NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
383377 |
1jzc   |
5193 | cing | 4-filtered-FRED | STAR | entry | full | 241 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1jzc
# This FRED archive file contains, for PDB entry <1jzc>:
#
# - 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_1jzc
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1jzc
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 4143.44
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 . 1 $5__R__GP_GP_UP_GP_CP_AP_UP_GP_GP_CP_AP_CP_C__3_ A . 1 1
stop_
save_
save_5__R__GP_GP_UP_GP_CP_AP_UP_GP_GP_CP_AP_CP_C__3_
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "5 R GP GP UP GP CP AP UP GP GP CP AP CP C 3 "
_Entity.Type polymer
_Entity.Polymer_type polyribonucleotide
_Entity.Polymer_seq_one_letter_code GGUGCAUGGCACC
_Entity.Number_of_monomers 13
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 U . 1 1
4 G . 1 1
5 C . 1 1
6 A . 1 1
7 U . 1 1
8 G . 1 1
9 G . 1 1
10 C . 1 1
11 A . 1 1
12 C . 1 1
13 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
U 3 3 1 1
G 4 4 1 1
C 5 5 1 1
A 6 6 1 1
U 7 7 1 1
G 8 8 1 1
G 9 9 1 1
C 10 10 1 1
A 11 11 1 1
C 12 12 1 1
C 13 13 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_9_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
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 8 G H1' . 8 . H1' 1 1
1 1 2 1 1 8 G H2' . 8 . H2'' 1 1
2 1 1 1 1 7 U H1' . 7 . H1' 1 1
2 1 2 1 1 8 G H1' . 8 . H1' 1 1
3 1 1 1 1 8 G H1' . 8 . H1' 1 1
3 1 2 1 1 10 C H1' . 10 . H1' 1 1
4 1 1 1 1 7 U H2' . 7 . H2'' 1 1
4 1 2 1 1 8 G H1' . 8 . H1' 1 1
5 1 1 1 1 7 U H5' . 7 . H5' 1 1
5 1 2 1 1 8 G H1' . 8 . H1' 1 1
6 1 1 1 1 7 U H5'' . 7 . H5'' 1 1
6 1 2 1 1 8 G H1' . 8 . H1' 1 1
7 1 1 1 1 8 G H2' . 8 . H2'' 1 1
7 1 2 1 1 8 G H5' . 8 . H5' 1 1
8 1 1 1 1 8 G H2' . 8 . H2'' 1 1
8 1 2 1 1 8 G H5'' . 8 . H5'' 1 1
9 1 1 1 1 8 G H1' . 8 . H1' 1 1
9 1 2 1 1 8 G H8 . 8 . H8 1 1
10 1 1 1 1 8 G H2' . 8 . H2'' 1 1
10 1 2 1 1 8 G H8 . 8 . H8 1 1
11 1 1 1 1 8 G H3' . 8 . H3' 1 1
11 1 2 1 1 8 G H8 . 8 . H8 1 1
12 1 1 1 1 8 G H4' . 8 . H4' 1 1
12 1 2 1 1 8 G H8 . 8 . H8 1 1
13 1 1 1 1 8 G H5' . 8 . H5' 1 1
13 1 2 1 1 8 G H8 . 8 . H8 1 1
14 1 1 1 1 8 G H5'' . 8 . H5'' 1 1
14 1 2 1 1 8 G H8 . 8 . H8 1 1
15 1 1 1 1 8 G H8 . 8 . H8 1 1
15 1 2 1 1 9 G H8 . 9 . H8 1 1
16 1 1 1 1 8 G H1' . 8 . H1' 1 1
16 1 2 1 1 8 G H5' . 8 . H5' 1 1
17 1 1 1 1 8 G H1' . 8 . H1' 1 1
17 1 2 1 1 8 G H5'' . 8 . H5'' 1 1
18 1 1 1 1 5 C H2' . 5 . H2'' 1 1
18 1 2 1 1 8 G H1' . 8 . H1' 1 1
19 1 1 1 1 8 G H1' . 8 . H1' 1 1
19 1 2 1 1 8 G H4' . 8 . H4' 1 1
20 1 1 1 1 8 G H1' . 8 . H1' 1 1
20 1 2 1 1 8 G H3' . 8 . H3' 1 1
21 1 1 1 1 8 G H3' . 8 . H3' 1 1
21 1 2 1 1 8 G H5' . 8 . H5' 1 1
