1 1
71 1 2 1 1 7 DT H2' 1 7 T H2'2 1 1
72 1 1 2 2 3 DT H1' B 3 T H1' 1 1
72 1 2 2 2 3 DT H4' B 3 T H4' 1 1
73 1 1 1 1 4 DT H1' 1 4 T H1' 1 1
73 1 2 1 1 4 DT H3' 1 4 T H3' 1 1
74 1 1 1 1 5 DA H1' 1 5 A H1' 1 1
74 1 2 1 1 5 DA H4' 1 5 A H4' 1 1
75 1 1 2 2 8 DA H1' B 8 A H1' 1 1
75 1 2 2 2 8 DA H4' B 8 A H4' 1 1
76 1 1 2 2 6 DG H1' B 6 G H1' 1 1
76 1 2 2 2 6 DG H3' B 6 G H3' 1 1
77 1 1 1 1 9 DT H1' 1 9 T H1' 1 1
77 1 2 1 1 9 DT H4' 1 9 T H4' 1 1
78 1 1 2 2 3 DT H1' B 3 T H1' 1 1
78 1 2 2 2 3 DT H3' B 3 T H3' 1 1
79 1 1 1 1 9 DT H1' 1 9 T H1' 1 1
79 1 2 1 1 9 DT H3' 1 9 T H3' 1 1
80 1 1 1 1 10 DA H1' 1 10 A H1' 1 1
80 1 2 1 1 10 DA H4' 1 10 A H4' 1 1
81 1 1 2 2 8 DA H1' B 8 A H1' 1 1
81 1 2 2 2 8 DA H3' B 8 A H3' 1 1
82 1 1 1 1 4 DT H1' 1 4 T H1' 1 1
82 1 2 1 1 4 DT H4' 1 4 T H4' 1 1
83 1 1 1 1 5 DA H1' 1 5 A H1' 1 1
83 1 2 1 1 5 DA H3' 1 5 A H3' 1 1
84 1 1 1 1 10 DA H1' 1 10 A H1' 1 1
84 1 2 1 1 10 DA H3' 1 10 A H3' 1 1
85 1 1 2 2 7 DA H1' B 7 A H1' 1 1
85 1 2 2 2 7 DA H3' B 7 A H3' 1 1
86 1 1 2 2 6 DG H1' B 6 G H1' 1 1
86 1 2 2 2 6 DG H4' B 6 G H4' 1 1
87 1 1 2 2 7 DA H1' B 7 A H1' 1 1
87 1 2 2 2 7 DA H4' B 7 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 . . . . . . 2.78 3.8 1 1
2 1 . . . . . . 2.1 2.69 1 1
3 1 . . . . . . 2.21 2.82 1 1
4 1 . . . . . . 2.69 3.24 1 1
5 1 . . . . . . 2.55 3.25 1 1
6 1 . . . . . . 2.55 4.0 1 1
7 1 . . . . . . 3.1 3.6 1 1
8 1 . . . . . . 2.95 3.75 1 1
9 1 . . . . . . 2.75 3.5 1 1
10 1 . . . . . . 2.69 3.43 1 1
11 1 . . . . . . 2.11 2.69 1 1
12 1 . . . . . . 3.08 3.95 1 1
13 1 . . . . . . 2.34 3.0 1 1
14 1 . . . . . . 2.9 3.7 1 1
15 1 . . . . . . 2.82 3.6 1 1
16 1 . . . . . . 2.85 2.91 1 1
17 1 . . . . . . 2.35 3.0 1 1
18 1 . . . . . . 3.0 4.16 1 1
19 1 . . . . . . 2.33 3.0 1 1
20 1 . . . . . . 3.67 4.68 1 1
21 1 . . . . . . 2.83 4.04 1 1
22 1 . . . . . . 2.98 4.2 1 1
23 1 . . . . . . 2.75 3.5 1 1
24 1 . . . . . . 2.48 3.16 1 1
25 1 . . . . . . 2.4 3.1 1 1
26 1 . . . . . . 3.3 4.2 1 1
27 1 . . . . . . 4.0 5.0 1 1
28 1 . . . . . . 4.15 5.0 1 1
29 1 . . . . . . 3.4 4.3 1 1
30 1 . . . . . . 3.85 4.9 1 1
31 1 . . . . . . 3.1 3.95 1 1
32 1 . . . . . . 3.0 3.8 1 1
33 1 . . . . . . 3.1 4.0 1 1
34 1 . . . . . . 3.0 3.8 1 1
35 1 . . . . . . 3.1 3.94 1 1
36 1 . . . . . . 3.05 3.9 1 1
37 1 . . . . . . 3.2 4.05 1 1
38 1 . . . . . . 3.1 3.9 1 1
39 1 . . . . . . 3.1 4.0 1 1
40 1 . . . . . . 3.35 4.3 1 1
41 1 . . . . . . 3.85 4.9 1 1
42 1 . . . . . . 3.3 4.2 1 1
43 1 . . . . . . 4.0 5.0 1 1
44 1 . . . . . . 3.6 4.55 1 1
45 1 . . . . . . 3.6 4.6 1 1
46 1 . . . . . . 3.9 5.0 1 1
47 1 . . . . . . 3.5 4.4 1 1
48 1 . . . . . . 3.7 4.7 1 1
49 1 . . . . . . 3.35 4.25 1 1
50 1 . . . . . . 4.2 4.8 1 1
51 1 . . . . . . 4.2 4.8 1 1
52 1 . . . . . . 4.2 4.8 1 1
53 1 . . . . . . 4.2 5.0 1 1
54 1 . . . . . . 4.2 4.8 1 1
55 1 . . . . . . 2.35 3.0 1 1
56 1 . . . . . . 2.05 2.6 1 1
57 1 . . . . . . 2.35 3.0 1 1
58 1 . . . . . . 2.65 3.4 1 1
59 1 . . . . . . 2.25 2.9 1 1
60 1 . . . . . . 2.6 3.3 1 1
61 1 . . . . . . 2.25 2.9 1 1
62 1 . . . . . . 2.6 3.3 1 1
63 1 . . . . . . 2.2 2.8 1 1
64 1 . . . . . . 2.2 2.8 1 1
65 1 . . . . . . 2.15 2.7 1 1
66 1 . . . . . . 2.65 3.4 1 1
67 1 . . . . . . 2.65 3.35 1 1
68 1 . . . . . . 2.95 3.75 1 1
69 1 . . . . . . 2.65 3.4 1 1
70 1 . . . . . . 2.85 3.6 1 1
71 1 . . . . . . 2.7 3.4 1 1
72 1 . . . . . . 2.15 2.7 1 1
73 1 . . . . . . 2.6 3.6 1 1
74 1 . . . . . . 2.2 2.8 1 1
75 1 . . . . . . 2.27 2.9 1 1
76 1 . . . . . . 2.65 3.6 1 1
77 1 . . . . . . 2.45 3.1 1 1
78 1 . . . . . . 2.75 3.5 1 1
79 1 . . . . . . 3.0 3.8 1 1
80 1 . . . . . . 2.9 3.7 1 1
81 1 . . . . . . 2.5 3.6 1 1
82 1 . . . . . . 2.9 3.7 1 1
83 1 . . . . . . 3.25 4.1 1 1
84 1 . . . . . . 3.35 4.3 1 1
85 1 . . . . . . 2.85 3.65 1 1
86 1 . . . . . . 3.2 4.05 1 1
87 1 . . . . . . 3.05 3.9 1 1
stop_
save_
save_Discover_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_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 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
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 3 DA H2 1 3 A H2 1 2
1 1 2 2 2 3 DT H3 B 3 T H3 1 2
2 1 1 2 2 3 DT H3 B 3 T H3 1 2
2 1 2 2 2 4 DA H2 B 4 A H2 1 2
3 1 1 1 1 4 DT H3 1 4 T H3 1 2
3 1 2 1 1 5 DA H2 1 5 A H2 1 2
4 1 1 1 1 3 DA H2 1 3 A H2 1 2
4 1 2 1 1 4 DT H3 1 4 T H3 1 2
5 1 1 1 1 4 DT H3 1 4 T H3 1 2
5 1 2 2 2 4 DA H2 B 4 A H2 1 2
6 1 1 2 2 4 DA H2 B 4 A H2 1 2
6 1 2 2 2 5 DT H3 B 5 T H3 1 2
7 1 1 1 1 5 DA H2 1 5 A H2 1 2
7 1 2 2 2 5 DT H3 B 5 T H3 1 2
8 1 1 1 1 6 DA H2 1 6 A H2 1 2
8 1 2 2 2 6 DG H1 B 6 G H1 1 2
9 1 1 1 1 7 DT H3 1 7 T H3 1 2
9 1 2 2 2 7 DA H2 B 7 A H2 1 2
10 1 1 1 1 8 DT H3 1 8 T H3 1 2
10 1 2 2 2 8 DA H2 B 8 A H2 1 2
11 1 1 1 1 8 DT H3 1 8 T H3 1 2
11 1 2 2 2 7 DA H2 B 7 A H2 1 2
12 1 1 1 1 9 DT H3 1 9 T H3 1 2
12 1 2 2 2 8 DA H2 B 8 A H2 1 2
13 1 1 1 1 9 DT H3 1 9 T H3 1 2
13 1 2 2 2 9 DA H2 B 9 A H2 1 2
14 1 1 1 1 9 DT H3 1 9 T H3 1 2
14 1 2 1 1 10 DA H2 1 10 A H2 1 2
15 1 1 2 2 9 DA H2 B 9 A H2 1 2
15 1 2 2 2 10 DT H3 B 10 T H3 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 . . . . . . 3.3 4.0 1 2
2 1 . . . . . . 3.4 4.4 1 2
3 1 . . . . . . 3.4 4.4 1 2
4 1 . . . . . . 3.4 4.4 1 2
5 1 . . . . . . 3.3 4.0 1 2
6 1 . . . . . . 3.4 4.4 1 2
7 1 . . . . . . 3.3 4.0 1 2
8 1 . . . . . . 3.3 4.0 1 2
9 1 . . . . . . 3.3 4.0 1 2
10 1 . . . . . . 3.3 4.0 1 2
11 1 . . . . . . 3.4 4.4 1 2
12 1 . . . . . . 3.4 4.4 1 2
13 1 . . . . . . 3.3 4.0 1 2
14 1 . . . . . . 3.4 4.4 1 2
15 1 . . . . . . 3.4 4.4 1 2
stop_
save_
save_Discover_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 3
_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 3
2 1 . . . 1 3
3 1 . . . 1 3
4 1 . . . 1 3
5 1 . . . 1 3
6 1 . . . 1 3
7 1 . . . 1 3
8 1 . . . 1 3
9 1 . . . 1 3
10 1 . . . 1 3
11 1 . . . 1 3
12 1 . . . 1 3
13 1 . . . 1 3
14 1 . . . 1 3
15 1 . . . 1 3
16 1 . . . 1 3
17 1 . . . 1 3
18 1 . . . 1 3
19 1 . . . 1 3
20 1 . . . 1 3
21 1 . . . 1 3
22 1 . . . 1 3
23 1 . . . 1 3
24 1 . . . 1 3
25 1 . . . 1 3
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 6 DA C1' 1 6 A C1' 1 3
1 1 2 2 2 6 DG C1' B 6 G C1' 1 3
2 1 1 1 1 1 DNR O2 1 1 C O2 1 3
2 1 2 2 2 1 DC H41 B 1 C H42 1 3
3 1 1 1 1 1 DNR H42 1 1 C H42 1 3
3 1 2 2 2 1 DC O2 B 1 C O2 1 3
4 1 1 1 1 2 DNR O2 1 2 C O2 1 3
4 1 2 2 2 2 DC H41 B 2 C H42 1 3
5 1 1 1 1 2 DNR H42 1 2 C H42 1 3
5 1 2 2 2 2 DC O2 B 2 C O2 1 3
6 1 1 1 1 3 DA H61 1 3 A H61 1 3
6 1 2 2 2 3 DT O2 B 3 T O2 1 3
7 1 1 1 1 3 DA N1 1 3 A N1 1 3
7 1 2 2 2 3 DT H3 B 3 T H3 1 3
8 1 1 1 1 4 DT O2 1 4 T O2 1 3
8 1 2 2 2 4 DA H61 B 4 A H61 1 3
9 1 1 1 1 4 DT H3 1 4 T H3 1 3
9 1 2 2 2 4 DA N1 B 4 A N1 1 3
10 1 1 1 1 5 DA H61 1 5 A H61 1 3
10 1 2 2 2 5 DT O2 B 5 T O2 1 3
11 1 1 1 1 5 DA N1 1 5 A N1 1 3
11 1 2 2 2 5 DT H3 B 5 T H3 1 3
12 1 1 1 1 6 DA Q6 1 6 A H61 1 3
12 1 2 2 2 6 DG O6 B 6 G O6 1 3
13 1 1 1 1 6 DA N1 1 6 A N1 1 3
13 1 2 2 2 6 DG H1 B 6 G H1 1 3
14 1 1 1 1 7 DT O2 1 7 T O2 1 3
14 1 2 2 2 7 DA H61 B 7 A H61 1 3
15 1 1 1 1 7 DT H3 1 7 T H3 1 3
15 1 2 2 2 7 DA N1 B 7 A N1 1 3
16 1 1 1 1 8 DT O2 1 8 T O2 1 3
16 1 2 2 2 8 DA H61 B 8 A H61 1 3
17 1 1 1 1 8 DT H3 1 8 T H3 1 3
17 1 2 2 2 8 DA N1 B 8 A N1 1 3
18 1 1 1 1 9 DT O2 1 9 T O2 1 3
18 1 2 2 2 9 DA H61 B 9 A H61 1 3
19 1 1 1 1 9 DT H3 1 9 T H3 1 3
19 1 2 2 2 9 DA N1 B 9 A N1 1 3
20 1 1 1 1 10 DA H61 1 10 A H61 1 3
20 1 2 2 2 10 DT O2 B 10 T O2 1 3
21 1 1 1 1 10 DA N1 1 10 A N1 1 3
21 1 2 2 2 10 DT H3 B 10 T H3 1 3
22 1 1 1 1 11 DNR H42 1 11 C H42 1 3
22 1 2 2 2 11 DC O2 B 11 C O2 1 3
23 1 1 1 1 11 DNR O2 1 11 C O2 1 3
23 1 2 2 2 11 DC H41 B 11 C H42 1 3
24 1 1 1 1 12 DNR H42 1 12 C H42 1 3
24 1 2 2 2 12 DC O2 B 12 C O2 1 3
25 1 1 1 1 12 DNR O2 1 12 C O2 1 3
25 1 2 2 2 12 DC H41 B 12 C H42 1 3
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 . . . . . . 12.3 13.2 1 3
2 1 . . . . . . 1.92 2.2 1 3
3 1 . . . . . . 1.92 2.2 1 3
4 1 . . . . . . 1.92 2.2 1 3
5 1 . . . . . . 1.92 2.2 1 3
6 1 . . . . . . 1.92 2.2 1 3
7 1 . . . . . . 1.92 2.2 1 3
8 1 . . . . . . 1.92 2.2 1 3
9 1 . . . . . . 1.92 2.2 1 3
10 1 . . . . . . 1.92 2.2 1 3
11 1 . . . . . . 1.92 2.2 1 3
12 1 . . . . . . 1.92 2.2 1 3
13 1 . . . . . . 1.92 2.22 1 3
14 1 . . . . . . 1.92 2.2 1 3
15 1 . . . . . . 1.92 2.2 1 3
16 1 . . . . . . 1.92 2.2 1 3
17 1 . . . . . . 1.92 2.2 1 3
18 1 . . . . . . 1.92 2.2 1 3
19 1 . . . . . . 1.92 2.2 1 3
20 1 . . . . . . 1.92 2.2 1 3
21 1 . . . . . . 1.92 2.2 1 3
22 1 . . . . . . 1.92 2.2 1 3
23 1 . . . . . . 1.92 2.2 1 3
24 1 . . . . . . 1.92 2.2 1 3
25 1 . . . . . . 1.92 2.2 1 3
stop_
save_
save_Discover_distance_constraints_5_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 4
_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 4
2 1 . . . 1 4
3 1 . . . 1 4
4 1 . . . 1 4
5 1 . . . 1 4
6 1 . . . 1 4
7 1 . . . 1 4
8 1 . . . 1 4
9 1 . . . 1 4
10 1 . . . 1 4
11 1 . . . 1 4
12 1 . . . 1 4
13 1 . . . 1 4
14 1 . . . 1 4
15 1 . . . 1 4
16 1 . . . 1 4
17 1 . . . 1 4
18 1 . . . 1 4
19 1 . . . 1 4
20 1 . . . 1 4
21 1 . . . 1 4
22 1 . . . 1 4
23 1 . . . 1 4
24 1 . . . 1 4
25 1 . . . 1 4
26 1 . . . 1 4
27 1 . . . 1 4