22 1 1 1 1 8 G H3' . 8 . H3' 1 1
22 1 2 1 1 8 G H5'' . 8 . H5'' 1 1
23 1 1 1 1 8 G H5' . 8 . H5' 1 1
23 1 2 1 1 8 G H5'' . 8 . H5'' 1 1
24 1 1 1 1 9 G H1' . 9 . H1' 1 1
24 1 2 1 1 9 G H2' . 9 . H2'' 1 1
25 1 1 1 1 9 G H1' . 9 . H1' 1 1
25 1 2 1 1 9 G H3' . 9 . H3' 1 1
26 1 1 1 1 9 G H1' . 9 . H1' 1 1
26 1 2 1 1 9 G H4' . 9 . H4' 1 1
27 1 1 1 1 9 G H1' . 9 . H1' 1 1
27 1 2 1 1 10 C H5 . 10 . H5 1 1
28 1 1 1 1 9 G H2' . 9 . H2'' 1 1
28 1 2 1 1 10 C H5 . 10 . H5 1 1
29 1 1 1 1 9 G H1' . 9 . H1' 1 1
29 1 2 1 1 10 C H1' . 10 . H1' 1 1
30 1 1 1 1 5 C H2' . 5 . H2'' 1 1
30 1 2 1 1 9 G H8 . 9 . H8 1 1
31 1 1 1 1 8 G H1' . 8 . H1' 1 1
31 1 2 1 1 9 G H8 . 9 . H8 1 1
32 1 1 1 1 8 G H3' . 8 . H3' 1 1
32 1 2 1 1 9 G H8 . 9 . H8 1 1
33 1 1 1 1 8 G H4' . 8 . H4' 1 1
33 1 2 1 1 9 G H8 . 9 . H8 1 1
34 1 1 1 1 8 G H5' . 8 . H5' 1 1
34 1 2 1 1 9 G H8 . 9 . H8 1 1
35 1 1 1 1 8 G H5'' . 8 . H5'' 1 1
35 1 2 1 1 9 G H8 . 9 . H8 1 1
36 1 1 1 1 9 G H1' . 9 . H1' 1 1
36 1 2 1 1 9 G H8 . 9 . H8 1 1
37 1 1 1 1 9 G H2' . 9 . H2'' 1 1
37 1 2 1 1 9 G H8 . 9 . H8 1 1
38 1 1 1 1 9 G H3' . 9 . H3' 1 1
38 1 2 1 1 9 G H8 . 9 . H8 1 1
39 1 1 1 1 9 G H4' . 9 . H4' 1 1
39 1 2 1 1 9 G H8 . 9 . H8 1 1
40 1 1 1 1 9 G H8 . 9 . H8 1 1
40 1 2 1 1 10 C H5 . 10 . H5 1 1
41 1 1 1 1 9 G H8 . 9 . H8 1 1
41 1 2 1 1 10 C H6 . 10 . H6 1 1
42 1 1 1 1 9 G H5' . 9 . H5' 1 1
42 1 2 1 1 9 G H8 . 9 . H8 1 1
43 1 1 1 1 9 G H5'' . 9 . H5'' 1 1
43 1 2 1 1 9 G H8 . 9 . H8 1 1
44 1 1 1 1 9 G H1' . 9 . H1' 1 1
44 1 2 1 1 10 C H2' . 10 . H2'' 1 1
45 1 1 1 1 10 C H1' . 10 . H1' 1 1
45 1 2 1 1 10 C H2' . 10 . H2'' 1 1
46 1 1 1 1 10 C H1' . 10 . H1' 1 1
46 1 2 1 1 11 A H1' . 11 . H1' 1 1
47 1 1 1 1 10 C H1' . 10 . H1' 1 1
47 1 2 1 1 10 C H5 . 10 . H5 1 1
48 1 1 1 1 10 C H5 . 10 . H5 1 1
48 1 2 1 1 10 C H6 . 10 . H6 1 1
49 1 1 1 1 10 C H1' . 10 . H1' 1 1
49 1 2 1 1 10 C H6 . 10 . H6 1 1
50 1 1 1 1 10 C H2' . 10 . H2'' 1 1
50 1 2 1 1 10 C H6 . 10 . H6 1 1
51 1 1 1 1 10 C H3' . 10 . H3' 1 1
51 1 2 1 1 10 C H6 . 10 . H6 1 1
52 1 1 1 1 9 G H1' . 9 . H1' 1 1
52 1 2 1 1 10 C H6 . 10 . H6 1 1
53 1 1 1 1 9 G H2' . 9 . H2' 1 1
53 1 2 1 1 10 C H6 . 10 . H6 1 1
54 1 1 1 1 9 G H4' . 9 . H4' 1 1
54 1 2 1 1 10 C H6 . 10 . H6 1 1
55 1 1 1 1 11 A H1' . 11 . H1' 1 1
55 1 2 1 1 11 A H2' . 11 . H2'' 1 1
56 1 1 1 1 11 A H1' . 11 . H1' 1 1
56 1 2 1 1 12 C H1' . 12 . H1' 1 1
57 1 1 1 1 11 A H1' . 11 . H1' 1 1
57 1 2 1 1 12 C H5 . 12 . H5 1 1
58 1 1 1 1 11 A H1' . 11 . H1' 1 1
58 1 2 1 1 11 A H8 . 11 . H8 1 1
59 1 1 1 1 11 A H2' . 11 . H2'' 1 1
59 1 2 1 1 11 A H8 . 11 . H8 1 1
60 1 1 1 1 11 A H3' . 11 . H3' 1 1
60 1 2 1 1 11 A H8 . 11 . H8 1 1
61 1 1 1 1 10 C H1' . 10 . H1' 1 1
61 1 2 1 1 11 A H8 . 11 . H8 1 1
62 1 1 1 1 10 C H2' . 10 . H2'' 1 1
62 1 2 1 1 11 A H8 . 11 . H8 1 1
63 1 1 1 1 10 C H3' . 10 . H3' 1 1
63 1 2 1 1 11 A H8 . 11 . H8 1 1
64 1 1 1 1 10 C H6 . 10 . H6 1 1
64 1 2 1 1 11 A H8 . 11 . H8 1 1
65 1 1 1 1 4 G H1' . 4 . H1' 1 1
65 1 2 1 1 11 A H2 . 11 . H2 1 1
66 1 1 1 1 11 A H2 . 11 . H2 1 1
66 1 2 1 1 12 C H1' . 12 . H1' 1 1
67 1 1 1 1 11 A H1' . 11 . H1' 1 1
67 1 2 1 1 11 A H2 . 11 . H2 1 1
68 1 1 1 1 11 A H2 . 11 . H2 1 1
68 1 2 1 1 11 A H2' . 11 . H2'' 1 1
69 1 1 1 1 11 A H2 . 11 . H2 1 1
69 1 2 1 1 12 C H2' . 12 . H2'' 1 1
70 1 1 1 1 11 A H2 . 11 . H2 1 1
70 1 2 1 1 12 C H3' . 12 . H3' 1 1
71 1 1 1 1 4 G H2' . 4 . H2'' 1 1
71 1 2 1 1 11 A H2 . 11 . H2 1 1
72 1 1 1 1 4 G H8 . 4 . H8 1 1
72 1 2 1 1 11 A H2 . 11 . H2 1 1
73 1 1 1 1 12 C H1' . 12 . H1' 1 1
73 1 2 1 1 12 C H2' . 12 . H2'' 1 1
74 1 1 1 1 12 C H1' . 12 . H1' 1 1
74 1 2 1 1 12 C H5 . 12 . H5 1 1
75 1 1 1 1 12 C H5 . 12 . H5 1 1
75 1 2 1 1 12 C H6 . 12 . H6 1 1
76 1 1 1 1 12 C H5 . 12 . H5 1 1
76 1 2 1 1 13 C H5 . 13 . H5 1 1
77 1 1 1 1 11 A H8 . 11 . H8 1 1
77 1 2 1 1 12 C H6 . 12 . H6 1 1
78 1 1 1 1 11 A H1' . 11 . H1' 1 1
78 1 2 1 1 12 C H6 . 12 . H6 1 1
79 1 1 1 1 11 A H3' . 11 . H3' 1 1
79 1 2 1 1 12 C H6 . 12 . H6 1 1
80 1 1 1 1 12 C H1' . 12 . H1' 1 1
80 1 2 1 1 12 C H6 . 12 . H6 1 1
81 1 1 1 1 12 C H2' . 12 . H2' 1 1
81 1 2 1 1 12 C H6 . 12 . H6 1 1
82 1 1 1 1 12 C H3' . 12 . H3' 1 1
82 1 2 1 1 12 C H6 . 12 . H6 1 1
83 1 1 1 1 12 C H4' . 12 . H4' 1 1
83 1 2 1 1 12 C H6 . 12 . H6 1 1
84 1 1 1 1 13 C H5 . 13 . H5 1 1
84 1 2 1 1 13 C H6 . 13 . H6 1 1
85 1 1 1 1 12 C H6 . 12 . H6 1 1
85 1 2 1 1 13 C H6 . 13 . H6 1 1
86 1 1 1 1 13 C H1' . 13 . H1' 1 1
86 1 2 1 1 13 C H2' . 13 . H2'' 1 1
87 1 1 1 1 13 C H1' . 13 . H1' 1 1
87 1 2 1 1 13 C H5 . 13 . H5 1 1
88 1 1 1 1 13 C H1' . 13 . H1' 1 1
88 1 2 1 1 13 C H6 . 13 . H6 1 1
89 1 1 1 1 13 C H2' . 13 . H2'' 1 1
89 1 2 1 1 13 C H6 . 13 . H6 1 1
90 1 1 1 1 13 C H3' . 13 . H3' 1 1
90 1 2 1 1 13 C H6 . 13 . H6 1 1
91 1 1 1 1 12 C H1' . 12 . H1' 1 1
91 1 2 1 1 13 C H6 . 13 . H6 1 1
92 1 1 1 1 12 C H2' . 12 . H2'' 1 1
92 1 2 1 1 13 C H6 . 13 . H6 1 1
93 1 1 1 1 12 C H3' . 12 . H3' 1 1
93 1 2 1 1 13 C H6 . 13 . H6 1 1
94 1 1 1 1 13 C H4' . 13 . H4' 1 1
94 1 2 1 1 13 C H6 . 13 . 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 . . . . . 2.0 2.0 4.0 1 1
2 1 . . . . . 3.0 3.0 7.0 1 1
3 1 . . . . . 3.0 3.0 7.0 1 1
4 1 . . . . . 2.5 2.5 5.0 1 1
5 1 . . . . . 2.5 2.5 5.0 1 1
6 1 . . . . . 2.5 2.5 5.0 1 1
7 1 . . . . . 2.5 2.5 5.0 1 1
8 1 . . . . . 2.5 2.5 5.0 1 1
9 1 . . . . . 2.5 2.5 5.0 1 1
10 1 . . . . . 1.8 1.8 3.2 1 1
11 1 . . . . . 1.8 1.8 3.2 1 1
12 1 . . . . . 3.0 3.0 7.0 1 1
13 1 . . . . . 2.5 2.5 5.0 1 1
14 1 . . . . . 2.5 2.5 5.0 1 1
15 1 . . . . . 3.0 3.0 7.0 1 1