28 1 . . . 1 4
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 DNR O2 1 1 C O2 1 4
1 1 2 2 2 1 DC N4 B 1 C N4 1 4
2 1 1 1 1 1 DNR N4 1 1 C N4 1 4
2 1 2 2 2 1 DC O2 B 1 C O2 1 4
3 1 1 1 1 2 DNR O2 1 2 C O2 1 4
3 1 2 2 2 2 DC N4 B 2 C N4 1 4
4 1 1 1 1 2 DNR N4 1 2 C N4 1 4
4 1 2 2 2 2 DC O2 B 2 C O2 1 4
5 1 1 1 1 3 DA N6 1 3 A N6 1 4
5 1 2 2 2 3 DT O2 B 3 T O2 1 4
6 1 1 1 1 3 DA N1 1 3 A N1 1 4
6 1 2 2 2 3 DT N3 B 3 T N3 1 4
7 1 1 1 1 4 DT O2 1 4 T O2 1 4
7 1 2 2 2 4 DA N6 B 4 A N6 1 4
8 1 1 1 1 4 DT N3 1 4 T N3 1 4
8 1 2 2 2 4 DA N1 B 4 A N1 1 4
9 1 1 1 1 5 DA N6 1 5 A N6 1 4
9 1 2 2 2 5 DT O2 B 5 T O2 1 4
10 1 1 1 1 5 DA N1 1 5 A N1 1 4
10 1 2 2 2 5 DT N3 B 5 T N3 1 4
11 1 1 1 1 6 DA N6 1 6 A N6 1 4
11 1 2 2 2 6 DG O6 B 6 G O6 1 4
12 1 1 1 1 6 DA N1 1 6 A N1 1 4
12 1 2 2 2 6 DG N1 B 6 G N1 1 4
13 1 1 1 1 7 DT O2 1 7 T O2 1 4
13 1 2 2 2 7 DA N6 B 7 A N6 1 4
14 1 1 1 1 7 DT N3 1 7 T N3 1 4
14 1 2 2 2 7 DA N1 B 7 A N1 1 4
15 1 1 1 1 8 DT O2 1 8 T O2 1 4
15 1 2 2 2 8 DA N6 B 8 A N6 1 4
16 1 1 1 1 8 DT N3 1 8 T N3 1 4
16 1 2 2 2 8 DA N1 B 8 A N1 1 4
17 1 1 1 1 9 DT O2 1 9 T O2 1 4
17 1 2 2 2 9 DA N6 B 9 A N6 1 4
18 1 1 1 1 9 DT N3 1 9 T N3 1 4
18 1 2 2 2 9 DA N1 B 9 A N1 1 4
19 1 1 1 1 10 DA N6 1 10 A N6 1 4
19 1 2 2 2 10 DT O2 B 10 T O2 1 4
20 1 1 1 1 10 DA N1 1 10 A N1 1 4
20 1 2 2 2 10 DT N3 B 10 T N3 1 4
21 1 1 1 1 11 DNR N4 1 11 C N4 1 4
21 1 2 2 2 11 DC O2 B 11 C O2 1 4
22 1 1 1 1 11 DNR O2 1 11 C O2 1 4
22 1 2 2 2 11 DC N4 B 11 C N4 1 4
23 1 1 1 1 12 DNR N4 1 12 C N4 1 4
23 1 2 2 2 12 DC O2 B 12 C O2 1 4
24 1 1 1 1 12 DNR O2 1 12 C O2 1 4
24 1 2 2 2 12 DC N4 B 12 C N4 1 4
25 1 1 1 1 1 DNR N3 1 1 C N3 1 4
25 1 2 2 2 1 DC N3 B 1 C N3 1 4
26 1 1 1 1 2 DNR N3 1 2 C N3 1 4
26 1 2 2 2 2 DC N3 B 2 C N3 1 4
27 1 1 1 1 11 DNR N3 1 11 C N3 1 4
27 1 2 2 2 11 DC N3 B 11 C N3 1 4
28 1 1 1 1 12 DNR N3 1 12 C N3 1 4
28 1 2 2 2 12 DC N3 B 12 C N3 1 4
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 2.93 3.1 1 4
2 1 . . . . . . 2.93 3.1 1 4
3 1 . . . . . . 2.93 3.1 1 4
4 1 . . . . . . 2.93 3.1 1 4
5 1 . . . . . . 2.93 3.1 1 4
6 1 . . . . . . 2.93 3.1 1 4
7 1 . . . . . . 2.93 3.1 1 4
8 1 . . . . . . 2.93 3.1 1 4
9 1 . . . . . . 2.93 3.1 1 4
10 1 . . . . . . 2.93 3.1 1 4
11 1 . . . . . . 2.93 3.1 1 4
12 1 . . . . . . 2.93 3.1 1 4
13 1 . . . . . . 2.93 3.1 1 4
14 1 . . . . . . 2.93 3.1 1 4
15 1 . . . . . . 2.93 3.1 1 4
16 1 . . . . . . 2.93 3.1 1 4
17 1 . . . . . . 2.93 3.1 1 4
18 1 . . . . . . 2.93 3.1 1 4
19 1 . . . . . . 2.93 3.1 1 4
20 1 . . . . . . 2.93 3.1 1 4
21 1 . . . . . . 2.93 3.1 1 4
22 1 . . . . . . 2.93 3.1 1 4
23 1 . . . . . . 2.93 3.1 1 4
24 1 . . . . . . 2.73 3.1 1 4
25 1 . . . . . . 2.93 3.1 1 4
26 1 . . . . . . 2.93 3.1 1 4
27 1 . . . . . . 2.93 3.1 1 4
28 1 . . . . . . 2.93 3.1 1 4
stop_
save_
save_Discover_dihedral_6
_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 . 2 2 1 DC O3' 2 2 2 DC P 2 2 2 DC O5' 2 2 2 DC C5' 260.0 310.0 B 1 C O3' B 2 C P B 2 C O5' B 2 C C5' 1 1
2 . 2 2 2 DC O3' 2 2 3 DT P 2 2 3 DT O5' 2 2 3 DT C5' 260.0 310.0 B 2 C O3' B 3 T P B 3 T O5' B 3 T C5' 1 1
3 . 2 2 3 DT O3' 2 2 4 DA P 2 2 4 DA O5' 2 2 4 DA C5' 260.0 310.0 B 3 T O3' B 4 A P B 4 A O5' B 4 A C5' 1 1
4 . 2 2 4 DA O3' 2 2 5 DT P 2 2 5 DT O5' 2 2 5 DT C5' 245.0 325.0 B 4 A O3' B 5 T P B 5 T O5' B 5 T C5' 1 1
5 . 2 2 5 DT O3' 2 2 6 DG P 2 2 6 DG O5' 2 2 6 DG C5' 245.0 325.0 B 5 T O3' B 6 G P B 6 G O5' B 6 G C5' 1 1
6 . 2 2 6 DG O3' 2 2 7 DA P 2 2 7 DA O5' 2 2 7 DA C5' 245.0 325.0 B 6 G O3' B 7 A P B 7 A O5' B 7 A C5' 1 1
7 . 2 2 7 DA O3' 2 2 8 DA P 2 2 8 DA O5' 2 2 8 DA C5' 260.0 310.0 B 7 A O3' B 8 A P B 8 A O5' B 8 A C5' 1 1
8 . 2 2 8 DA O3' 2 2 9 DA P 2 2 9 DA O5' 2 2 9 DA C5' 260.0 310.0 B 8 A O3' B 9 A P B 9 A O5' B 9 A C5' 1 1
9 . 2 2 9 DA O3' 2 2 10 DT P 2 2 10 DT O5' 2 2 10 DT C5' 260.0 310.0 B 9 A O3' B 10 T P B 10 T O5' B 10 T C5' 1 1
10 . 2 2 10 DT O3' 2 2 11 DC P 2 2 11 DC O5' 2 2 11 DC C5' 260.0 310.0 B 10 T O3' B 11 C P B 11 C O5' B 11 C C5' 1 1
11 . 2 2 11 DC O3' 2 2 12 DC P 2 2 12 DC O5' 2 2 12 DC C5' 260.0 310.0 B 11 C O3' B 12 C P B 12 C O5' B 12 C C5' 1 1
12 . 1 1 1 DNR O3' 1 1 2 DNR P 1 1 2 DNR O5' 1 1 2 DNR C5' 260.0 310.0 1 1 C O3' 1 2 C P 1 2 C O5' 1 2 C C5' 1 1
13 . 1 1 2 DNR O3' 1 1 3 DA P 1 1 3 DA O5' 1 1 3 DA C5' 260.0 310.0 1 2 C O3' 1 3 A P 1 3 A O5' 1 3 A C5' 1 1
14 . 1 1 3 DA O3' 1 1 4 DT P 1 1 4 DT O5' 1 1 4 DT C5' 260.0 310.0 1 3 A O3' 1 4 T P 1 4 T O5' 1 4 T C5' 1 1
15 . 1 1 4 DT O3' 1 1 5 DA P 1 1 5 DA O5' 1 1 5 DA C5' 245.0 325.0 1 4 T O3' 1 5 A P 1 5 A O5' 1 5 A C5' 1 1
16 . 1 1 5 DA O3' 1 1 6 DA P 1 1 6 DA O5' 1 1 6 DA C5' 245.0 325.0 1 5 A O3' 1 6 A P 1 6 A O5' 1 6 A C5' 1 1
17 . 1 1 6 DA O3' 1 1 7 DT P 1 1 7 DT O5' 1 1 7 DT C5' 245.0 325.0 1 6 A O3' 1 7 T P 1 7 T O5' 1 7 T C5' 1 1
18 . 1 1 7 DT O3' 1 1 8 DT P 1 1 8 DT O5' 1 1 8 DT C5' 260.0 310.0 1 7 T O3' 1 8 T P 1 8 T O5' 1 8 T C5' 1 1
19 . 1 1 8 DT O3' 1 1 9 DT P 1 1 9 DT O5' 1 1 9 DT C5' 260.0 310.0 1 8 T O3' 1 9 T P 1 9 T O5' 1 9 T C5' 1 1
20 . 1 1 9 DT O3' 1 1 10 DA P 1 1 10 DA O5' 1 1 10 DA C5' 260.0 310.0 1 9 T O3' 1 10 A P 1 10 A O5' 1 10 A C5' 1 1
21 . 1 1 10 DA O3' 1 1 11 DNR P 1 1 11 DNR O5' 1 1 11 DNR C5' 260.0 310.0 1 10 A O3' 1 11 C P 1 11 C O5' 1 11 C C5' 1 1
22 . 1 1 11 DNR O3' 1 1 12 DNR P 1 1 12 DNR O5' 1 1 12 DNR C5' 260.0 310.0 1 11 C O3' 1 12 C P 1 12 C O5' 1 12 C C5' 1 1
23 . 2 2 1 DC P 2 2 1 DC O5' 2 2 1 DC C5' 2 2 1 DC C4' 150.0 210.0 B 1 C P B 1 C O5' B 1 C C5' B 1 C C4' 1 1
24 . 2 2 2 DC P 2 2 2 DC O5' 2 2 2 DC C5' 2 2 2 DC C4' 150.0 210.0 B 2 C P B 2 C O5' B 2 C C5' B 2 C C4' 1 1
25 . 2 2 3 DT P 2 2 3 DT O5' 2 2 3 DT C5' 2 2 3 DT C4' 150.0 210.0 B 3 T P B 3 T O5' B 3 T C5' B 3 T C4' 1 1
26 . 2 2 4 DA P 2 2 4 DA O5' 2 2 4 DA C5' 2 2 4 DA C4' 150.0 210.0 B 4 A P B 4 A O5' B 4 A C5' B 4 A C4' 1 1
27 . 2 2 5 DT P 2 2 5 DT O5' 2 2 5 DT C5' 2 2 5 DT C4' 135.0 225.0 B 5 T P B 5 T O5' B 5 T C5' B 5 T C4' 1 1
28 . 2 2 6 DG P 2 2 6 DG O5' 2 2 6 DG C5' 2 2 6 DG C4' 135.0 225.0 B 6 G P B 6 G O5' B 6 G C5' B 6 G C4' 1 1
29 . 2 2 7 DA P 2 2 7 DA O5' 2 2 7 DA C5' 2 2 7 DA C4' 135.0 225.0 B 7 A P B 7 A O5' B 7 A C5' B 7 A C4' 1 1
30 . 2 2 8 DA P 2 2 8 DA O5' 2 2 8 DA C5' 2 2 8 DA C4' 150.0 210.0 B 8 A P B 8 A O5' B 8 A C5' B 8 A C4' 1 1
31 . 2 2 9 DA P 2 2 9 DA O5' 2 2 9 DA C5' 2 2 9 DA C4' 150.0 210.0 B 9 A P B 9 A O5' B 9 A C5' B 9 A C4' 1 1
32 . 2 2 10 DT P 2 2 10 DT O5' 2 2 10 DT C5' 2 2 10 DT C4' 150.0 210.0 B 10 T P B 10 T O5' B 10 T C5' B 10 T C4' 1 1
33 . 2 2 11 DC P 2 2 11 DC O5' 2 2 11 DC C5' 2 2 11 DC C4' 150.0 210.0 B 11 C P B 11 C O5' B 11 C C5' B 11 C C4' 1 1
34 . 2 2 12 DC P 2 2 12 DC O5' 2 2 12 DC C5' 2 2 12 DC C4' 150.0 210.0 B 12 C P B 12 C O5' B 12 C C5' B 12 C C4' 1 1
35 . 1 1 1 DNR P 1 1 1 DNR O5' 1 1 1 DNR C5' 1 1 1 DNR C4' 150.0 210.0 1 1 C P 1 1 C O5' 1 1 C C5' 1 1 C C4' 1 1
36 . 1 1 2 DNR P 1 1 2 DNR O5' 1 1 2 DNR C5' 1 1 2 DNR C4' 150.0 210.0 1 2 C P 1 2 C O5' 1 2 C C5' 1 2 C C4' 1 1
37 . 1 1 3 DA P 1 1 3 DA O5' 1 1 3 DA C5' 1 1 3 DA C4' 150.0 210.0 1 3 A P 1 3 A O5' 1 3 A C5' 1 3 A C4' 1 1
38 . 1 1 4 DT P 1 1 4 DT O5' 1 1 4 DT C5' 1 1 4 DT C4' 150.0 210.0 1 4 T P 1 4 T O5' 1 4 T C5' 1 4 T C4' 1 1
39 . 1 1 5 DA P 1 1 5 DA O5' 1 1 5 DA C5' 1 1 5 DA C4' 135.0 225.0 1 5 A P 1 5 A O5' 1 5 A C5' 1 5 A C4' 1 1
40 . 1 1 6 DA P 1 1 6 DA O5' 1 1 6 DA C5' 1 1 6 DA C4' 135.0 225.0 1 6 A P 1 6 A O5' 1 6 A C5' 1 6 A C4' 1 1
41 . 1 1 7 DT P 1 1 7 DT O5' 1 1 7 DT C5' 1 1 7 DT C4' 135.0 225.0 1 7 T P 1 7 T O5' 1 7 T C5' 1 7 T C4' 1 1
42 . 1 1 8 DT P 1 1 8 DT O5' 1 1 8 DT C5' 1 1 8 DT C4' 150.0 210.0 1 8 T P 1 8 T O5' 1 8 T C5' 1 8 T C4' 1 1
43 . 1 1 9 DT P 1 1 9 DT O5' 1 1 9 DT C5' 1 1 9 DT C4' 150.0 210.0 1 9 T P 1 9 T O5' 1 9 T C5' 1 9 T C4' 1 1
44 . 1 1 10 DA P 1 1 10 DA O5' 1 1 10 DA C5' 1 1 10 DA C4' 150.0 210.0 1 10 A P 1 10 A O5' 1 10 A C5' 1 10 A C4' 1 1
45 . 1 1 11 DNR P 1 1 11 DNR O5' 1 1 11 DNR C5' 1 1 11 DNR C4' 150.0 210.0 1 11 C P 1 11 C O5' 1 11 C C5' 1 11 C C4' 1 1
46 . 1 1 12 DNR P 1 1 12 DNR O5' 1 1 12 DNR C5' 1 1 12 DNR C4' 150.0 210.0 1 12 C P 1 12 C O5' 1 12 C C5' 1 12 C C4' 1 1
47 . 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 C O5' B 1 C C5' B 1 C C4' B 1 C C3' 1 1
48 . 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 1
49 . 2 2 3 DT O5' 2 2 3 DT C5' 2 2 3 DT C4' 2 2 3 DT C3' 30.0 89.99999 B 3 T O5' B 3 T C5' B 3 T C4' B 3 T C3' 1 1
50 . 2 2 4 DA O5' 2 2 4 DA C5' 2 2 4 DA C4' 2 2 4 DA C3' 30.0 89.99999 B 4 A O5' B 4 A C5' B 4 A C4' B 4 A C3' 1 1
51 . 2 2 5 DT O5' 2 2 5 DT C5' 2 2 5 DT C4' 2 2 5 DT C3' 15.0 105.0 B 5 T O5' B 5 T C5' B 5 T C4' B 5 T C3' 1 1
52 . 2 2 6 DG O5' 2 2 6 DG C5' 2 2 6 DG C4' 2 2 6 DG C3' 15.0 105.0 B 6 G O5' B 6 G C5' B 6 G C4' B 6 G C3' 1 1
53 . 2 2 7 DA O5' 2 2 7 DA C5' 2 2 7 DA C4' 2 2 7 DA C3' 15.0 105.0 B 7 A O5' B 7 A C5' B 7 A C4' B 7 A C3' 1 1
54 . 2 2 8 DA O5' 2 2 8 DA C5' 2 2 8 DA C4' 2 2 8 DA C3' 30.0 89.99999 B 8 A O5' B 8 A C5' B 8 A C4' B 8 A C3' 1 1
55 . 2 2 9 DA O5' 2 2 9 DA C5' 2 2 9 DA C4' 2 2 9 DA C3' 30.0 89.99999 B 9 A O5' B 9 A C5' B 9 A C4' B 9 A C3' 1 1