16 1 . . . . . 3.0 3.0 7.0 1 1
17 1 . . . . . 3.0 3.0 7.0 1 1
18 1 . . . . . 3.0 3.0 7.0 1 1
19 1 . . . . . 2.5 2.5 5.0 1 1
20 1 . . . . . 2.5 2.5 5.0 1 1
21 1 . . . . . 2.0 2.0 4.0 1 1
22 1 . . . . . 2.0 2.0 4.0 1 1
23 1 . . . . . 1.8 1.8 3.2 1 1
24 1 . . . . . 2.5 2.5 5.0 1 1
25 1 . . . . . 2.5 2.5 5.0 1 1
26 1 . . . . . 2.0 2.0 4.0 1 1
27 1 . . . . . 2.5 2.5 5.0 1 1
28 1 . . . . . 2.5 2.5 5.0 1 1
29 1 . . . . . 2.5 2.5 5.0 1 1
30 1 . . . . . 3.0 3.0 7.0 1 1
31 1 . . . . . 3.0 3.0 7.0 1 1
32 1 . . . . . 2.5 2.5 5.0 1 1
33 1 . . . . . 2.5 2.5 5.0 1 1
34 1 . . . . . 2.5 2.5 5.0 1 1
35 1 . . . . . 2.5 2.5 5.0 1 1
36 1 . . . . . 2.5 2.5 5.0 1 1
37 1 . . . . . 1.8 1.8 3.2 1 1
38 1 . . . . . 2.5 2.5 5.0 1 1
39 1 . . . . . 2.5 2.5 5.0 1 1
40 1 . . . . . 2.5 2.5 5.0 1 1
41 1 . . . . . 2.5 2.5 5.0 1 1
42 1 . . . . . 2.5 2.5 5.0 1 1
43 1 . . . . . 2.5 2.5 5.0 1 1
44 1 . . . . . 2.5 2.5 5.0 1 1
45 1 . . . . . 1.8 1.8 3.2 1 1
46 1 . . . . . 3.0 3.0 7.0 1 1
47 1 . . . . . 3.0 3.0 7.0 1 1
48 1 . . . . . 1.8 1.8 3.2 1 1
49 1 . . . . . 2.5 2.5 5.0 1 1
50 1 . . . . . 2.0 2.0 4.0 1 1
51 1 . . . . . 1.8 1.8 3.2 1 1
52 1 . . . . . 1.8 1.8 3.2 1 1
53 1 . . . . . 2.5 2.5 5.0 1 1
54 1 . . . . . 2.5 2.5 5.0 1 1
55 1 . . . . . 1.8 1.8 3.2 1 1
56 1 . . . . . 3.0 3.0 7.0 1 1
57 1 . . . . . 3.0 3.0 7.0 1 1
58 1 . . . . . 2.5 2.5 5.0 1 1
59 1 . . . . . 1.8 1.8 3.2 1 1
60 1 . . . . . 2.0 2.0 4.0 1 1
61 1 . . . . . 2.5 2.5 5.0 1 1
62 1 . . . . . 2.5 2.5 5.0 1 1
63 1 . . . . . 2.0 2.0 4.0 1 1
64 1 . . . . . 3.0 3.0 7.0 1 1
65 1 . . . . . 2.5 2.5 5.0 1 1
66 1 . . . . . 2.5 2.5 5.0 1 1
67 1 . . . . . 3.0 3.0 7.0 1 1
68 1 . . . . . 3.0 3.0 7.0 1 1
69 1 . . . . . 3.0 3.0 7.0 1 1
70 1 . . . . . 3.0 3.0 7.0 1 1
71 1 . . . . . 3.0 3.0 7.0 1 1
72 1 . . . . . 3.0 3.0 7.0 1 1
73 1 . . . . . 1.8 1.8 3.2 1 1
74 1 . . . . . 3.0 3.0 7.0 1 1
75 1 . . . . . 1.8 1.8 3.2 1 1
76 1 . . . . . 2.5 2.5 5.0 1 1
77 1 . . . . . 3.0 3.0 7.0 1 1
78 1 . . . . . 2.5 2.5 5.0 1 1
79 1 . . . . . 2.0 2.0 4.0 1 1
80 1 . . . . . 2.0 2.0 4.0 1 1
81 1 . . . . . 2.5 2.5 5.0 1 1
82 1 . . . . . 1.8 1.8 3.2 1 1
83 1 . . . . . 3.0 3.0 7.0 1 1
84 1 . . . . . 1.8 1.8 3.2 1 1
85 1 . . . . . 3.0 3.0 7.0 1 1
86 1 . . . . . 1.8 1.8 3.2 1 1
87 1 . . . . . 3.0 3.0 7.0 1 1
88 1 . . . . . 2.0 2.0 4.0 1 1
89 1 . . . . . 1.8 1.8 3.2 1 1
90 1 . . . . . 1.8 1.8 3.2 1 1
91 1 . . . . . 2.5 2.5 5.0 1 1
92 1 . . . . . 1.8 1.8 3.2 1 1
93 1 . . . . . 2.0 2.0 4.0 1 1
94 1 . . . . . 3.0 3.0 7.0 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5_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
16 1 . . . 1 2
17 1 . . . 1 2
18 1 . . . 1 2
19 1 . . . 1 2
20 1 . . . 1 2
21 1 . . . 1 2
22 1 . . . 1 2
23 1 . . . 1 2
24 1 . . . 1 2
25 1 . . . 1 2
26 1 . . . 1 2
27 1 . . . 1 2
28 1 . . . 1 2
29 1 . . . 1 2
30 1 . . . 1 2
31 1 . . . 1 2
32 1 . . . 1 2
33 1 . . . 1 2
34 1 . . . 1 2
35 1 . . . 1 2
36 1 . . . 1 2
37 1 . . . 1 2
38 1 . . . 1 2
39 1 . . . 1 2
40 1 . . . 1 2
41 1 . . . 1 2
42 1 . . . 1 2
43 1 . . . 1 2
44 1 . . . 1 2
45 1 . . . 1 2
46 1 . . . 1 2
47 1 . . . 1 2
48 1 . . . 1 2
49 1 . . . 1 2
50 1 . . . 1 2
51 1 . . . 1 2
52 1 . . . 1 2
53 1 . . . 1 2
54 1 . . . 1 2
55 1 . . . 1 2
56 1 . . . 1 2
57 1 . . . 1 2
58 1 . . . 1 2
59 1 . . . 1 2
60 1 . . . 1 2
61 1 . . . 1 2
62 1 . . . 1 2
63 1 . . . 1 2
64 1 . . . 1 2
65 1 . . . 1 2
66 1 . . . 1 2
67 1 . . . 1 2
68 1 . . . 1 2
69 1 . . . 1 2
70 1 . . . 1 2
71 1 . . . 1 2
72 1 . . . 1 2
73 1 . . . 1 2
74 1 . . . 1 2
75 1 . . . 1 2
76 1 . . . 1 2
77 1 . . . 1 2
78 1 . . . 1 2
79 1 . . . 1 2
80 1 . . . 1 2
81 1 . . . 1 2
82 1 . . . 1 2
83 1 . . . 1 2
84 1 . . . 1 2
85 1 . . . 1 2
86 1 . . . 1 2
87 1 . . . 1 2
88 1 . . . 1 2
89 1 . . . 1 2
90 1 . . . 1 2
91 1 . . . 1 2
92 1 . . . 1 2
93 1 . . . 1 2
94 1 . . . 1 2
95 1 . . . 1 2
96 1 . . . 1 2
97 1 . . . 1 2
98 1 . . . 1 2
99 1 . . . 1 2
100 1 . . . 1 2
101 1 . . . 1 2
102 1 . . . 1 2
103 1 . . . 1 2
104 1 . . . 1 2
105 1 . . . 1 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 G H1' . 1 . H1' 1 2
1 1 2 1 1 1 G H2' . 1 . H2'' 1 2
2 1 1 1 1 1 G H1' . 1 . H1' 1 2
2 1 2 1 1 1 G H8 . 1 . H8 1 2
3 1 1 1 1 1 G H2' . 1 . H2'' 1 2
3 1 2 1 1 1 G H8 . 1 . H8 1 2
4 1 1 1 1 1 G H3' . 1 . H3' 1 2
4 1 2 1 1 1 G H8 . 1 . H8 1 2
5 1 1 1 1 1 G H8 . 1 . H8 1 2
5 1 2 1 1 2 G H8 . 2 . H8 1 2
6 1 1 1 1 1 G H4' . 1 . H4' 1 2
6 1 2 1 1 1 G H8 . 1 . H8 1 2
7 1 1 1 1 2 G H1' . 2 . H1' 1 2
7 1 2 1 1 2 G H2' . 2 . H2'' 1 2
8 1 1 1 1 2 G H1' . 2 . H1' 1 2
8 1 2 1 1 3 U H5 . 3 . H5 1 2
9 1 1 1 1 2 G H1' . 2 . H1' 1 2
9 1 2 1 1 3 U H1' . 3 . H1' 1 2
10 1 1 1 1 2 G H1' . 2 . H1' 1 2
10 1 2 1 1 2 G H8 . 2 . H8 1 2
11 1 1 1 1 2 G H2' . 2 . H2'' 1 2
11 1 2 1 1 2 G H8 . 2 . H8 1 2
12 1 1 1 1 2 G H3' . 2 . H3' 1 2
12 1 2 1 1 2 G H8 . 2 . H8 1 2
13 1 1 1 1 1 G H1' . 1 . H1' 1 2
13 1 2 1 1 2 G H8 . 2 . H8 1 2
14 1 1 1 1 1 G H2' . 1 . H2' 1 2
14 1 2 1 1 2 G H8 . 2 . H8 1 2
15 1 1 1 1 1 G H3' . 1 . H3' 1 2
15 1 2 1 1 2 G H8 . 2 . H8 1 2
16 1 1 1 1 2 G H4' . 2 . H4' 1 2
16 1 2 1 1 2 G H8 . 2 . H8 1 2
17 1 1 1 1 2 G H8 . 2 . H8 1 2
17 1 2 1 1 3 U H5 . 3 . H5 1 2
18 1 1 1 1 2 G H8 . 2 . H8 1 2
18 1 2 1 1 3 U H6 . 3 . H6 1 2
19 1 1 1 1 3 U H1' . 3 . H1' 1 2
19 1 2 1 1 3 U H2' . 3 . H2'' 1 2
20 1 1 1 1 3 U H1' . 3 . H1' 1 2
20 1 2 1 1 3 U H5 . 3 . H5 1 2
21 1 1 1 1 3 U H1' . 3 . H1' 1 2
21 1 2 1 1 4 G H1' . 4 . H1' 1 2
22 1 1 1 1 2 G H1' . 2 . H1' 1 2
22 1 2 1 1 3 U H6 . 3 . H6 1 2
23 1 1 1 1 3 U H1' . 3 . H1' 1 2