56 . 2 2 10 DT O5' 2 2 10 DT C5' 2 2 10 DT C4' 2 2 10 DT C3' 30.0 89.99999 B 10 T O5' B 10 T C5' B 10 T C4' B 10 T C3' 1 1
57 . 2 2 11 DC O5' 2 2 11 DC C5' 2 2 11 DC C4' 2 2 11 DC C3' 30.0 89.99999 B 11 C O5' B 11 C C5' B 11 C C4' B 11 C C3' 1 1
58 . 2 2 12 DC O5' 2 2 12 DC C5' 2 2 12 DC C4' 2 2 12 DC C3' 30.0 89.99999 B 12 C O5' B 12 C C5' B 12 C C4' B 12 C C3' 1 1
59 . 1 1 1 DNR O5' 1 1 1 DNR C5' 1 1 1 DNR C4' 1 1 1 DNR C3' 30.0 89.99999 1 1 C O5' 1 1 C C5' 1 1 C C4' 1 1 C C3' 1 1
60 . 1 1 2 DNR O5' 1 1 2 DNR C5' 1 1 2 DNR C4' 1 1 2 DNR C3' 30.0 89.99999 1 2 C O5' 1 2 C C5' 1 2 C C4' 1 2 C C3' 1 1
61 . 1 1 3 DA O5' 1 1 3 DA C5' 1 1 3 DA C4' 1 1 3 DA C3' 30.0 89.99999 1 3 A O5' 1 3 A C5' 1 3 A C4' 1 3 A C3' 1 1
62 . 1 1 4 DT O5' 1 1 4 DT C5' 1 1 4 DT C4' 1 1 4 DT C3' 30.0 89.99999 1 4 T O5' 1 4 T C5' 1 4 T C4' 1 4 T C3' 1 1
63 . 1 1 5 DA O5' 1 1 5 DA C5' 1 1 5 DA C4' 1 1 5 DA C3' 15.0 105.0 1 5 A O5' 1 5 A C5' 1 5 A C4' 1 5 A C3' 1 1
64 . 1 1 6 DA O5' 1 1 6 DA C5' 1 1 6 DA C4' 1 1 6 DA C3' 15.0 105.0 1 6 A O5' 1 6 A C5' 1 6 A C4' 1 6 A C3' 1 1
65 . 1 1 7 DT O5' 1 1 7 DT C5' 1 1 7 DT C4' 1 1 7 DT C3' 15.0 105.0 1 7 T O5' 1 7 T C5' 1 7 T C4' 1 7 T C3' 1 1
66 . 1 1 8 DT O5' 1 1 8 DT C5' 1 1 8 DT C4' 1 1 8 DT C3' 30.0 89.99999 1 8 T O5' 1 8 T C5' 1 8 T C4' 1 8 T C3' 1 1
67 . 1 1 9 DT O5' 1 1 9 DT C5' 1 1 9 DT C4' 1 1 9 DT C3' 30.0 89.99999 1 9 T O5' 1 9 T C5' 1 9 T C4' 1 9 T C3' 1 1
68 . 1 1 10 DA O5' 1 1 10 DA C5' 1 1 10 DA C4' 1 1 10 DA C3' 30.0 89.99999 1 10 A O5' 1 10 A C5' 1 10 A C4' 1 10 A C3' 1 1
69 . 1 1 11 DNR O5' 1 1 11 DNR C5' 1 1 11 DNR C4' 1 1 11 DNR C3' 30.0 89.99999 1 11 C O5' 1 11 C C5' 1 11 C C4' 1 11 C C3' 1 1
70 . 1 1 12 DNR O5' 1 1 12 DNR C5' 1 1 12 DNR C4' 1 1 12 DNR C3' 30.0 89.99999 1 12 C O5' 1 12 C C5' 1 12 C C4' 1 12 C C3' 1 1
71 . 2 2 1 DC C5' 2 2 1 DC C4' 2 2 1 DC C3' 2 2 1 DC O3' 130.0 160.0 B 1 C C5' B 1 C C4' B 1 C C3' B 1 C O3' 1 1
72 . 2 2 2 DC C5' 2 2 2 DC C4' 2 2 2 DC C3' 2 2 2 DC O3' 130.0 160.0 B 2 C C5' B 2 C C4' B 2 C C3' B 2 C O3' 1 1
73 . 2 2 3 DT C5' 2 2 3 DT C4' 2 2 3 DT C3' 2 2 3 DT O3' 130.0 160.0 B 3 T C5' B 3 T C4' B 3 T C3' B 3 T O3' 1 1
74 . 2 2 4 DA C5' 2 2 4 DA C4' 2 2 4 DA C3' 2 2 4 DA O3' 130.0 160.0 B 4 A C5' B 4 A C4' B 4 A C3' B 4 A O3' 1 1
75 . 2 2 5 DT C5' 2 2 5 DT C4' 2 2 5 DT C3' 2 2 5 DT O3' 115.00001 174.99998 B 5 T C5' B 5 T C4' B 5 T C3' B 5 T O3' 1 1
76 . 2 2 6 DG C5' 2 2 6 DG C4' 2 2 6 DG C3' 2 2 6 DG O3' 115.00001 174.99998 B 6 G C5' B 6 G C4' B 6 G C3' B 6 G O3' 1 1
77 . 2 2 7 DA C5' 2 2 7 DA C4' 2 2 7 DA C3' 2 2 7 DA O3' 115.00001 174.99998 B 7 A C5' B 7 A C4' B 7 A C3' B 7 A O3' 1 1
78 . 2 2 8 DA C5' 2 2 8 DA C4' 2 2 8 DA C3' 2 2 8 DA O3' 130.0 160.0 B 8 A C5' B 8 A C4' B 8 A C3' B 8 A O3' 1 1
79 . 2 2 9 DA C5' 2 2 9 DA C4' 2 2 9 DA C3' 2 2 9 DA O3' 130.0 160.0 B 9 A C5' B 9 A C4' B 9 A C3' B 9 A O3' 1 1
80 . 2 2 10 DT C5' 2 2 10 DT C4' 2 2 10 DT C3' 2 2 10 DT O3' 130.0 160.0 B 10 T C5' B 10 T C4' B 10 T C3' B 10 T O3' 1 1
81 . 2 2 11 DC C5' 2 2 11 DC C4' 2 2 11 DC C3' 2 2 11 DC O3' 130.0 160.0 B 11 C C5' B 11 C C4' B 11 C C3' B 11 C O3' 1 1
82 . 2 2 12 DC C5' 2 2 12 DC C4' 2 2 12 DC C3' 2 2 12 DC O3' 130.0 160.0 B 12 C C5' B 12 C C4' B 12 C C3' B 12 C O3' 1 1
83 . 1 1 1 DNR C5' 1 1 1 DNR C4' 1 1 1 DNR C3' 1 1 1 DNR O3' 130.0 160.0 1 1 C C5' 1 1 C C4' 1 1 C C3' 1 1 C O3' 1 1
84 . 1 1 2 DNR C5' 1 1 2 DNR C4' 1 1 2 DNR C3' 1 1 2 DNR O3' 130.0 160.0 1 2 C C5' 1 2 C C4' 1 2 C C3' 1 2 C O3' 1 1
85 . 1 1 3 DA C5' 1 1 3 DA C4' 1 1 3 DA C3' 1 1 3 DA O3' 130.0 160.0 1 3 A C5' 1 3 A C4' 1 3 A C3' 1 3 A O3' 1 1
86 . 1 1 4 DT C5' 1 1 4 DT C4' 1 1 4 DT C3' 1 1 4 DT O3' 130.0 160.0 1 4 T C5' 1 4 T C4' 1 4 T C3' 1 4 T O3' 1 1
87 . 1 1 5 DA C5' 1 1 5 DA C4' 1 1 5 DA C3' 1 1 5 DA O3' 115.00001 174.99998 1 5 A C5' 1 5 A C4' 1 5 A C3' 1 5 A O3' 1 1
88 . 1 1 6 DA C5' 1 1 6 DA C4' 1 1 6 DA C3' 1 1 6 DA O3' 115.00001 174.99998 1 6 A C5' 1 6 A C4' 1 6 A C3' 1 6 A O3' 1 1
89 . 1 1 7 DT C5' 1 1 7 DT C4' 1 1 7 DT C3' 1 1 7 DT O3' 115.00001 174.99998 1 7 T C5' 1 7 T C4' 1 7 T C3' 1 7 T O3' 1 1
90 . 1 1 8 DT C5' 1 1 8 DT C4' 1 1 8 DT C3' 1 1 8 DT O3' 130.0 160.0 1 8 T C5' 1 8 T C4' 1 8 T C3' 1 8 T O3' 1 1
91 . 1 1 9 DT C5' 1 1 9 DT C4' 1 1 9 DT C3' 1 1 9 DT O3' 130.0 160.0 1 9 T C5' 1 9 T C4' 1 9 T C3' 1 9 T O3' 1 1
92 . 1 1 10 DA C5' 1 1 10 DA C4' 1 1 10 DA C3' 1 1 10 DA O3' 130.0 160.0 1 10 A C5' 1 10 A C4' 1 10 A C3' 1 10 A O3' 1 1
93 . 1 1 11 DNR C5' 1 1 11 DNR C4' 1 1 11 DNR C3' 1 1 11 DNR O3' 130.0 160.0 1 11 C C5' 1 11 C C4' 1 11 C C3' 1 11 C O3' 1 1
94 . 1 1 12 DNR C5' 1 1 12 DNR C4' 1 1 12 DNR C3' 1 1 12 DNR O3' 130.0 160.0 1 12 C C5' 1 12 C C4' 1 12 C C3' 1 12 C O3' 1 1
95 . 2 2 1 DC C4' 2 2 1 DC C3' 2 2 1 DC O3' 2 2 2 DC P 179.99998 240.0 B 1 C C4' B 1 C C3' B 1 C O3' B 2 C P 1 1
96 . 2 2 2 DC C4' 2 2 2 DC C3' 2 2 2 DC O3' 2 2 3 DT P 179.99998 240.0 B 2 C C4' B 2 C C3' B 2 C O3' B 3 T P 1 1
97 . 2 2 3 DT C4' 2 2 3 DT C3' 2 2 3 DT O3' 2 2 4 DA P 179.99998 240.0 B 3 T C4' B 3 T C3' B 3 T O3' B 4 A P 1 1
98 . 2 2 4 DA C4' 2 2 4 DA C3' 2 2 4 DA O3' 2 2 5 DT P 165.0 255.0 B 4 A C4' B 4 A C3' B 4 A O3' B 5 T P 1 1
99 . 2 2 5 DT C4' 2 2 5 DT C3' 2 2 5 DT O3' 2 2 6 DG P 165.0 255.0 B 5 T C4' B 5 T C3' B 5 T O3' B 6 G P 1 1
100 . 2 2 6 DG C4' 2 2 6 DG C3' 2 2 6 DG O3' 2 2 7 DA P 165.0 255.0 B 6 G C4' B 6 G C3' B 6 G O3' B 7 A P 1 1
101 . 2 2 7 DA C4' 2 2 7 DA C3' 2 2 7 DA O3' 2 2 8 DA P 179.99998 240.0 B 7 A C4' B 7 A C3' B 7 A O3' B 8 A P 1 1
102 . 2 2 8 DA C4' 2 2 8 DA C3' 2 2 8 DA O3' 2 2 9 DA P 179.99998 240.0 B 8 A C4' B 8 A C3' B 8 A O3' B 9 A P 1 1
103 . 2 2 9 DA C4' 2 2 9 DA C3' 2 2 9 DA O3' 2 2 10 DT P 179.99998 240.0 B 9 A C4' B 9 A C3' B 9 A O3' B 10 T P 1 1
104 . 2 2 10 DT C4' 2 2 10 DT C3' 2 2 10 DT O3' 2 2 11 DC P 179.99998 240.0 B 10 T C4' B 10 T C3' B 10 T O3' B 11 C P 1 1
105 . 2 2 11 DC C4' 2 2 11 DC C3' 2 2 11 DC O3' 2 2 12 DC P 179.99998 240.0 B 11 C C4' B 11 C C3' B 11 C O3' B 12 C P 1 1
106 . 1 1 1 DNR C4' 1 1 1 DNR C3' 1 1 1 DNR O3' 1 1 2 DNR P 179.99998 240.0 1 1 C C4' 1 1 C C3' 1 1 C O3' 1 2 C P 1 1
107 . 1 1 2 DNR C4' 1 1 2 DNR C3' 1 1 2 DNR O3' 1 1 3 DA P 179.99998 240.0 1 2 C C4' 1 2 C C3' 1 2 C O3' 1 3 A P 1 1
108 . 1 1 3 DA C4' 1 1 3 DA C3' 1 1 3 DA O3' 1 1 4 DT P 179.99998 240.0 1 3 A C4' 1 3 A C3' 1 3 A O3' 1 4 T P 1 1
109 . 1 1 4 DT C4' 1 1 4 DT C3' 1 1 4 DT O3' 1 1 5 DA P 165.0 255.0 1 4 T C4' 1 4 T C3' 1 4 T O3' 1 5 A P 1 1
110 . 1 1 5 DA C4' 1 1 5 DA C3' 1 1 5 DA O3' 1 1 6 DA P 165.0 255.0 1 5 A C4' 1 5 A C3' 1 5 A O3' 1 6 A P 1 1
111 . 1 1 6 DA C4' 1 1 6 DA C3' 1 1 6 DA O3' 1 1 7 DT P 165.0 255.0 1 6 A C4' 1 6 A C3' 1 6 A O3' 1 7 T P 1 1
112 . 1 1 7 DT C4' 1 1 7 DT C3' 1 1 7 DT O3' 1 1 8 DT P 179.99998 240.0 1 7 T C4' 1 7 T C3' 1 7 T O3' 1 8 T P 1 1
113 . 1 1 8 DT C4' 1 1 8 DT C3' 1 1 8 DT O3' 1 1 9 DT P 179.99998 240.0 1 8 T C4' 1 8 T C3' 1 8 T O3' 1 9 T P 1 1
114 . 1 1 9 DT C4' 1 1 9 DT C3' 1 1 9 DT O3' 1 1 10 DA P 179.99998 240.0 1 9 T C4' 1 9 T C3' 1 9 T O3' 1 10 A P 1 1
115 . 1 1 10 DA C4' 1 1 10 DA C3' 1 1 10 DA O3' 1 1 11 DNR P 179.99998 240.0 1 10 A C4' 1 10 A C3' 1 10 A O3' 1 11 C P 1 1
116 . 1 1 11 DNR C4' 1 1 11 DNR C3' 1 1 11 DNR O3' 1 1 12 DNR P 179.99998 240.0 1 11 C C4' 1 11 C C3' 1 11 C O3' 1 12 C P 1 1
117 . 2 2 1 DC C3' 2 2 1 DC O3' 2 2 2 DC P 2 2 2 DC O5' 260.0 310.0 B 1 C C3' B 1 C O3' B 2 C P B 2 C O5' 1 1
118 . 2 2 2 DC C3' 2 2 2 DC O3' 2 2 3 DT P 2 2 3 DT O5' 260.0 310.0 B 2 C C3' B 2 C O3' B 3 T P B 3 T O5' 1 1
119 . 2 2 3 DT C3' 2 2 3 DT O3' 2 2 4 DA P 2 2 4 DA O5' 260.0 310.0 B 3 T C3' B 3 T O3' B 4 A P B 4 A O5' 1 1
120 . 2 2 4 DA C3' 2 2 4 DA O3' 2 2 5 DT P 2 2 5 DT O5' 245.0 325.0 B 4 A C3' B 4 A O3' B 5 T P B 5 T O5' 1 1
121 . 2 2 5 DT C3' 2 2 5 DT O3' 2 2 6 DG P 2 2 6 DG O5' 245.0 325.0 B 5 T C3' B 5 T O3' B 6 G P B 6 G O5' 1 1
122 . 2 2 6 DG C3' 2 2 6 DG O3' 2 2 7 DA P 2 2 7 DA O5' 245.0 325.0 B 6 G C3' B 6 G O3' B 7 A P B 7 A O5' 1 1
123 . 2 2 7 DA C3' 2 2 7 DA O3' 2 2 8 DA P 2 2 8 DA O5' 260.0 310.0 B 7 A C3' B 7 A O3' B 8 A P B 8 A O5' 1 1
124 . 2 2 8 DA C3' 2 2 8 DA O3' 2 2 9 DA P 2 2 9 DA O5' 260.0 310.0 B 8 A C3' B 8 A O3' B 9 A P B 9 A O5' 1 1
125 . 2 2 9 DA C3' 2 2 9 DA O3' 2 2 10 DT P 2 2 10 DT O5' 260.0 310.0 B 9 A C3' B 9 A O3' B 10 T P B 10 T O5' 1 1
126 . 2 2 10 DT C3' 2 2 10 DT O3' 2 2 11 DC P 2 2 11 DC O5' 260.0 310.0 B 10 T C3' B 10 T O3' B 11 C P B 11 C O5' 1 1
127 . 2 2 11 DC C3' 2 2 11 DC O3' 2 2 12 DC P 2 2 12 DC O5' 260.0 310.0 B 11 C C3' B 11 C O3' B 12 C P B 12 C O5' 1 1
128 . 1 1 1 DNR C3' 1 1 1 DNR O3' 1 1 2 DNR P 1 1 2 DNR O5' 260.0 310.0 1 1 C C3' 1 1 C O3' 1 2 C P 1 2 C O5' 1 1
129 . 1 1 2 DNR C3' 1 1 2 DNR O3' 1 1 3 DA P 1 1 3 DA O5' 260.0 310.0 1 2 C C3' 1 2 C O3' 1 3 A P 1 3 A O5' 1 1
130 . 1 1 3 DA C3' 1 1 3 DA O3' 1 1 4 DT P 1 1 4 DT O5' 260.0 310.0 1 3 A C3' 1 3 A O3' 1 4 T P 1 4 T O5' 1 1
131 . 1 1 4 DT C3' 1 1 4 DT O3' 1 1 5 DA P 1 1 5 DA O5' 245.0 325.0 1 4 T C3' 1 4 T O3' 1 5 A P 1 5 A O5' 1 1
132 . 1 1 5 DA C3' 1 1 5 DA O3' 1 1 6 DA P 1 1 6 DA O5' 245.0 325.0 1 5 A C3' 1 5 A O3' 1 6 A P 1 6 A O5' 1 1