23 1 2 1 1 3 U H6 . 3 . H6 1 2
24 1 1 1 1 3 U H2' . 3 . H2'' 1 2
24 1 2 1 1 3 U H6 . 3 . H6 1 2
25 1 1 1 1 2 G H2' . 2 . H2'' 1 2
25 1 2 1 1 3 U H6 . 3 . H6 1 2
26 1 1 1 1 2 G H3' . 2 . H3' 1 2
26 1 2 1 1 3 U H6 . 3 . H6 1 2
27 1 1 1 1 3 U H5 . 3 . H5 1 2
27 1 2 1 1 3 U H6 . 3 . H6 1 2
28 1 1 1 1 3 U H6 . 3 . H6 1 2
28 1 2 1 1 4 G H8 . 4 . H8 1 2
29 1 1 1 1 2 G H2' . 2 . H2'' 1 2
29 1 2 1 1 3 U H5 . 3 . H5 1 2
30 1 1 1 1 4 G H1' . 4 . H1' 1 2
30 1 2 1 1 4 G H2' . 4 . H2'' 1 2
31 1 1 1 1 4 G H1' . 4 . H1' 1 2
31 1 2 1 1 5 C H5 . 5 . H5 1 2
32 1 1 1 1 4 G H1' . 4 . H1' 1 2
32 1 2 1 1 4 G H8 . 4 . H8 1 2
33 1 1 1 1 4 G H2' . 4 . H2'' 1 2
33 1 2 1 1 4 G H8 . 4 . H8 1 2
34 1 1 1 1 4 G H3' . 4 . H3' 1 2
34 1 2 1 1 4 G H8 . 4 . H8 1 2
35 1 1 1 1 3 U H1' . 3 . H1' 1 2
35 1 2 1 1 4 G H8 . 4 . H8 1 2
36 1 1 1 1 3 U H2' . 3 . H2'' 1 2
36 1 2 1 1 4 G H8 . 4 . H8 1 2
37 1 1 1 1 4 G H8 . 4 . H8 1 2
37 1 2 1 1 5 C H6 . 5 . H6 1 2
38 1 1 1 1 4 G H8 . 4 . H8 1 2
38 1 2 1 1 5 C H5 . 5 . H5 1 2
39 1 1 1 1 5 C H1' . 5 . H1' 1 2
39 1 2 1 1 5 C H2' . 5 . H2'' 1 2
40 1 1 1 1 5 C H1' . 5 . H1' 1 2
40 1 2 1 1 5 C H5' . 5 . H5' 1 2
41 1 1 1 1 5 C H1' . 5 . H1' 1 2
41 1 2 1 1 5 C H5'' . 5 . H5'' 1 2
42 1 1 1 1 5 C H1' . 5 . H1' 1 2
42 1 2 1 1 5 C H5 . 5 . H5 1 2
43 1 1 1 1 5 C H1' . 5 . H1' 1 2
43 1 2 1 1 6 A H1' . 6 . H1' 1 2
44 1 1 1 1 5 C H1' . 5 . H1' 1 2
44 1 2 1 1 6 A H2' . 6 . H2'' 1 2
45 1 1 1 1 5 C H1' . 5 . H1' 1 2
45 1 2 1 1 8 G H3' . 8 . H3' 1 2
46 1 1 1 1 5 C H1' . 5 . H1' 1 2
46 1 2 1 1 5 C H6 . 5 . H6 1 2
47 1 1 1 1 5 C H2' . 5 . H2'' 1 2
47 1 2 1 1 5 C H6 . 5 . H6 1 2
48 1 1 1 1 5 C H3' . 5 . H3' 1 2
48 1 2 1 1 5 C H6 . 5 . H6 1 2
49 1 1 1 1 5 C H4' . 5 . H4' 1 2
49 1 2 1 1 5 C H6 . 5 . H6 1 2
50 1 1 1 1 5 C H5' . 5 . H5' 1 2
50 1 2 1 1 5 C H6 . 5 . H6 1 2
51 1 1 1 1 5 C H5'' . 5 . H5'' 1 2
51 1 2 1 1 5 C H6 . 5 . H6 1 2
52 1 1 1 1 4 G H1' . 4 . H1' 1 2
52 1 2 1 1 5 C H6 . 5 . H6 1 2
53 1 1 1 1 4 G H2' . 4 . H2'' 1 2
53 1 2 1 1 5 C H6 . 5 . H6 1 2
54 1 1 1 1 4 G H3' . 4 . H3' 1 2
54 1 2 1 1 5 C H6 . 5 . H6 1 2
55 1 1 1 1 5 C H5 . 5 . H5 1 2
55 1 2 1 1 5 C H6 . 5 . H6 1 2
56 1 1 1 1 5 C H2' . 5 . H2'' 1 2
56 1 2 1 1 5 C H5 . 5 . H5 1 2
57 1 1 1 1 4 G H2' . 4 . H2'' 1 2
57 1 2 1 1 5 C H5 . 5 . H5 1 2
58 1 1 1 1 4 G H3' . 4 . H3' 1 2
58 1 2 1 1 5 C H5 . 5 . H5 1 2
59 1 1 1 1 5 C H5 . 5 . H5 1 2
59 1 2 1 1 6 A H8 . 6 . H8 1 2
60 1 1 1 1 5 C H6 . 5 . H6 1 2
60 1 2 1 1 6 A H8 . 6 . H8 1 2
61 1 1 1 1 4 G H2' . 4 . H2'' 1 2
61 1 2 1 1 5 C H1' . 5 . H1' 1 2
62 1 1 1 1 5 C H1' . 5 . H1' 1 2
62 1 2 1 1 5 C H4' . 5 . H4' 1 2
63 1 1 1 1 6 A H1' . 6 . H1' 1 2
63 1 2 1 1 6 A H2' . 6 . H2'' 1 2
64 1 1 1 1 5 C H5' . 5 . H5' 1 2
64 1 2 1 1 6 A H1' . 6 . H1' 1 2
65 1 1 1 1 5 C H5'' . 5 . H5'' 1 2
65 1 2 1 1 6 A H1' . 6 . H1' 1 2
66 1 1 1 1 6 A H1' . 6 . H1' 1 2
66 1 2 1 1 6 A H4' . 6 . H4' 1 2
67 1 1 1 1 6 A H1' . 6 . H1' 1 2
67 1 2 1 1 6 A H5' . 6 . H5' 1 2
68 1 1 1 1 6 A H1' . 6 . H1' 1 2
68 1 2 1 1 6 A H5'' . 6 . H5'' 1 2
69 1 1 1 1 5 C H2' . 5 . H2'' 1 2
69 1 2 1 1 6 A H1' . 6 . H1' 1 2
70 1 1 1 1 6 A H1' . 6 . H1' 1 2
70 1 2 1 1 7 U H5 . 7 . H5 1 2
71 1 1 1 1 6 A H1' . 6 . H1' 1 2
71 1 2 1 1 7 U H1' . 7 . H1' 1 2
72 1 1 1 1 6 A H1' . 6 . H1' 1 2
72 1 2 1 1 7 U H5' . 7 . H5' 1 2
73 1 1 1 1 6 A H1' . 6 . H1' 1 2
73 1 2 1 1 7 U H5'' . 7 . H5'' 1 2
74 1 1 1 1 6 A H2' . 6 . H2'' 1 2
74 1 2 1 1 7 U H5' . 7 . H5' 1 2
75 1 1 1 1 6 A H2' . 6 . H2'' 1 2
75 1 2 1 1 7 U H5'' . 7 . H5'' 1 2
76 1 1 1 1 6 A H2' . 6 . H2'' 1 2
76 1 2 1 1 7 U H3' . 7 . H3' 1 2
77 1 1 1 1 6 A H1' . 6 . H1' 1 2
77 1 2 1 1 6 A H8 . 6 . H8 1 2
78 1 1 1 1 6 A H2' . 6 . H2'' 1 2
78 1 2 1 1 6 A H8 . 6 . H8 1 2
79 1 1 1 1 6 A H3' . 6 . H3' 1 2
79 1 2 1 1 6 A H8 . 6 . H8 1 2
80 1 1 1 1 6 A H4' . 6 . H4' 1 2
80 1 2 1 1 6 A H8 . 6 . H8 1 2
81 1 1 1 1 6 A H5' . 6 . H5' 1 2
81 1 2 1 1 6 A H8 . 6 . H8 1 2
82 1 1 1 1 6 A H5'' . 6 . H5'' 1 2
82 1 2 1 1 6 A H8 . 6 . H8 1 2
83 1 1 1 1 5 C H1' . 5 . H1' 1 2
83 1 2 1 1 6 A H8 . 6 . H8 1 2
84 1 1 1 1 5 C H2' . 5 . H2'' 1 2
84 1 2 1 1 6 A H8 . 6 . H8 1 2
85 1 1 1 1 5 C H3' . 5 . H3' 1 2
85 1 2 1 1 6 A H8 . 6 . H8 1 2
86 1 1 1 1 5 C H4' . 5 . H4' 1 2
86 1 2 1 1 6 A H8 . 6 . H8 1 2
87 1 1 1 1 5 C H5' . 5 . H5' 1 2
87 1 2 1 1 6 A H8 . 6 . H8 1 2
88 1 1 1 1 5 C H5'' . 5 . H5'' 1 2
88 1 2 1 1 6 A H8 . 6 . H8 1 2
89 1 1 1 1 6 A H8 . 6 . H8 1 2
89 1 2 1 1 7 U H5' . 7 . H5' 1 2
90 1 1 1 1 6 A H8 . 6 . H8 1 2
90 1 2 1 1 7 U H5'' . 7 . H5'' 1 2
91 1 1 1 1 6 A H8 . 6 . H8 1 2
91 1 2 1 1 7 U H5 . 7 . H5 1 2
92 1 1 1 1 6 A H8 . 6 . H8 1 2
92 1 2 1 1 7 U H6 . 7 . H6 1 2
93 1 1 1 1 6 A H1' . 6 . H1' 1 2
93 1 2 1 1 6 A H2 . 6 . H2 1 2
94 1 1 1 1 6 A H2 . 6 . H2 1 2
94 1 2 1 1 8 G H1' . 8 . H1' 1 2
95 1 1 1 1 6 A H2 . 6 . H2 1 2
95 1 2 1 1 10 C H1' . 10 . H1' 1 2
96 1 1 1 1 6 A H2 . 6 . H2 1 2
96 1 2 1 1 7 U H6 . 7 . H6 1 2
97 1 1 1 1 6 A H2 . 6 . H2 1 2
97 1 2 1 1 7 U H1' . 7 . H1' 1 2
98 1 1 1 1 5 C H2' . 5 . H2'' 1 2
98 1 2 1 1 6 A H2 . 6 . H2 1 2
99 1 1 1 1 6 A H2 . 6 . H2 1 2
99 1 2 1 1 7 U H2' . 7 . H2'' 1 2
100 1 1 1 1 6 A H2 . 6 . H2 1 2
100 1 2 1 1 8 G H2' . 8 . H2'' 1 2
101 1 1 1 1 6 A H2 . 6 . H2 1 2
101 1 2 1 1 8 G H3' . 8 . H3' 1 2
102 1 1 1 1 6 A H2 . 6 . H2 1 2
102 1 2 1 1 9 G H1' . 9 . H1' 1 2
103 1 1 1 1 5 C H4' . 5 . H4' 1 2
103 1 2 1 1 6 A H2 . 6 . H2 1 2
104 1 1 1 1 6 A H2 . 6 . H2 1 2
104 1 2 1 1 8 G H5' . 8 . H5' 1 2
105 1 1 1 1 6 A H2 . 6 . H2 1 2
105 1 2 1 1 8 G H5'' . 8 . H5'' 1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 1.8 1.8 3.2 1 2