133 . 1 1 6 DA C3' 1 1 6 DA O3' 1 1 7 DT P 1 1 7 DT O5' 245.0 325.0 1 6 A C3' 1 6 A O3' 1 7 T P 1 7 T O5' 1 1
134 . 1 1 7 DT C3' 1 1 7 DT O3' 1 1 8 DT P 1 1 8 DT O5' 260.0 310.0 1 7 T C3' 1 7 T O3' 1 8 T P 1 8 T O5' 1 1
135 . 1 1 8 DT C3' 1 1 8 DT O3' 1 1 9 DT P 1 1 9 DT O5' 260.0 310.0 1 8 T C3' 1 8 T O3' 1 9 T P 1 9 T O5' 1 1
136 . 1 1 9 DT C3' 1 1 9 DT O3' 1 1 10 DA P 1 1 10 DA O5' 260.0 310.0 1 9 T C3' 1 9 T O3' 1 10 A P 1 10 A O5' 1 1
137 . 1 1 10 DA C3' 1 1 10 DA O3' 1 1 11 DNR P 1 1 11 DNR O5' 260.0 310.0 1 10 A C3' 1 10 A O3' 1 11 C P 1 11 C O5' 1 1
138 . 1 1 11 DNR C3' 1 1 11 DNR O3' 1 1 12 DNR P 1 1 12 DNR O5' 260.0 310.0 1 11 C C3' 1 11 C O3' 1 12 C P 1 12 C O5' 1 1
139 . 2 2 1 DC O4' 2 2 1 DC C1' 2 2 1 DC N1 2 2 1 DC C6 40.0 80.0 B 1 C O4' B 1 C C1' B 1 C N1 B 1 C C6 1 1
140 . 2 2 2 DC O4' 2 2 2 DC C1' 2 2 2 DC N1 2 2 2 DC C6 40.0 80.0 B 2 C O4' B 2 C C1' B 2 C N1 B 2 C C6 1 1
141 . 2 2 3 DT O4' 2 2 3 DT C1' 2 2 3 DT N1 2 2 3 DT C6 40.0 80.0 B 3 T O4' B 3 T C1' B 3 T N1 B 3 T C6 1 1
142 . 2 2 4 DA O4' 2 2 4 DA C1' 2 2 4 DA N9 2 2 4 DA C8 40.0 80.0 B 4 A O4' B 4 A C1' B 4 A N9 B 4 A C8 1 1
143 . 2 2 5 DT O4' 2 2 5 DT C1' 2 2 5 DT N1 2 2 5 DT C6 25.0 95.0 B 5 T O4' B 5 T C1' B 5 T N1 B 5 T C6 1 1
144 . 2 2 6 DG O4' 2 2 6 DG C1' 2 2 6 DG N9 2 2 6 DG C8 25.0 95.0 B 6 G O4' B 6 G C1' B 6 G N9 B 6 G C8 1 1
145 . 2 2 7 DA O4' 2 2 7 DA C1' 2 2 7 DA N9 2 2 7 DA C8 25.0 95.0 B 7 A O4' B 7 A C1' B 7 A N9 B 7 A C8 1 1
146 . 2 2 8 DA O4' 2 2 8 DA C1' 2 2 8 DA N9 2 2 8 DA C8 40.0 80.0 B 8 A O4' B 8 A C1' B 8 A N9 B 8 A C8 1 1
147 . 2 2 9 DA O4' 2 2 9 DA C1' 2 2 9 DA N9 2 2 9 DA C8 40.0 80.0 B 9 A O4' B 9 A C1' B 9 A N9 B 9 A C8 1 1
148 . 2 2 10 DT O4' 2 2 10 DT C1' 2 2 10 DT N1 2 2 10 DT C6 40.0 80.0 B 10 T O4' B 10 T C1' B 10 T N1 B 10 T C6 1 1
149 . 2 2 11 DC O4' 2 2 11 DC C1' 2 2 11 DC N1 2 2 11 DC C6 40.0 80.0 B 11 C O4' B 11 C C1' B 11 C N1 B 11 C C6 1 1
150 . 2 2 12 DC O4' 2 2 12 DC C1' 2 2 12 DC N1 2 2 12 DC C6 40.0 80.0 B 12 C O4' B 12 C C1' B 12 C N1 B 12 C C6 1 1
151 . 1 1 1 DNR O4' 1 1 1 DNR C1' 1 1 1 DNR N1 1 1 1 DNR C6 40.0 80.0 1 1 C O4' 1 1 C C1' 1 1 C N1 1 1 C C6 1 1
152 . 1 1 2 DNR O4' 1 1 2 DNR C1' 1 1 2 DNR N1 1 1 2 DNR C6 40.0 80.0 1 2 C O4' 1 2 C C1' 1 2 C N1 1 2 C C6 1 1
153 . 1 1 3 DA O4' 1 1 3 DA C1' 1 1 3 DA N9 1 1 3 DA C8 40.0 80.0 1 3 A O4' 1 3 A C1' 1 3 A N9 1 3 A C8 1 1
154 . 1 1 4 DT O4' 1 1 4 DT C1' 1 1 4 DT N1 1 1 4 DT C6 40.0 80.0 1 4 T O4' 1 4 T C1' 1 4 T N1 1 4 T C6 1 1
155 . 1 1 5 DA O4' 1 1 5 DA C1' 1 1 5 DA N9 1 1 5 DA C8 25.0 95.0 1 5 A O4' 1 5 A C1' 1 5 A N9 1 5 A C8 1 1
156 . 1 1 6 DA O4' 1 1 6 DA C1' 1 1 6 DA N9 1 1 6 DA C8 25.0 95.0 1 6 A O4' 1 6 A C1' 1 6 A N9 1 6 A C8 1 1
157 . 1 1 7 DT O4' 1 1 7 DT C1' 1 1 7 DT N1 1 1 7 DT C6 25.0 95.0 1 7 T O4' 1 7 T C1' 1 7 T N1 1 7 T C6 1 1
158 . 1 1 8 DT O4' 1 1 8 DT C1' 1 1 8 DT N1 1 1 8 DT C6 40.0 80.0 1 8 T O4' 1 8 T C1' 1 8 T N1 1 8 T C6 1 1
159 . 1 1 9 DT O4' 1 1 9 DT C1' 1 1 9 DT N1 1 1 9 DT C6 40.0 80.0 1 9 T O4' 1 9 T C1' 1 9 T N1 1 9 T C6 1 1
160 . 1 1 10 DA O4' 1 1 10 DA C1' 1 1 10 DA N9 1 1 10 DA C8 40.0 80.0 1 10 A O4' 1 10 A C1' 1 10 A N9 1 10 A C8 1 1
161 . 1 1 11 DNR O4' 1 1 11 DNR C1' 1 1 11 DNR N1 1 1 11 DNR C6 40.0 80.0 1 11 C O4' 1 11 C C1' 1 11 C N1 1 11 C C6 1 1
162 . 1 1 12 DNR O4' 1 1 12 DNR C1' 1 1 12 DNR N1 1 1 12 DNR C6 40.0 80.0 1 12 C O4' 1 12 C C1' 1 12 C N1 1 12 C C6 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 DNR C1' C -5.448 -4.088 -1.098 1.00 . A A . 1 DNR C1' 1 1
1 2 1 1 1 DNR C2 C -4.166 -2.534 0.337 1.00 . A A . 1 DNR C2 1 1
1 3 1 1 1 DNR C2' C -6.541 -4.959 -0.508 1.00 . A A . 1 DNR C2' 1 1
1 4 1 1 1 DNR C3' C -6.943 -5.852 -1.686 1.00 . A A . 1 DNR C3' 1 1
1 5 1 1 1 DNR C4 C -4.900 -0.304 0.626 1.00 . A A . 1 DNR C4 1 1
1 6 1 1 1 DNR C4' C -6.676 -4.935 -2.901 1.00 . A A . 1 DNR C4' 1 1
1 7 1 1 1 DNR C5 C -6.062 -0.543 -0.033 1.00 . A A . 1 DNR C5 1 1
1 8 1 1 1 DNR C5' C -7.875 -4.429 -3.740 1.00 . A A . 1 DNR C5' 1 1
1 9 1 1 1 DNR C6 C -6.298 -1.784 -0.535 1.00 . A A . 1 DNR C6 1 1
1 10 1 1 1 DNR H1' H -4.517 -4.680 -1.120 1.00 . A A . 1 DNR H1' 1 1
1 11 1 1 1 DNR H2' H -7.398 -4.339 -0.214 1.00 . A A . 1 DNR H2' 1 1
1 12 1 1 1 DNR H2'' H -6.189 -5.541 0.351 1.00 . A A . 1 DNR H2'' 1 1
1 13 1 1 1 DNR H3' H -8.009 -6.130 -1.629 1.00 . A A . 1 DNR H3' 1 1
1 14 1 1 1 DNR H4' H -6.045 -5.509 -3.591 1.00 . A A . 1 DNR H4' 1 1
1 15 1 1 1 DNR H41 H -5.071 1.182 2.020 1.00 . A A . 1 DNR H41 1 1
1 16 1 1 1 DNR H42 H -3.595 1.198 1.132 1.00 . A A . 1 DNR H42 1 1
1 17 1 1 1 DNR H5 H -6.792 0.243 -0.161 1.00 . A A . 1 DNR H5 1 1
1 18 1 1 1 DNR H5' H -7.466 -3.792 -4.526 1.00 . A A . 1 DNR H5' 1 1
1 19 1 1 1 DNR H5'' H -8.348 -5.300 -4.195 1.00 . A A . 1 DNR H5'' 1 1
1 20 1 1 1 DNR H6 H -7.225 -2.002 -1.051 1.00 . A A . 1 DNR H6 1 1
1 21 1 1 1 DNR HN3 H -3.118 -1.092 1.313 1.00 . A A . 1 DNR HN3 1 1
1 22 1 1 1 DNR N1 N -5.268 -2.831 -0.384 1.00 . A A . 1 DNR N1 1 1
1 23 1 1 1 DNR N3 N -3.979 -1.300 0.824 1.00 . A A . 1 DNR N3 1 1
1 24 1 1 1 DNR N4 N -4.600 0.990 1.147 1.00 . A A . 1 DNR N4 1 1
1 25 1 1 1 DNR O2 O -3.278 -3.363 0.509 1.00 . A A . 1 DNR O2 1 1
1 26 1 1 1 DNR O3' O -6.091 -7.005 -1.847 1.00 . A A . 1 DNR O3' 1 1
1 27 1 1 1 DNR O4' O -5.846 -3.855 -2.447 1.00 . A A . 1 DNR O4' 1 1
1 28 1 1 1 DNR O5' O -8.854 -3.697 -3.021 1.00 . A A . 1 DNR O5' 1 1
1 29 1 1 1 DNR OP1 O -10.918 -4.190 -4.342 1.00 . A A . 1 DNR OP1 1 1
1 30 1 1 1 DNR OP2 O -9.622 -2.056 -4.745 1.00 . A A . 1 DNR OP2 1 1
1 31 1 1 1 DNR P P -10.128 -3.065 -3.784 1.00 . A A . 1 DNR P 1 1
1 32 1 1 2 DNR C1' C -2.591 -6.047 2.738 1.00 . A A . 2 DNR C1' 1 1
1 33 1 1 2 DNR C2 C -3.066 -3.910 3.898 1.00 . A A . 2 DNR C2 1 1
1 34 1 1 2 DNR C2' C -2.872 -7.387 3.406 1.00 . A A . 2 DNR C2' 1 1
1 35 1 1 2 DNR C3' C -2.575 -8.435 2.321 1.00 . A A . 2 DNR C3' 1 1
1 36 1 1 2 DNR C4 C -5.215 -2.934 3.760 1.00 . A A . 2 DNR C4 1 1
1 37 1 1 2 DNR C4' C -2.680 -7.635 1.005 1.00 . A A . 2 DNR C4' 1 1
1 38 1 1 2 DNR C5 C -5.717 -3.998 3.087 1.00 . A A . 2 DNR C5 1 1
1 39 1 1 2 DNR C5' C -3.742 -8.038 -0.046 1.00 . A A . 2 DNR C5' 1 1
1 40 1 1 2 DNR C6 C -4.897 -5.038 2.788 1.00 . A A . 2 DNR C6 1 1
1 41 1 1 2 DNR H1' H -1.531 -5.793 2.907 1.00 . A A . 2 DNR H1' 1 1
1 42 1 1 2 DNR H2' H -3.931 -7.459 3.689 1.00 . A A . 2 DNR H2' 1 1
1 43 1 1 2 DNR H2'' H -2.259 -7.519 4.310 1.00 . A A . 2 DNR H2'' 1 1
1 44 1 1 2 DNR H3' H -3.328 -9.240 2.340 1.00 . A A . 2 DNR H3' 1 1
1 45 1 1 2 DNR H4' H -1.713 -7.729 0.492 1.00 . A A . 2 DNR H4' 1 1
1 46 1 1 2 DNR H41 H -6.470 -1.935 5.025 1.00 . A A . 2 DNR H41 1 1
1 47 1 1 2 DNR H42 H -5.531 -0.953 4.027 1.00 . A A . 2 DNR H42 1 1
1 48 1 1 2 DNR H5 H -6.757 -4.021 2.789 1.00 . A A . 2 DNR H5 1 1
1 49 1 1 2 DNR H5' H -3.541 -7.429 -0.929 1.00 . A A . 2 DNR H5' 1 1
1 50 1 1 2 DNR H5'' H -3.569 -9.086 -0.298 1.00 . A A . 2 DNR H5'' 1 1
1 51 1 1 2 DNR H6 H -5.283 -5.898 2.256 1.00 . A A . 2 DNR H6 1 1
1 52 1 1 2 DNR HN3 H -3.551 -2.085 4.650 1.00 . A A . 2 DNR HN3 1 1
1 53 1 1 2 DNR N1 N -3.478 -4.982 3.189 1.00 . A A . 2 DNR N1 1 1
1 54 1 1 2 DNR N3 N -3.902 -2.895 4.156 1.00 . A A . 2 DNR N3 1 1
1 55 1 1 2 DNR N4 N -6.042 -1.826 4.106 1.00 . A A . 2 DNR N4 1 1
1 56 1 1 2 DNR O2 O -1.913 -3.830 4.316 1.00 . A A . 2 DNR O2 1 1
1 57 1 1 2 DNR O3' O -1.232 -8.956 2.363 1.00 . A A . 2 DNR O3' 1 1
1 58 1 1 2 DNR O4' O -2.766 -6.251 1.339 1.00 . A A . 2 DNR O4' 1 1
1 59 1 1 2 DNR O5' O -5.099 -7.856 0.337 1.00 . A A . 2 DNR O5' 1 1
1 60 1 1 2 DNR OP1 O -5.924 -9.434 -1.409 1.00 . A A . 2 DNR OP1 1 1
1 61 1 1 2 DNR OP2 O -7.596 -8.022 -0.096 1.00 . A A . 2 DNR OP2 1 1
1 62 1 1 2 DNR P P -6.272 -8.163 -0.729 1.00 . A A . 2 DNR P 1 1
1 63 1 1 3 DA C1' C 0.866 -5.919 6.870 1.00 . A A . 3 DA C1' 1 1
1 64 1 1 3 DA C2 C -1.169 -2.152 7.331 1.00 . A A . 3 DA C2 1 1
1 65 1 1 3 DA C2' C 1.563 -7.086 7.564 1.00 . A A . 3 DA C2' 1 1
1 66 1 1 3 DA C3' C 2.408 -7.696 6.451 1.00 . A A . 3 DA C3' 1 1
1 67 1 1 3 DA C4 C -0.986 -4.367 7.507 1.00 . A A . 3 DA C4 1 1
1 68 1 1 3 DA C4' C 1.628 -7.259 5.189 1.00 . A A . 3 DA C4' 1 1
1 69 1 1 3 DA C5 C -2.333 -4.570 7.546 1.00 . A A . 3 DA C5 1 1
1 70 1 1 3 DA C5' C 1.127 -8.374 4.250 1.00 . A A . 3 DA C5' 1 1
1 71 1 1 3 DA C6 C -3.066 -3.392 7.335 1.00 . A A . 3 DA C6 1 1
1 72 1 1 3 DA C8 C -1.472 -6.485 7.705 1.00 . A A . 3 DA C8 1 1
1 73 1 1 3 DA H1' H 1.520 -5.048 6.726 1.00 . A A . 3 DA H1' 1 1
1 74 1 1 3 DA H2 H -0.715 -1.175 7.260 1.00 . A A . 3 DA H2 1 1
1 75 1 1 3 DA H2' H 0.850 -7.846 7.877 1.00 . A A . 3 DA H2' 1 1
1 76 1 1 3 DA H2'' H 2.123 -6.770 8.437 1.00 . A A . 3 DA H2'' 1 1
1 77 1 1 3 DA H3' H 2.455 -8.783 6.546 1.00 . A A . 3 DA H3' 1 1
1 78 1 1 3 DA H4' H 2.293 -6.631 4.592 1.00 . A A . 3 DA H4' 1 1
1 79 1 1 3 DA H5' H 0.980 -7.893 3.280 1.00 . A A . 3 DA H5' 1 1
1 80 1 1 3 DA H5'' H 1.910 -9.127 4.142 1.00 . A A . 3 DA H5'' 1 1
1 81 1 1 3 DA H61 H -4.779 -2.481 6.887 1.00 . A A . 3 DA H61 1 1
1 82 1 1 3 DA H62 H -4.870 -4.219 7.207 1.00 . A A . 3 DA H62 1 1
1 83 1 1 3 DA H8 H -1.367 -7.559 7.774 1.00 . A A . 3 DA H8 1 1
1 84 1 1 3 DA N1 N -2.487 -2.204 7.227 1.00 . A A . 3 DA N1 1 1
1 85 1 1 3 DA N3 N -0.333 -3.178 7.398 1.00 . A A . 3 DA N3 1 1
1 86 1 1 3 DA N6 N -4.355 -3.363 7.098 1.00 . A A . 3 DA N6 1 1
1 87 1 1 3 DA N7 N -2.648 -5.926 7.705 1.00 . A A . 3 DA N7 1 1
1 88 1 1 3 DA N9 N -0.429 -5.613 7.488 1.00 . A A . 3 DA N9 1 1
1 89 1 1 3 DA O3' O 3.705 -7.135 6.377 1.00 . A A . 3 DA O3' 1 1
1 90 1 1 3 DA O4' O 0.563 -6.415 5.587 1.00 . A A . 3 DA O4' 1 1
1 91 1 1 3 DA O5' O -0.098 -8.991 4.636 1.00 . A A . 3 DA O5' 1 1
1 92 1 1 3 DA OP1 O 0.077 -10.940 3.078 1.00 . A A . 3 DA OP1 1 1
1 93 1 1 3 DA OP2 O -2.147 -10.425 4.209 1.00 . A A . 3 DA OP2 1 1
1 94 1 1 3 DA P P -0.889 -9.944 3.604 1.00 . A A . 3 DA P 1 1
1 95 1 1 4 DT C1' C 2.396 -3.164 10.290 1.00 . A A . 4 DT C1' 1 1
1 96 1 1 4 DT C2 C -0.112 -2.982 10.515 1.00 . A A . 4 DT C2 1 1
1 97 1 1 4 DT C2' C 3.616 -3.776 11.042 1.00 . A A . 4 DT C2' 1 1
1 98 1 1 4 DT C3' C 4.781 -3.424 10.127 1.00 . A A . 4 DT C3' 1 1
1 99 1 1 4 DT C4 C -1.339 -4.960 11.148 1.00 . A A . 4 DT C4 1 1
1 100 1 1 4 DT C4' C 4.130 -3.399 8.741 1.00 . A A . 4 DT C4' 1 1
1 101 1 1 4 DT C5 C -0.095 -5.714 10.992 1.00 . A A . 4 DT C5 1 1
1 102 1 1 4 DT C5' C 4.532 -4.603 7.855 1.00 . A A . 4 DT C5' 1 1
1 103 1 1 4 DT C6 C 0.992 -5.121 10.462 1.00 . A A . 4 DT C6 1 1
1 104 1 1 4 DT C7 C 0.381 -6.624 12.101 1.00 . A A . 4 DT C7 1 1
1 105 1 1 4 DT H1' H 2.264 -2.230 10.770 1.00 . A A . 4 DT H1' 1 1
1 106 1 1 4 DT H2' H 3.594 -4.857 11.081 1.00 . A A . 4 DT H2' 1 1
1 107 1 1 4 DT H2'' H 3.866 -3.452 12.061 1.00 . A A . 4 DT H2'' 1 1
1 108 1 1 4 DT H3 H -2.119 -3.137 10.940 1.00 . A A . 4 DT H3 1 1
1 109 1 1 4 DT H3' H 5.509 -4.210 10.198 1.00 . A A . 4 DT H3' 1 1
1 110 1 1 4 DT H4' H 4.479 -2.521 8.194 1.00 . A A . 4 DT H4' 1 1
1 111 1 1 4 DT H5' H 3.953 -4.540 6.932 1.00 . A A . 4 DT H5' 1 1
1 112 1 1 4 DT H5'' H 5.586 -4.467 7.602 1.00 . A A . 4 DT H5'' 1 1
1 113 1 1 4 DT H6 H 1.896 -5.713 10.431 1.00 . A A . 4 DT H6 1 1
1 114 1 1 4 DT H71 H 1.078 -5.920 12.630 1.00 . A A . 4 DT H71 1 1
1 115 1 1 4 DT H72 H -0.442 -6.951 12.741 1.00 . A A . 4 DT H72 1 1
1 116 1 1 4 DT H73 H 0.899 -7.496 11.690 1.00 . A A . 4 DT H73 1 1
1 117 1 1 4 DT N1 N 1.047 -3.769 10.343 1.00 . A A . 4 DT N1 1 1
1 118 1 1 4 DT N3 N -1.255 -3.644 10.835 1.00 . A A . 4 DT N3 1 1
1 119 1 1 4 DT O2 O -0.228 -1.769 10.411 1.00 . A A . 4 DT O2 1 1
1 120 1 1 4 DT O3' O 5.377 -2.161 10.324 1.00 . A A . 4 DT O3' 1 1
1 121 1 1 4 DT O4 O -2.409 -5.396 11.533 1.00 . A A . 4 DT O4 1 1
1 122 1 1 4 DT O4' O 2.728 -3.199 8.910 1.00 . A A . 4 DT O4' 1 1
1 123 1 1 4 DT O5' O 4.392 -5.897 8.434 1.00 . A A . 4 DT O5' 1 1
1 124 1 1 4 DT OP1 O 6.100 -7.063 6.976 1.00 . A A . 4 DT OP1 1 1
1 125 1 1 4 DT OP2 O 4.454 -8.438 8.358 1.00 . A A . 4 DT OP2 1 1
1 126 1 1 4 DT P P 4.756 -7.220 7.578 1.00 . A A . 4 DT P 1 1
1 127 1 1 5 DA C1' C 2.171 0.528 13.614 1.00 . A A . 5 DA C1' 1 1
1 128 1 1 5 DA C2 C -2.184 -0.065 13.319 1.00 . A A . 5 DA C2 1 1
1 129 1 1 5 DA C2' C 3.274 0.843 14.635 1.00 . A A . 5 DA C2' 1 1
1 130 1 1 5 DA C3' C 4.372 1.557 13.847 1.00 . A A . 5 DA C3' 1 1
1 131 1 1 5 DA C4 C -0.082 -0.685 13.772 1.00 . A A . 5 DA C4 1 1
1 132 1 1 5 DA C4' C 4.055 1.057 12.423 1.00 . A A . 5 DA C4' 1 1
1 133 1 1 5 DA C5 C -0.438 -1.993 13.991 1.00 . A A . 5 DA C5 1 1
1 134 1 1 5 DA C5' C 5.258 0.424 11.704 1.00 . A A . 5 DA C5' 1 1
1 135 1 1 5 DA C6 C -1.819 -2.251 13.778 1.00 . A A . 5 DA C6 1 1
1 136 1 1 5 DA C8 C 1.640 -1.856 14.416 1.00 . A A . 5 DA C8 1 1
1 137 1 1 5 DA H1' H 1.596 1.421 13.356 1.00 . A A . 5 DA H1' 1 1
1 138 1 1 5 DA H2 H -2.895 0.690 13.028 1.00 . A A . 5 DA H2 1 1
1 139 1 1 5 DA H2' H 3.710 -0.072 15.031 1.00 . A A . 5 DA H2' 1 1
1 140 1 1 5 DA H2'' H 2.931 1.454 15.455 1.00 . A A . 5 DA H2'' 1 1
1 141 1 1 5 DA H3' H 5.367 1.231 14.163 1.00 . A A . 5 DA H3' 1 1
1 142 1 1 5 DA H4' H 3.741 1.912 11.821 1.00 . A A . 5 DA H4' 1 1
1 143 1 1 5 DA H5' H 4.937 0.268 10.671 1.00 . A A . 5 DA H5' 1 1
1 144 1 1 5 DA H5'' H 6.090 1.131 11.691 1.00 . A A . 5 DA H5'' 1 1
1 145 1 1 5 DA H61 H -3.380 -3.504 13.590 1.00 . A A . 5 DA H61 1 1
1 146 1 1 5 DA H62 H -1.874 -4.229 14.117 1.00 . A A . 5 DA H62 1 1
1 147 1 1 5 DA H8 H 2.642 -2.105 14.732 1.00 . A A . 5 DA H8 1 1
1 148 1 1 5 DA N1 N -2.668 -1.289 13.448 1.00 . A A . 5 DA N1 1 1
1 149 1 1 5 DA N3 N -0.919 0.331 13.431 1.00 . A A . 5 DA N3 1 1
1 150 1 1 5 DA N6 N -2.416 -3.423 13.869 1.00 . A A . 5 DA N6 1 1
1 151 1 1 5 DA N7 N 0.674 -2.739 14.419 1.00 . A A . 5 DA N7 1 1
1 152 1 1 5 DA N9 N 1.280 -0.606 13.978 1.00 . A A . 5 DA N9 1 1
1 153 1 1 5 DA O3' O 4.244 2.971 13.894 1.00 . A A . 5 DA O3' 1 1
1 154 1 1 5 DA O4' O 2.938 0.167 12.486 1.00 . A A . 5 DA O4' 1 1
1 155 1 1 5 DA O5' O 5.689 -0.793 12.302 1.00 . A A . 5 DA O5' 1 1
1 156 1 1 5 DA OP1 O 7.630 -1.188 10.766 1.00 . A A . 5 DA OP1 1 1
1 157 1 1 5 DA OP2 O 6.741 -3.088 12.225 1.00 . A A . 5 DA OP2 1 1
1 158 1 1 5 DA P P 6.491 -1.868 11.431 1.00 . A A . 5 DA P 1 1
1 159 1 1 6 DA C1' C 0.088 4.683 16.515 1.00 . A A . 6 DA C1' 1 1
1 160 1 1 6 DA C2 C -2.824 1.462 16.542 1.00 . A A . 6 DA C2 1 1
1 161 1 1 6 DA C2' C 0.750 5.729 17.423 1.00 . A A . 6 DA C2' 1 1
1 162 1 1 6 DA C3' C 1.176 6.806 16.434 1.00 . A A . 6 DA C3' 1 1
1 163 1 1 6 DA C4 C -0.795 2.360 16.906 1.00 . A A . 6 DA C4 1 1
1 164 1 1 6 DA C4' C 1.417 5.985 15.146 1.00 . A A . 6 DA C4' 1 1
1 165 1 1 6 DA C5 C -0.213 1.149 17.129 1.00 . A A . 6 DA C5 1 1
1 166 1 1 6 DA C5' C 2.876 5.631 14.776 1.00 . A A . 6 DA C5' 1 1
1 167 1 1 6 DA C6 C -1.102 0.075 16.995 1.00 . A A . 6 DA C6 1 1
1 168 1 1 6 DA C8 C 1.374 2.535 17.157 1.00 . A A . 6 DA C8 1 1
1 169 1 1 6 DA H1' H -0.962 4.957 16.399 1.00 . A A . 6 DA H1' 1 1
1 170 1 1 6 DA H2 H -3.871 1.581 16.311 1.00 . A A . 6 DA H2 1 1
1 171 1 1 6 DA H2' H 1.649 5.422 17.941 1.00 . A A . 6 DA H2' 1 1
1 172 1 1 6 DA H2'' H 0.053 6.066 18.186 1.00 . A A . 6 DA H2'' 1 1
1 173 1 1 6 DA H3' H 2.091 7.314 16.749 1.00 . A A . 6 DA H3' 1 1
1 174 1 1 6 DA H4' H 1.031 6.559 14.302 1.00 . A A . 6 DA H4' 1 1
1 175 1 1 6 DA H5' H 2.836 5.245 13.753 1.00 . A A . 6 DA H5' 1 1
1 176 1 1 6 DA H5'' H 3.482 6.538 14.769 1.00 . A A . 6 DA H5'' 1 1
1 177 1 1 6 DA H61 H -1.360 -1.747 16.418 1.00 . A A . 6 DA H61 1 1
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1 321 1 1 11 DNR C2' C -4.584 -4.724 36.017 1.00 . A A . 11 DNR C2' 1 1
1 322 1 1 11 DNR C3' C -4.683 -6.230 35.785 1.00 . A A . 11 DNR C3' 1 1
1 323 1 1 11 DNR C4 C -5.619 -0.182 34.050 1.00 . A A . 11 DNR C4 1 1
1 324 1 1 11 DNR C4' C -5.391 -6.271 34.402 1.00 . A A . 11 DNR C4' 1 1
1 325 1 1 11 DNR C5 C -6.295 -0.895 34.992 1.00 . A A . 11 DNR C5 1 1
1 326 1 1 11 DNR C5' C -6.922 -6.490 34.350 1.00 . A A . 11 DNR C5' 1 1
1 327 1 1 11 DNR C6 C -5.982 -2.207 35.168 1.00 . A A . 11 DNR C6 1 1
1 328 1 1 11 DNR H1' H -3.328 -4.265 34.353 1.00 . A A . 11 DNR H1' 1 1
1 329 1 1 11 DNR H2' H -5.539 -4.411 36.447 1.00 . A A . 11 DNR H2' 1 1
1 330 1 1 11 DNR H2'' H -3.759 -4.449 36.684 1.00 . A A . 11 DNR H2'' 1 1
1 331 1 1 11 DNR H3' H -5.311 -6.702 36.554 1.00 . A A . 11 DNR H3' 1 1
1 332 1 1 11 DNR H4' H -4.922 -7.065 33.804 1.00 . A A . 11 DNR H4' 1 1
1 333 1 1 11 DNR H41 H -6.882 1.310 33.562 1.00 . A A . 11 DNR H41 1 1
1 334 1 1 11 DNR H42 H -5.384 1.447 32.903 1.00 . A A . 11 DNR H42 1 1
1 335 1 1 11 DNR H5 H -7.080 -0.441 35.576 1.00 . A A . 11 DNR H5 1 1
1 336 1 1 11 DNR H5' H -7.164 -6.618 33.291 1.00 . A A . 11 DNR H5' 1 1
1 337 1 1 11 DNR H5'' H -7.165 -7.415 34.871 1.00 . A A . 11 DNR H5'' 1 1
1 338 1 1 11 DNR H6 H -6.574 -2.805 35.849 1.00 . A A . 11 DNR H6 1 1
1 339 1 1 11 DNR HN3 H -4.165 -0.233 32.589 1.00 . A A . 11 DNR HN3 1 1
1 340 1 1 11 DNR N1 N -4.870 -2.810 34.390 1.00 . A A . 11 DNR N1 1 1
1 341 1 1 11 DNR N3 N -4.661 -0.774 33.290 1.00 . A A . 11 DNR N3 1 1
1 342 1 1 11 DNR N4 N -5.901 1.187 33.761 1.00 . A A . 11 DNR N4 1 1
1 343 1 1 11 DNR O2 O -3.442 -2.485 32.680 1.00 . A A . 11 DNR O2 1 1
1 344 1 1 11 DNR O3' O -3.400 -6.890 35.682 1.00 . A A . 11 DNR O3' 1 1
1 345 1 1 11 DNR O4' O -5.081 -5.043 33.742 1.00 . A A . 11 DNR O4' 1 1
1 346 1 1 11 DNR O5' O -7.686 -5.409 34.882 1.00 . A A . 11 DNR O5' 1 1
1 347 1 1 11 DNR OP1 O -9.845 -6.633 34.795 1.00 . A A . 11 DNR OP1 1 1
1 348 1 1 11 DNR OP2 O -9.807 -4.130 35.279 1.00 . A A . 11 DNR OP2 1 1
1 349 1 1 11 DNR P P -9.259 -5.294 34.548 1.00 . A A . 11 DNR P 1 1
1 350 1 1 12 DNR C1' C 0.640 -2.648 35.946 1.00 . A A . 12 DNR C1' 1 1
1 351 1 1 12 DNR C2 C -0.067 -0.301 36.186 1.00 . A A . 12 DNR C2 1 1
1 352 1 1 12 DNR C2' C 0.874 -3.408 37.238 1.00 . A A . 12 DNR C2' 1 1
1 353 1 1 12 DNR C3' C 1.369 -4.761 36.737 1.00 . A A . 12 DNR C3' 1 1
1 354 1 1 12 DNR C4 C -2.364 0.256 36.285 1.00 . A A . 12 DNR C4 1 1
1 355 1 1 12 DNR C4' C 0.639 -4.930 35.395 1.00 . A A . 12 DNR C4' 1 1
1 356 1 1 12 DNR C5 C -2.735 -1.046 36.277 1.00 . A A . 12 DNR C5 1 1
1 357 1 1 12 DNR C5' C -0.561 -5.904 35.449 1.00 . A A . 12 DNR C5' 1 1
1 358 1 1 12 DNR C6 C -1.781 -2.008 36.191 1.00 . A A . 12 DNR C6 1 1
1 359 1 1 12 DNR H1' H 1.597 -2.238 35.581 1.00 . A A . 12 DNR H1' 1 1
1 360 1 1 12 DNR H2' H -0.085 -3.548 37.758 1.00 . A A . 12 DNR H2' 1 1
1 361 1 1 12 DNR H2'' H 1.600 -2.895 37.883 1.00 . A A . 12 DNR H2'' 1 1
1 362 1 1 12 DNR H3' H 1.085 -5.565 37.431 1.00 . A A . 12 DNR H3' 1 1
1 363 1 1 12 DNR H4' H 1.340 -5.284 34.625 1.00 . A A . 12 DNR H4' 1 1
1 364 1 1 12 DNR H41 H -3.907 1.346 35.502 1.00 . A A . 12 DNR H41 1 1
1 365 1 1 12 DNR H42 H -2.986 2.136 36.791 1.00 . A A . 12 DNR H42 1 1
1 366 1 1 12 DNR H5 H -3.775 -1.317 36.344 1.00 . A A . 12 DNR H5 1 1
1 367 1 1 12 DNR H5' H -1.160 -5.755 34.547 1.00 . A A . 12 DNR H5' 1 1
1 368 1 1 12 DNR H5'' H -0.140 -6.911 35.418 1.00 . A A . 12 DNR H5'' 1 1
1 369 1 1 12 DNR H6 H -2.056 -3.054 36.174 1.00 . A A . 12 DNR H6 1 1
1 370 1 1 12 DNR HN3 H -0.784 1.582 36.267 1.00 . A A . 12 DNR HN3 1 1
1 371 1 1 12 DNR N1 N -0.362 -1.612 36.112 1.00 . A A . 12 DNR N1 1 1
1 372 1 1 12 DNR N3 N -1.044 0.611 36.236 1.00 . A A . 12 DNR N3 1 1
1 373 1 1 12 DNR N4 N -3.336 1.298 36.340 1.00 . A A . 12 DNR N4 1 1
1 374 1 1 12 DNR O2 O 1.098 0.096 36.231 1.00 . A A . 12 DNR O2 1 1
1 375 1 1 12 DNR O3' O 2.783 -4.734 36.546 1.00 . A A . 12 DNR O3' 1 1
1 376 1 1 12 DNR O4' O 0.226 -3.618 34.999 1.00 . A A . 12 DNR O4' 1 1
1 377 1 1 12 DNR O5' O -1.360 -5.743 36.622 1.00 . A A . 12 DNR O5' 1 1
1 378 1 1 12 DNR OP1 O -1.745 -8.133 37.133 1.00 . A A . 12 DNR OP1 1 1
1 379 1 1 12 DNR OP2 O -3.225 -6.351 38.183 1.00 . A A . 12 DNR OP2 1 1
1 380 1 1 12 DNR P P -2.467 -6.846 37.011 1.00 . A A . 12 DNR P 1 1
1 381 2 2 1 DC C1' C 0.728 1.463 0.331 1.00 . B B . 1 DC C1' 1 1
1 382 2 2 1 DC C2 C -0.824 -0.268 1.103 1.00 . B B . 1 DC C2 1 1
1 383 2 2 1 DC C2' C 1.583 2.330 1.247 1.00 . B B . 1 DC C2' 1 1
1 384 2 2 1 DC C3' C 2.095 3.370 0.261 1.00 . B B . 1 DC C3' 1 1
1 385 2 2 1 DC C4 C -0.173 -2.413 1.530 1.00 . B B . 1 DC C4 1 1
1 386 2 2 1 DC C4' C 2.254 2.522 -1.019 1.00 . B B . 1 DC C4' 1 1
1 387 2 2 1 DC C5 C 1.189 -2.119 1.269 1.00 . B B . 1 DC C5 1 1
1 388 2 2 1 DC C5' C 3.704 2.132 -1.366 1.00 . B B . 1 DC C5' 1 1
1 389 2 2 1 DC C6 C 1.484 -0.843 0.929 1.00 . B B . 1 DC C6 1 1
1 390 2 2 1 DC H1' H -0.186 2.016 0.102 1.00 . B B . 1 DC H1' 1 1
1 391 2 2 1 DC H2' H 2.436 1.804 1.669 1.00 . B B . 1 DC H2' 1 1
1 392 2 2 1 DC H2'' H 1.008 2.771 2.056 1.00 . B B . 1 DC H2'' 1 1
1 393 2 2 1 DC H3' H 3.046 3.809 0.572 1.00 . B B . 1 DC H3' 1 1
1 394 2 2 1 DC H4' H 1.873 3.092 -1.868 1.00 . B B . 1 DC H4' 1 1
1 395 2 2 1 DC H41 H -1.577 -3.717 1.440 1.00 . B B . 1 DC H41 1 1
1 396 2 2 1 DC H42 H 0.052 -4.401 1.674 1.00 . B B . 1 DC H42 1 1
1 397 2 2 1 DC H5 H 1.956 -2.871 1.323 1.00 . B B . 1 DC H5 1 1
1 398 2 2 1 DC H5' H 3.678 1.551 -2.291 1.00 . B B . 1 DC H5' 1 1
1 399 2 2 1 DC H5'' H 4.275 3.045 -1.544 1.00 . B B . 1 DC H5'' 1 1
1 400 2 2 1 DC H6 H 2.505 -0.603 0.655 1.00 . B B . 1 DC H6 1 1
1 401 2 2 1 DC N1 N 0.490 0.104 0.861 1.00 . B B . 1 DC N1 1 1
1 402 2 2 1 DC N3 N -1.136 -1.544 1.378 1.00 . B B . 1 DC N3 1 1
1 403 2 2 1 DC N4 N -0.573 -3.639 1.527 1.00 . B B . 1 DC N4 1 1
1 404 2 2 1 DC O2 O -1.752 0.531 1.045 1.00 . B B . 1 DC O2 1 1
1 405 2 2 1 DC O3' O 1.114 4.360 0.015 1.00 . B B . 1 DC O3' 1 1
1 406 2 2 1 DC O4' O 1.451 1.355 -0.880 1.00 . B B . 1 DC O4' 1 1
1 407 2 2 1 DC O5' O 4.336 1.375 -0.350 1.00 . B B . 1 DC O5' 1 1
1 408 2 2 1 DC OP1 O 6.729 1.855 -0.874 1.00 . B B . 1 DC OP1 1 1
1 409 2 2 1 DC OP2 O 5.668 -0.332 -1.587 1.00 . B B . 1 DC OP2 1 1
1 410 2 2 1 DC P P 5.797 0.741 -0.572 1.00 . B B . 1 DC P 1 1
1 411 2 2 2 DC C1' C -3.197 2.766 3.403 1.00 . B B . 2 DC C1' 1 1
1 412 2 2 2 DC C2 C -2.886 0.464 4.162 1.00 . B B . 2 DC C2 1 1
1 413 2 2 2 DC C2' C -3.165 4.121 4.093 1.00 . B B . 2 DC C2' 1 1
1 414 2 2 2 DC C3' C -3.629 5.024 2.954 1.00 . B B . 2 DC C3' 1 1
1 415 2 2 2 DC C4 C -0.825 -0.450 4.491 1.00 . B B . 2 DC C4 1 1
1 416 2 2 2 DC C4' C -3.032 4.318 1.718 1.00 . B B . 2 DC C4' 1 1
1 417 2 2 2 DC C5 C -0.169 0.773 4.220 1.00 . B B . 2 DC C5 1 1
1 418 2 2 2 DC C5' C -1.817 4.997 1.050 1.00 . B B . 2 DC C5' 1 1
1 419 2 2 2 DC C6 C -0.955 1.847 3.977 1.00 . B B . 2 DC C6 1 1
1 420 2 2 2 DC H1' H -4.253 2.492 3.372 1.00 . B B . 2 DC H1' 1 1
1 421 2 2 2 DC H2' H -2.173 4.434 4.402 1.00 . B B . 2 DC H2' 1 1
1 422 2 2 2 DC H2'' H -3.833 4.147 4.955 1.00 . B B . 2 DC H2'' 1 1
1 423 2 2 2 DC H3' H -3.269 6.050 3.059 1.00 . B B . 2 DC H3' 1 1
1 424 2 2 2 DC H4' H -3.794 4.298 0.935 1.00 . B B . 2 DC H4' 1 1
1 425 2 2 2 DC H41 H -0.742 -2.346 4.686 1.00 . B B . 2 DC H41 1 1
1 426 2 2 2 DC H42 H 0.817 -1.518 4.824 1.00 . B B . 2 DC H42 1 1
1 427 2 2 2 DC H5 H 0.904 0.862 4.211 1.00 . B B . 2 DC H5 1 1
1 428 2 2 2 DC H5' H -1.670 4.499 0.089 1.00 . B B . 2 DC H5' 1 1
1 429 2 2 2 DC H5'' H -2.084 6.038 0.856 1.00 . B B . 2 DC H5'' 1 1
1 430 2 2 2 DC H6 H -0.482 2.785 3.716 1.00 . B B . 2 DC H6 1 1
1 431 2 2 2 DC N1 N -2.323 1.720 3.978 1.00 . B B . 2 DC N1 1 1
1 432 2 2 2 DC N3 N -2.120 -0.613 4.403 1.00 . B B . 2 DC N3 1 1
1 433 2 2 2 DC N4 N -0.144 -1.544 4.548 1.00 . B B . 2 DC N4 1 1
1 434 2 2 2 DC O2 O -4.096 0.286 4.042 1.00 . B B . 2 DC O2 1 1
1 435 2 2 2 DC O3' O -5.032 4.966 2.788 1.00 . B B . 2 DC O3' 1 1
1 436 2 2 2 DC O4' O -2.776 2.964 2.068 1.00 . B B . 2 DC O4' 1 1
1 437 2 2 2 DC O5' O -0.596 4.952 1.774 1.00 . B B . 2 DC O5' 1 1
1 438 2 2 2 DC OP1 O 0.453 6.717 0.314 1.00 . B B . 2 DC OP1 1 1
1 439 2 2 2 DC OP2 O 1.851 5.522 2.085 1.00 . B B . 2 DC OP2 1 1
1 440 2 2 2 DC P P 0.763 5.494 1.091 1.00 . B B . 2 DC P 1 1
1 441 2 2 3 DT C1' C -7.447 1.269 6.188 1.00 . B B . 3 DT C1' 1 1
1 442 2 2 3 DT C2 C -5.700 -0.114 7.165 1.00 . B B . 3 DT C2 1 1
1 443 2 2 3 DT C2' C -8.443 2.329 6.625 1.00 . B B . 3 DT C2' 1 1
1 444 2 2 3 DT C3' C -9.187 2.559 5.324 1.00 . B B . 3 DT C3' 1 1
1 445 2 2 3 DT C4 C -3.679 0.822 8.102 1.00 . B B . 3 DT C4 1 1
1 446 2 2 3 DT C4' C -8.077 2.304 4.283 1.00 . B B . 3 DT C4' 1 1
1 447 2 2 3 DT C5 C -4.260 2.150 7.929 1.00 . B B . 3 DT C5 1 1
1 448 2 2 3 DT C5' C -7.587 3.570 3.557 1.00 . B B . 3 DT C5' 1 1
1 449 2 2 3 DT C6 C -5.509 2.272 7.406 1.00 . B B . 3 DT C6 1 1
1 450 2 2 3 DT C7 C -3.482 3.415 8.306 1.00 . B B . 3 DT C7 1 1
1 451 2 2 3 DT H1' H -8.036 0.367 6.037 1.00 . B B . 3 DT H1' 1 1
1 452 2 2 3 DT H2' H -7.974 3.265 6.912 1.00 . B B . 3 DT H2' 1 1
1 453 2 2 3 DT H2'' H -9.101 1.997 7.421 1.00 . B B . 3 DT H2'' 1 1
1 454 2 2 3 DT H3 H -3.999 -1.102 7.811 1.00 . B B . 3 DT H3 1 1
1 455 2 2 3 DT H3' H -9.555 3.575 5.283 1.00 . B B . 3 DT H3' 1 1
1 456 2 2 3 DT H4' H -8.461 1.592 3.554 1.00 . B B . 3 DT H4' 1 1
1 457 2 2 3 DT H5' H -6.973 3.231 2.720 1.00 . B B . 3 DT H5' 1 1
1 458 2 2 3 DT H5'' H -8.451 4.104 3.157 1.00 . B B . 3 DT H5'' 1 1
1 459 2 2 3 DT H6 H -5.883 3.270 7.222 1.00 . B B . 3 DT H6 1 1
1 460 2 2 3 DT H71 H -3.485 4.133 7.484 1.00 . B B . 3 DT H71 1 1
1 461 2 2 3 DT H72 H -3.934 3.872 9.188 1.00 . B B . 3 DT H72 1 1
1 462 2 2 3 DT H73 H -2.444 3.171 8.550 1.00 . B B . 3 DT H73 1 1
1 463 2 2 3 DT N1 N -6.243 1.155 7.040 1.00 . B B . 3 DT N1 1 1
1 464 2 2 3 DT N3 N -4.484 -0.219 7.757 1.00 . B B . 3 DT N3 1 1
1 465 2 2 3 DT O2 O -6.189 -1.129 6.682 1.00 . B B . 3 DT O2 1 1
1 466 2 2 3 DT O3' O -10.236 1.636 5.098 1.00 . B B . 3 DT O3' 1 1
1 467 2 2 3 DT O4 O -2.538 0.571 8.447 1.00 . B B . 3 DT O4 1 1
1 468 2 2 3 DT O4' O -6.991 1.644 4.912 1.00 . B B . 3 DT O4' 1 1
1 469 2 2 3 DT O5' O -6.825 4.434 4.391 1.00 . B B . 3 DT O5' 1 1
1 470 2 2 3 DT OP1 O -6.999 6.459 2.913 1.00 . B B . 3 DT OP1 1 1
1 471 2 2 3 DT OP2 O -5.291 6.395 4.817 1.00 . B B . 3 DT OP2 1 1
1 472 2 2 3 DT P P -6.058 5.699 3.768 1.00 . B B . 3 DT P 1 1
1 473 2 2 4 DA C1' C -9.057 -2.419 9.250 1.00 . B B . 4 DA C1' 1 1
1 474 2 2 4 DA C2 C -4.996 -3.945 9.997 1.00 . B B . 4 DA C2 1 1
1 475 2 2 4 DA C2' C -10.414 -2.071 9.868 1.00 . B B . 4 DA C2' 1 1
1 476 2 2 4 DA C3' C -11.412 -2.235 8.712 1.00 . B B . 4 DA C3' 1 1
1 477 2 2 4 DA C4 C -6.620 -2.413 10.022 1.00 . B B . 4 DA C4 1 1
1 478 2 2 4 DA C4' C -10.482 -2.025 7.498 1.00 . B B . 4 DA C4' 1 1
1 479 2 2 4 DA C5 C -5.765 -1.406 10.394 1.00 . B B . 4 DA C5 1 1
1 480 2 2 4 DA C5' C -10.976 -0.974 6.480 1.00 . B B . 4 DA C5' 1 1
1 481 2 2 4 DA C6 C -4.401 -1.809 10.438 1.00 . B B . 4 DA C6 1 1
1 482 2 2 4 DA C8 C -7.730 -0.606 10.502 1.00 . B B . 4 DA C8 1 1
1 483 2 2 4 DA H1' H -8.973 -3.501 9.121 1.00 . B B . 4 DA H1' 1 1
1 484 2 2 4 DA H2 H -4.661 -4.954 9.905 1.00 . B B . 4 DA H2 1 1
1 485 2 2 4 DA H2' H -10.445 -1.022 10.153 1.00 . B B . 4 DA H2' 1 1
1 486 2 2 4 DA H2'' H -10.636 -2.677 10.741 1.00 . B B . 4 DA H2'' 1 1
1 487 2 2 4 DA H3' H -12.188 -1.466 8.753 1.00 . B B . 4 DA H3' 1 1
1 488 2 2 4 DA H4' H -10.423 -2.966 6.946 1.00 . B B . 4 DA H4' 1 1
1 489 2 2 4 DA H5' H -10.251 -0.954 5.663 1.00 . B B . 4 DA H5' 1 1
1 490 2 2 4 DA H5'' H -11.930 -1.322 6.079 1.00 . B B . 4 DA H5'' 1 1
1 491 2 2 4 DA H61 H -2.422 -1.428 10.506 1.00 . B B . 4 DA H61 1 1
1 492 2 2 4 DA H62 H -3.496 -0.095 10.905 1.00 . B B . 4 DA H62 1 1
1 493 2 2 4 DA H8 H -8.562 0.031 10.765 1.00 . B B . 4 DA H8 1 1
1 494 2 2 4 DA N1 N -4.045 -3.068 10.251 1.00 . B B . 4 DA N1 1 1
1 495 2 2 4 DA N3 N -6.287 -3.711 9.792 1.00 . B B . 4 DA N3 1 1
1 496 2 2 4 DA N6 N -3.347 -1.046 10.626 1.00 . B B . 4 DA N6 1 1
1 497 2 2 4 DA N7 N -6.490 -0.242 10.697 1.00 . B B . 4 DA N7 1 1
1 498 2 2 4 DA N9 N -7.878 -1.856 9.956 1.00 . B B . 4 DA N9 1 1
1 499 2 2 4 DA O3' O -11.991 -3.524 8.613 1.00 . B B . 4 DA O3' 1 1
1 500 2 2 4 DA O4' O -9.158 -1.788 7.984 1.00 . B B . 4 DA O4' 1 1
1 501 2 2 4 DA O5' O -11.148 0.338 7.004 1.00 . B B . 4 DA O5' 1 1
1 502 2 2 4 DA OP1 O -12.666 1.147 5.160 1.00 . B B . 4 DA OP1 1 1
1 503 2 2 4 DA OP2 O -11.642 2.817 6.794 1.00 . B B . 4 DA OP2 1 1
1 504 2 2 4 DA P P -11.537 1.558 6.027 1.00 . B B . 4 DA P 1 1
1 505 2 2 5 DT C1' C -8.197 -4.815 12.730 1.00 . B B . 5 DT C1' 1 1
1 506 2 2 5 DT C2 C -6.103 -3.493 13.161 1.00 . B B . 5 DT C2 1 1
1 507 2 2 5 DT C2' C -9.308 -4.988 13.788 1.00 . B B . 5 DT C2' 1 1
1 508 2 2 5 DT C3' C -10.350 -5.882 13.086 1.00 . B B . 5 DT C3' 1 1
1 509 2 2 5 DT C4 C -6.299 -1.157 13.793 1.00 . B B . 5 DT C4 1 1
1 510 2 2 5 DT C4' C -9.940 -5.752 11.604 1.00 . B B . 5 DT C4' 1 1
1 511 2 2 5 DT C5 C -7.750 -1.285 13.592 1.00 . B B . 5 DT C5 1 1
1 512 2 2 5 DT C5' C -11.094 -5.638 10.584 1.00 . B B . 5 DT C5' 1 1
1 513 2 2 5 DT C6 C -8.248 -2.426 13.076 1.00 . B B . 5 DT C6 1 1
1 514 2 2 5 DT C7 C -8.808 -0.388 14.229 1.00 . B B . 5 DT C7 1 1
1 515 2 2 5 DT H1' H -7.542 -5.689 12.708 1.00 . B B . 5 DT H1' 1 1
1 516 2 2 5 DT H2' H -9.775 -4.030 14.104 1.00 . B B . 5 DT H2' 1 1
1 517 2 2 5 DT H2'' H -8.902 -5.439 14.682 1.00 . B B . 5 DT H2'' 1 1
1 518 2 2 5 DT H3 H -4.577 -2.164 13.420 1.00 . B B . 5 DT H3 1 1
1 519 2 2 5 DT H3' H -11.362 -5.505 13.253 1.00 . B B . 5 DT H3' 1 1
1 520 2 2 5 DT H4' H -9.400 -6.657 11.312 1.00 . B B . 5 DT H4' 1 1
1 521 2 2 5 DT H5' H -10.628 -5.497 9.606 1.00 . B B . 5 DT H5' 1 1
1 522 2 2 5 DT H5'' H -11.633 -6.588 10.563 1.00 . B B . 5 DT H5'' 1 1
1 523 2 2 5 DT H6 H -9.303 -2.494 12.841 1.00 . B B . 5 DT H6 1 1
1 524 2 2 5 DT H71 H -9.583 -1.081 14.614 1.00 . B B . 5 DT H71 1 1
1 525 2 2 5 DT H72 H -8.381 0.178 15.062 1.00 . B B . 5 DT H72 1 1
1 526 2 2 5 DT H73 H -9.236 0.298 13.498 1.00 . B B . 5 DT H73 1 1
1 527 2 2 5 DT N1 N -7.475 -3.537 12.905 1.00 . B B . 5 DT N1 1 1
1 528 2 2 5 DT N3 N -5.575 -2.272 13.457 1.00 . B B . 5 DT N3 1 1
1 529 2 2 5 DT O2 O -5.319 -4.426 13.093 1.00 . B B . 5 DT O2 1 1
1 530 2 2 5 DT O3' O -10.261 -7.259 13.398 1.00 . B B . 5 DT O3' 1 1
1 531 2 2 5 DT O4 O -5.690 -0.158 14.138 1.00 . B B . 5 DT O4 1 1
1 532 2 2 5 DT O4' O -8.952 -4.731 11.531 1.00 . B B . 5 DT O4' 1 1
1 533 2 2 5 DT O5' O -12.033 -4.604 10.847 1.00 . B B . 5 DT O5' 1 1
1 534 2 2 5 DT OP1 O -13.698 -5.275 9.088 1.00 . B B . 5 DT OP1 1 1
1 535 2 2 5 DT OP2 O -13.861 -2.983 10.192 1.00 . B B . 5 DT OP2 1 1
1 536 2 2 5 DT P P -13.028 -4.097 9.691 1.00 . B B . 5 DT P 1 1
1 537 2 2 6 DG C1' C -5.638 -7.134 16.683 1.00 . B B . 6 DG C1' 1 1
1 538 2 2 6 DG C2 C -2.991 -3.724 16.983 1.00 . B B . 6 DG C2 1 1
1 539 2 2 6 DG C2' C -6.351 -8.037 17.676 1.00 . B B . 6 DG C2' 1 1
1 540 2 2 6 DG C3' C -6.662 -9.273 16.841 1.00 . B B . 6 DG C3' 1 1
1 541 2 2 6 DG C4 C -4.989 -4.704 16.922 1.00 . B B . 6 DG C4 1 1
1 542 2 2 6 DG C4' C -6.668 -8.744 15.395 1.00 . B B . 6 DG C4' 1 1
1 543 2 2 6 DG C5 C -5.684 -3.519 16.946 1.00 . B B . 6 DG C5 1 1
1 544 2 2 6 DG C5' C -8.056 -8.736 14.733 1.00 . B B . 6 DG C5' 1 1
1 545 2 2 6 DG C6 C -4.907 -2.311 17.018 1.00 . B B . 6 DG C6 1 1
1 546 2 2 6 DG C8 C -7.135 -5.070 16.897 1.00 . B B . 6 DG C8 1 1
1 547 2 2 6 DG H1 H -3.032 -1.649 17.154 1.00 . B B . 6 DG H1 1 1
1 548 2 2 6 DG H1' H -4.589 -7.401 16.749 1.00 . B B . 6 DG H1' 1 1
1 549 2 2 6 DG H2' H -7.291 -7.592 17.999 1.00 . B B . 6 DG H2' 1 1
1 550 2 2 6 DG H2'' H -5.730 -8.242 18.545 1.00 . B B . 6 DG H2'' 1 1
1 551 2 2 6 DG H21 H -1.252 -3.099 17.679 1.00 . B B . 6 DG H21 1 1
1 552 2 2 6 DG H22 H -1.469 -4.797 17.277 1.00 . B B . 6 DG H22 1 1
1 553 2 2 6 DG H3' H -7.645 -9.616 17.112 1.00 . B B . 6 DG H3' 1 1
1 554 2 2 6 DG H4' H -6.037 -9.380 14.767 1.00 . B B . 6 DG H4' 1 1
1 555 2 2 6 DG H5' H -7.925 -8.342 13.722 1.00 . B B . 6 DG H5' 1 1
1 556 2 2 6 DG H5'' H -8.392 -9.772 14.657 1.00 . B B . 6 DG H5'' 1 1
1 557 2 2 6 DG H8 H -8.075 -5.602 16.870 1.00 . B B . 6 DG H8 1 1
1 558 2 2 6 DG N1 N -3.549 -2.507 17.069 1.00 . B B . 6 DG N1 1 1
1 559 2 2 6 DG N2 N -1.722 -3.831 17.188 1.00 . B B . 6 DG N2 1 1
1 560 2 2 6 DG N3 N -3.640 -4.866 16.943 1.00 . B B . 6 DG N3 1 1
1 561 2 2 6 DG N7 N -7.066 -3.766 16.914 1.00 . B B . 6 DG N7 1 1
1 562 2 2 6 DG N9 N -5.919 -5.704 16.894 1.00 . B B . 6 DG N9 1 1
1 563 2 2 6 DG O3' O -5.719 -10.322 16.945 1.00 . B B . 6 DG O3' 1 1
1 564 2 2 6 DG O4' O -6.111 -7.441 15.390 1.00 . B B . 6 DG O4' 1 1
1 565 2 2 6 DG O5' O -9.028 -7.966 15.429 1.00 . B B . 6 DG O5' 1 1
1 566 2 2 6 DG O6 O -5.286 -1.151 17.066 1.00 . B B . 6 DG O6 1 1
1 567 2 2 6 DG OP1 O -11.054 -9.230 14.673 1.00 . B B . 6 DG OP1 1 1
1 568 2 2 6 DG OP2 O -11.301 -6.880 15.643 1.00 . B B . 6 DG OP2 1 1
1 569 2 2 6 DG P P -10.524 -7.856 14.853 1.00 . B B . 6 DG P 1 1
1 570 2 2 7 DA C1' C -2.423 -7.123 20.400 1.00 . B B . 7 DA C1' 1 1
1 571 2 2 7 DA C2 C -1.602 -2.784 20.246 1.00 . B B . 7 DA C2 1 1
1 572 2 2 7 DA C2' C -2.590 -8.224 21.447 1.00 . B B . 7 DA C2' 1 1
1 573 2 2 7 DA C3' C -2.118 -9.508 20.766 1.00 . B B . 7 DA C3' 1 1
1 574 2 2 7 DA C4 C -2.924 -4.593 20.416 1.00 . B B . 7 DA C4 1 1
1 575 2 2 7 DA C4' C -2.262 -9.157 19.274 1.00 . B B . 7 DA C4' 1 1
1 576 2 2 7 DA C5 C -4.074 -3.845 20.353 1.00 . B B . 7 DA C5 1 1
1 577 2 2 7 DA C5' C -3.153 -10.142 18.496 1.00 . B B . 7 DA C5' 1 1
1 578 2 2 7 DA C6 C -3.841 -2.443 20.200 1.00 . B B . 7 DA C6 1 1
1 579 2 2 7 DA C8 C -4.677 -5.889 20.521 1.00 . B B . 7 DA C8 1 1
1 580 2 2 7 DA H1' H -1.375 -6.840 20.462 1.00 . B B . 7 DA H1' 1 1
1 581 2 2 7 DA H2 H -0.612 -2.358 20.225 1.00 . B B . 7 DA H2 1 1
1 582 2 2 7 DA H2' H -3.589 -8.287 21.873 1.00 . B B . 7 DA H2' 1 1
1 583 2 2 7 DA H2'' H -1.911 -8.084 22.251 1.00 . B B . 7 DA H2'' 1 1
1 584 2 2 7 DA H3' H -2.767 -10.328 21.040 1.00 . B B . 7 DA H3' 1 1
1 585 2 2 7 DA H4' H -1.288 -9.246 18.781 1.00 . B B . 7 DA H4' 1 1
1 586 2 2 7 DA H5' H -3.234 -9.763 17.474 1.00 . B B . 7 DA H5' 1 1
1 587 2 2 7 DA H5'' H -2.641 -11.107 18.462 1.00 . B B . 7 DA H5'' 1 1
1 588 2 2 7 DA H61 H -4.458 -0.558 19.868 1.00 . B B . 7 DA H61 1 1
1 589 2 2 7 DA H62 H -5.724 -1.763 20.060 1.00 . B B . 7 DA H62 1 1
1 590 2 2 7 DA H8 H -5.283 -6.783 20.578 1.00 . B B . 7 DA H8 1 1
1 591 2 2 7 DA N1 N -2.611 -1.936 20.129 1.00 . B B . 7 DA N1 1 1
1 592 2 2 7 DA N3 N -1.653 -4.107 20.378 1.00 . B B . 7 DA N3 1 1
1 593 2 2 7 DA N6 N -4.756 -1.499 20.074 1.00 . B B . 7 DA N6 1 1
1 594 2 2 7 DA N7 N -5.198 -4.690 20.434 1.00 . B B . 7 DA N7 1 1
1 595 2 2 7 DA N9 N -3.305 -5.923 20.516 1.00 . B B . 7 DA N9 1 1
1 596 2 2 7 DA O3' O -0.756 -9.825 21.031 1.00 . B B . 7 DA O3' 1 1
1 597 2 2 7 DA O4' O -2.704 -7.797 19.182 1.00 . B B . 7 DA O4' 1 1
1 598 2 2 7 DA O5' O -4.439 -10.334 19.064 1.00 . B B . 7 DA O5' 1 1
1 599 2 2 7 DA OP1 O -4.937 -12.491 17.887 1.00 . B B . 7 DA OP1 1 1
1 600 2 2 7 DA OP2 O -6.809 -11.196 19.036 1.00 . B B . 7 DA OP2 1 1
1 601 2 2 7 DA P P -5.541 -11.192 18.276 1.00 . B B . 7 DA P 1 1
1 602 2 2 8 DA C1' C 1.247 -5.648 24.039 1.00 . B B . 8 DA C1' 1 1
1 603 2 2 8 DA C2 C -0.377 -1.669 23.175 1.00 . B B . 8 DA C2 1 1
1 604 2 2 8 DA C2' C 1.683 -6.662 25.093 1.00 . B B . 8 DA C2' 1 1
1 605 2 2 8 DA C3' C 2.797 -7.411 24.374 1.00 . B B . 8 DA C3' 1 1
1 606 2 2 8 DA C4 C -0.503 -3.822 23.779 1.00 . B B . 8 DA C4 1 1
1 607 2 2 8 DA C4' C 2.286 -7.365 22.918 1.00 . B B . 8 DA C4' 1 1
1 608 2 2 8 DA C5 C -1.871 -3.814 23.821 1.00 . B B . 8 DA C5 1 1
1 609 2 2 8 DA C5' C 1.783 -8.718 22.371 1.00 . B B . 8 DA C5' 1 1
1 610 2 2 8 DA C6 C -2.440 -2.583 23.407 1.00 . B B . 8 DA C6 1 1
1 611 2 2 8 DA C8 C -1.254 -5.640 24.713 1.00 . B B . 8 DA C8 1 1
1 612 2 2 8 DA H1' H 2.035 -4.901 23.971 1.00 . B B . 8 DA H1' 1 1
1 613 2 2 8 DA H2 H 0.233 -0.797 23.004 1.00 . B B . 8 DA H2 1 1
1 614 2 2 8 DA H2' H 0.888 -7.377 25.298 1.00 . B B . 8 DA H2' 1 1
1 615 2 2 8 DA H2'' H 2.029 -6.203 26.012 1.00 . B B . 8 DA H2'' 1 1
1 616 2 2 8 DA H3' H 2.863 -8.434 24.724 1.00 . B B . 8 DA H3' 1 1
1 617 2 2 8 DA H4' H 3.102 -7.031 22.275 1.00 . B B . 8 DA H4' 1 1
1 618 2 2 8 DA H5' H 1.563 -8.570 21.311 1.00 . B B . 8 DA H5' 1 1
1 619 2 2 8 DA H5'' H 2.585 -9.456 22.449 1.00 . B B . 8 DA H5'' 1 1
1 620 2 2 8 DA H61 H -4.018 -1.405 23.075 1.00 . B B . 8 DA H61 1 1
1 621 2 2 8 DA H62 H -4.381 -3.046 23.614 1.00 . B B . 8 DA H62 1 1
1 622 2 2 8 DA H8 H -1.289 -6.540 25.313 1.00 . B B . 8 DA H8 1 1
1 623 2 2 8 DA N1 N -1.694 -1.516 23.130 1.00 . B B . 8 DA N1 1 1
1 624 2 2 8 DA N3 N 0.303 -2.773 23.467 1.00 . B B . 8 DA N3 1 1
1 625 2 2 8 DA N6 N -3.729 -2.329 23.354 1.00 . B B . 8 DA N6 1 1
1 626 2 2 8 DA N7 N -2.351 -4.979 24.447 1.00 . B B . 8 DA N7 1 1
1 627 2 2 8 DA N9 N -0.105 -5.061 24.223 1.00 . B B . 8 DA N9 1 1
1 628 2 2 8 DA O3' O 4.056 -6.758 24.477 1.00 . B B . 8 DA O3' 1 1
1 629 2 2 8 DA O4' O 1.251 -6.388 22.839 1.00 . B B . 8 DA O4' 1 1
1 630 2 2 8 DA O5' O 0.625 -9.199 23.042 1.00 . B B . 8 DA O5' 1 1
1 631 2 2 8 DA OP1 O 0.711 -11.524 22.139 1.00 . B B . 8 DA OP1 1 1
1 632 2 2 8 DA OP2 O -1.380 -10.680 23.328 1.00 . B B . 8 DA OP2 1 1
1 633 2 2 8 DA P P -0.232 -10.418 22.434 1.00 . B B . 8 DA P 1 1
1 634 2 2 9 DA C1' C 3.517 -2.314 27.294 1.00 . B B . 9 DA C1' 1 1
1 635 2 2 9 DA C2 C -0.058 -0.130 26.325 1.00 . B B . 9 DA C2 1 1
1 636 2 2 9 DA C2' C 4.525 -2.908 28.291 1.00 . B B . 9 DA C2' 1 1
1 637 2 2 9 DA C3' C 5.850 -2.656 27.588 1.00 . B B . 9 DA C3' 1 1
1 638 2 2 9 DA C4 C 1.060 -1.977 26.921 1.00 . B B . 9 DA C4 1 1
1 639 2 2 9 DA C4' C 5.421 -2.876 26.120 1.00 . B B . 9 DA C4' 1 1
1 640 2 2 9 DA C5 C -0.052 -2.766 26.897 1.00 . B B . 9 DA C5 1 1
1 641 2 2 9 DA C5' C 5.672 -4.299 25.575 1.00 . B B . 9 DA C5' 1 1
1 642 2 2 9 DA C6 C -1.227 -2.062 26.546 1.00 . B B . 9 DA C6 1 1
1 643 2 2 9 DA C8 C 1.545 -4.017 27.521 1.00 . B B . 9 DA C8 1 1
1 644 2 2 9 DA H1' H 3.552 -1.231 27.427 1.00 . B B . 9 DA H1' 1 1
1 645 2 2 9 DA H2 H -0.022 0.928 26.116 1.00 . B B . 9 DA H2 1 1
1 646 2 2 9 DA H2' H 4.476 -3.983 28.411 1.00 . B B . 9 DA H2' 1 1
1 647 2 2 9 DA H2'' H 4.492 -2.439 29.265 1.00 . B B . 9 DA H2'' 1 1
1 648 2 2 9 DA H3' H 6.616 -3.377 27.883 1.00 . B B . 9 DA H3' 1 1
1 649 2 2 9 DA H4' H 5.960 -2.179 25.477 1.00 . B B . 9 DA H4' 1 1
1 650 2 2 9 DA H5' H 5.323 -4.316 24.539 1.00 . B B . 9 DA H5' 1 1
1 651 2 2 9 DA H5'' H 6.747 -4.486 25.575 1.00 . B B . 9 DA H5'' 1 1
1 652 2 2 9 DA H61 H -3.176 -2.021 26.180 1.00 . B B . 9 DA H61 1 1
1 653 2 2 9 DA H62 H -2.484 -3.621 26.465 1.00 . B B . 9 DA H62 1 1
1 654 2 2 9 DA H8 H 2.040 -4.908 27.876 1.00 . B B . 9 DA H8 1 1
1 655 2 2 9 DA N1 N -1.226 -0.757 26.272 1.00 . B B . 9 DA N1 1 1
1 656 2 2 9 DA N3 N 1.116 -0.645 26.664 1.00 . B B . 9 DA N3 1 1
1 657 2 2 9 DA N6 N -2.408 -2.617 26.442 1.00 . B B . 9 DA N6 1 1
1 658 2 2 9 DA N7 N 0.262 -4.078 27.284 1.00 . B B . 9 DA N7 1 1
1 659 2 2 9 DA N9 N 2.105 -2.771 27.325 1.00 . B B . 9 DA N9 1 1
1 660 2 2 9 DA O3' O 6.331 -1.333 27.781 1.00 . B B . 9 DA O3' 1 1
1 661 2 2 9 DA O4' O 4.031 -2.596 26.013 1.00 . B B . 9 DA O4' 1 1
1 662 2 2 9 DA O5' O 5.011 -5.316 26.319 1.00 . B B . 9 DA O5' 1 1
1 663 2 2 9 DA OP1 O 6.360 -7.187 25.376 1.00 . B B . 9 DA OP1 1 1
1 664 2 2 9 DA OP2 O 4.320 -7.664 26.821 1.00 . B B . 9 DA OP2 1 1
1 665 2 2 9 DA P P 4.980 -6.834 25.792 1.00 . B B . 9 DA P 1 1
1 666 2 2 10 DT C1' C 1.819 1.061 30.150 1.00 . B B . 10 DT C1' 1 1
1 667 2 2 10 DT C2 C -0.230 -0.177 29.691 1.00 . B B . 10 DT C2 1 1
1 668 2 2 10 DT C2' C 2.668 1.356 31.385 1.00 . B B . 10 DT C2' 1 1
1 669 2 2 10 DT C3' C 3.693 2.349 30.855 1.00 . B B . 10 DT C3' 1 1
1 670 2 2 10 DT C4 C -0.444 -2.565 30.048 1.00 . B B . 10 DT C4 1 1
1 671 2 2 10 DT C4' C 3.798 1.888 29.380 1.00 . B B . 10 DT C4' 1 1
1 672 2 2 10 DT C5 C 0.955 -2.585 30.484 1.00 . B B . 10 DT C5 1 1
1 673 2 2 10 DT C5' C 5.157 1.294 28.959 1.00 . B B . 10 DT C5' 1 1
1 674 2 2 10 DT C6 C 1.644 -1.413 30.560 1.00 . B B . 10 DT C6 1 1
1 675 2 2 10 DT C7 C 1.673 -3.906 30.792 1.00 . B B . 10 DT C7 1 1
1 676 2 2 10 DT H1' H 1.202 1.941 29.948 1.00 . B B . 10 DT H1' 1 1
1 677 2 2 10 DT H2' H 3.206 0.480 31.735 1.00 . B B . 10 DT H2' 1 1
1 678 2 2 10 DT H2'' H 2.092 1.781 32.189 1.00 . B B . 10 DT H2'' 1 1
1 679 2 2 10 DT H3 H -1.822 -1.314 29.248 1.00 . B B . 10 DT H3 1 1
1 680 2 2 10 DT H3' H 4.651 2.254 31.372 1.00 . B B . 10 DT H3' 1 1
1 681 2 2 10 DT H4' H 3.599 2.744 28.730 1.00 . B B . 10 DT H4' 1 1
1 682 2 2 10 DT H5' H 5.081 1.059 27.894 1.00 . B B . 10 DT H5' 1 1
1 683 2 2 10 DT H5'' H 5.923 2.062 29.085 1.00 . B B . 10 DT H5'' 1 1
1 684 2 2 10 DT H6 H 2.666 -1.426 30.904 1.00 . B B . 10 DT H6 1 1
1 685 2 2 10 DT H71 H 1.628 -4.128 31.852 1.00 . B B . 10 DT H71 1 1
1 686 2 2 10 DT H72 H 1.183 -4.728 30.262 1.00 . B B . 10 DT H72 1 1
1 687 2 2 10 DT H73 H 2.717 -3.877 30.472 1.00 . B B . 10 DT H73 1 1
1 688 2 2 10 DT N1 N 1.055 -0.209 30.212 1.00 . B B . 10 DT N1 1 1
1 689 2 2 10 DT N3 N -0.888 -1.356 29.614 1.00 . B B . 10 DT N3 1 1
1 690 2 2 10 DT O2 O -0.832 0.840 29.386 1.00 . B B . 10 DT O2 1 1
1 691 2 2 10 DT O3' O 3.199 3.682 30.935 1.00 . B B . 10 DT O3' 1 1
1 692 2 2 10 DT O4 O -1.235 -3.493 30.071 1.00 . B B . 10 DT O4 1 1
1 693 2 2 10 DT O4' O 2.773 0.935 29.135 1.00 . B B . 10 DT O4' 1 1
1 694 2 2 10 DT O5' O 5.525 0.126 29.686 1.00 . B B . 10 DT O5' 1 1
1 695 2 2 10 DT OP1 O 7.933 0.154 29.012 1.00 . B B . 10 DT OP1 1 1
1 696 2 2 10 DT OP2 O 6.946 -1.887 30.164 1.00 . B B . 10 DT OP2 1 1
1 697 2 2 10 DT P P 6.785 -0.762 29.215 1.00 . B B . 10 DT P 1 1
1 698 2 2 11 DC C1' C -1.987 3.885 32.273 1.00 . B B . 11 DC C1' 1 1
1 699 2 2 11 DC C2 C -2.510 1.499 32.268 1.00 . B B . 11 DC C2 1 1
1 700 2 2 11 DC C2' C -1.767 4.820 33.461 1.00 . B B . 11 DC C2' 1 1
1 701 2 2 11 DC C3' C -1.266 6.115 32.825 1.00 . B B . 11 DC C3' 1 1
1 702 2 2 11 DC C4 C -0.981 -0.117 32.779 1.00 . B B . 11 DC C4 1 1
1 703 2 2 11 DC C4' C -0.717 5.632 31.466 1.00 . B B . 11 DC C4' 1 1
1 704 2 2 11 DC C5 C -0.040 0.831 33.229 1.00 . B B . 11 DC C5 1 1
1 705 2 2 11 DC C5' C 0.823 5.636 31.369 1.00 . B B . 11 DC C5' 1 1
1 706 2 2 11 DC C6 C -0.367 2.136 33.067 1.00 . B B . 11 DC C6 1 1
1 707 2 2 11 DC H1' H -3.017 4.016 31.935 1.00 . B B . 11 DC H1' 1 1
1 708 2 2 11 DC H2' H -0.992 4.440 34.110 1.00 . B B . 11 DC H2' 1 1
1 709 2 2 11 DC H2'' H -2.685 4.950 34.029 1.00 . B B . 11 DC H2'' 1 1
1 710 2 2 11 DC H3' H -0.451 6.549 33.408 1.00 . B B . 11 DC H3' 1 1
1 711 2 2 11 DC H4' H -1.106 6.273 30.672 1.00 . B B . 11 DC H4' 1 1
1 712 2 2 11 DC H41 H -1.587 -1.924 32.621 1.00 . B B . 11 DC H41 1 1
1 713 2 2 11 DC H42 H 0.044 -1.785 33.307 1.00 . B B . 11 DC H42 1 1
1 714 2 2 11 DC H5 H 0.925 0.542 33.607 1.00 . B B . 11 DC H5 1 1
1 715 2 2 11 DC H5' H 1.087 5.277 30.370 1.00 . B B . 11 DC H5' 1 1
1 716 2 2 11 DC H5'' H 1.180 6.661 31.474 1.00 . B B . 11 DC H5'' 1 1
1 717 2 2 11 DC H6 H 0.352 2.892 33.347 1.00 . B B . 11 DC H6 1 1
1 718 2 2 11 DC N1 N -1.599 2.488 32.571 1.00 . B B . 11 DC N1 1 1
1 719 2 2 11 DC N3 N -2.174 0.205 32.373 1.00 . B B . 11 DC N3 1 1
1 720 2 2 11 DC N4 N -0.793 -1.382 32.939 1.00 . B B . 11 DC N4 1 1
1 721 2 2 11 DC O2 O -3.688 1.762 32.056 1.00 . B B . 11 DC O2 1 1
1 722 2 2 11 DC O3' O -2.358 7.011 32.683 1.00 . B B . 11 DC O3' 1 1
1 723 2 2 11 DC O4' O -1.169 4.310 31.221 1.00 . B B . 11 DC O4' 1 1
1 724 2 2 11 DC O5' O 1.430 4.813 32.357 1.00 . B B . 11 DC O5' 1 1
1 725 2 2 11 DC OP1 O 3.731 5.765 32.254 1.00 . B B . 11 DC OP1 1 1
1 726 2 2 11 DC OP2 O 3.256 3.584 33.471 1.00 . B B . 11 DC OP2 1 1
1 727 2 2 11 DC P P 3.002 4.480 32.319 1.00 . B B . 11 DC P 1 1
1 728 2 2 12 DC C1' C -2.230 5.520 37.703 1.00 . B B . 12 DC C1' 1 1
1 729 2 2 12 DC C2 C -0.769 3.613 37.469 1.00 . B B . 12 DC C2 1 1
1 730 2 2 12 DC C2' C -2.216 7.021 37.970 1.00 . B B . 12 DC C2' 1 1
1 731 2 2 12 DC C3' C -3.705 7.312 37.881 1.00 . B B . 12 DC C3' 1 1
1 732 2 2 12 DC C4 C 1.187 3.611 36.293 1.00 . B B . 12 DC C4 1 1
1 733 2 2 12 DC C4' C -4.184 6.316 36.806 1.00 . B B . 12 DC C4' 1 1
1 734 2 2 12 DC C5 C 0.969 4.932 35.836 1.00 . B B . 12 DC C5 1 1
1 735 2 2 12 DC C5' C -4.207 6.963 35.409 1.00 . B B . 12 DC C5' 1 1
1 736 2 2 12 DC C6 C -0.134 5.576 36.291 1.00 . B B . 12 DC C6 1 1
1 737 2 2 12 DC H1' H -2.502 5.073 38.663 1.00 . B B . 12 DC H1' 1 1
1 738 2 2 12 DC H2' H -1.705 7.589 37.198 1.00 . B B . 12 DC H2' 1 1
1 739 2 2 12 DC H2'' H -1.795 7.261 38.945 1.00 . B B . 12 DC H2'' 1 1
1 740 2 2 12 DC H3' H -3.900 8.350 37.607 1.00 . B B . 12 DC H3' 1 1
1 741 2 2 12 DC H4' H -5.191 5.968 37.037 1.00 . B B . 12 DC H4' 1 1
1 742 2 2 12 DC H41 H 1.906 1.869 36.002 1.00 . B B . 12 DC H41 1 1
1 743 2 2 12 DC H42 H 2.577 3.140 34.966 1.00 . B B . 12 DC H42 1 1
1 744 2 2 12 DC H5 H 1.601 5.372 35.079 1.00 . B B . 12 DC H5 1 1
1 745 2 2 12 DC H5' H -4.536 6.231 34.668 1.00 . B B . 12 DC H5' 1 1
1 746 2 2 12 DC H5'' H -4.925 7.786 35.423 1.00 . B B . 12 DC H5'' 1 1
1 747 2 2 12 DC H6 H -0.361 6.560 35.898 1.00 . B B . 12 DC H6 1 1
1 748 2 2 12 DC N1 N -0.967 4.950 37.189 1.00 . B B . 12 DC N1 1 1
1 749 2 2 12 DC N3 N 0.342 2.979 37.065 1.00 . B B . 12 DC N3 1 1
1 750 2 2 12 DC N4 N 2.098 2.837 35.817 1.00 . B B . 12 DC N4 1 1
1 751 2 2 12 DC O2 O -1.628 2.948 38.039 1.00 . B B . 12 DC O2 1 1
1 752 2 2 12 DC O3' O -4.272 7.048 39.157 1.00 . B B . 12 DC O3' 1 1
1 753 2 2 12 DC O4' O -3.280 5.214 36.810 1.00 . B B . 12 DC O4' 1 1
1 754 2 2 12 DC O5' O -2.915 7.445 35.102 1.00 . B B . 12 DC O5' 1 1
1 755 2 2 12 DC OP1 O -3.816 8.963 33.382 1.00 . B B . 12 DC OP1 1 1
1 756 2 2 12 DC OP2 O -1.331 8.927 33.962 1.00 . B B . 12 DC OP2 1 1
1 757 2 2 12 DC P P -2.598 8.202 33.732 1.00 . B B . 12 DC P 1 1
stop_
save_