2 1 . . . . . 2.0 2.0 4.0 1 2
3 1 . . . . . 2.5 2.5 5.0 1 2
4 1 . . . . . 2.0 2.0 4.0 1 2
5 1 . . . . . 3.0 3.0 7.0 1 2
6 1 . . . . . 2.5 2.5 5.0 1 2
7 1 . . . . . 1.8 1.8 3.2 1 2
8 1 . . . . . 3.0 3.0 7.0 1 2
9 1 . . . . . 3.0 3.0 7.0 1 2
10 1 . . . . . 2.0 2.0 4.0 1 2
11 1 . . . . . 2.0 2.0 4.0 1 2
12 1 . . . . . 1.8 1.8 3.2 1 2
13 1 . . . . . 2.5 2.5 5.0 1 2
14 1 . . . . . 2.0 2.0 4.0 1 2
15 1 . . . . . 1.8 1.8 3.2 1 2
16 1 . . . . . 2.5 2.5 5.0 1 2
17 1 . . . . . 3.0 3.0 7.0 1 2
18 1 . . . . . 2.5 2.5 5.0 1 2
19 1 . . . . . 1.8 1.8 3.2 1 2
20 1 . . . . . 3.0 3.0 7.0 1 2
21 1 . . . . . 3.0 3.0 7.0 1 2
22 1 . . . . . 2.5 2.5 5.0 1 2
23 1 . . . . . 2.5 2.5 5.0 1 2
24 1 . . . . . 1.8 1.8 3.2 1 2
25 1 . . . . . 1.8 1.8 3.2 1 2
26 1 . . . . . 2.0 2.0 4.0 1 2
27 1 . . . . . 1.8 1.8 3.2 1 2
28 1 . . . . . 2.5 2.5 5.0 1 2
29 1 . . . . . 2.5 2.5 5.0 1 2
30 1 . . . . . 1.8 1.8 3.2 1 2
31 1 . . . . . 3.0 3.0 7.0 1 2
32 1 . . . . . 2.5 2.5 5.0 1 2
33 1 . . . . . 2.5 2.5 5.0 1 2
34 1 . . . . . 1.8 1.8 3.2 1 2
35 1 . . . . . 2.5 2.5 5.0 1 2
36 1 . . . . . 1.8 1.8 3.2 1 2
37 1 . . . . . 3.0 3.0 7.0 1 2
38 1 . . . . . 3.0 3.0 7.0 1 2
39 1 . . . . . 1.8 1.8 3.2 1 2
40 1 . . . . . 2.5 2.5 5.0 1 2
41 1 . . . . . 2.5 2.5 5.0 1 2
42 1 . . . . . 3.0 3.0 7.0 1 2
43 1 . . . . . 3.0 3.0 7.0 1 2
44 1 . . . . . 3.0 3.0 7.0 1 2
45 1 . . . . . 3.0 3.0 7.0 1 2
46 1 . . . . . 2.0 2.0 4.0 1 2
47 1 . . . . . 1.8 1.8 3.2 1 2
48 1 . . . . . 1.8 1.8 3.2 1 2
49 1 . . . . . 2.5 2.5 5.0 1 2
50 1 . . . . . 2.5 2.5 5.0 1 2
51 1 . . . . . 2.5 2.5 5.0 1 2
52 1 . . . . . 2.5 2.5 5.0 1 2
53 1 . . . . . 1.8 1.8 3.2 1 2
54 1 . . . . . 2.0 2.0 4.0 1 2
55 1 . . . . . 1.8 1.8 3.2 1 2
56 1 . . . . . 2.5 2.5 5.0 1 2
57 1 . . . . . 2.5 2.5 5.0 1 2
58 1 . . . . . 2.0 2.0 4.0 1 2
59 1 . . . . . 3.0 3.0 7.0 1 2
60 1 . . . . . 3.0 3.0 7.0 1 2
61 1 . . . . . 2.5 2.5 5.0 1 2
62 1 . . . . . 2.5 2.5 5.0 1 2
63 1 . . . . . 2.0 2.0 4.0 1 2
64 1 . . . . . 3.0 3.0 7.0 1 2
65 1 . . . . . 3.0 3.0 7.0 1 2
66 1 . . . . . 2.5 2.5 5.0 1 2
67 1 . . . . . 3.0 3.0 7.0 1 2
68 1 . . . . . 3.0 3.0 7.0 1 2
69 1 . . . . . 3.0 3.0 7.0 1 2
70 1 . . . . . 2.5 2.5 5.0 1 2
71 1 . . . . . 3.0 3.0 7.0 1 2
72 1 . . . . . 3.0 3.0 7.0 1 2
73 1 . . . . . 3.0 3.0 7.0 1 2
74 1 . . . . . 2.5 2.5 5.0 1 2
75 1 . . . . . 2.5 2.5 5.0 1 2
76 1 . . . . . 2.5 2.5 5.0 1 2
77 1 . . . . . 2.5 2.5 5.0 1 2
78 1 . . . . . 1.8 1.8 3.2 1 2
79 1 . . . . . 2.5 2.5 5.0 1 2
80 1 . . . . . 2.5 2.5 5.0 1 2
81 1 . . . . . 2.5 2.5 5.0 1 2
82 1 . . . . . 2.5 2.5 5.0 1 2
83 1 . . . . . 2.5 2.5 5.0 1 2
84 1 . . . . . 2.5 2.5 5.0 1 2
85 1 . . . . . 2.5 2.5 5.0 1 2
86 1 . . . . . 2.5 2.5 5.0 1 2
87 1 . . . . . 3.0 3.0 7.0 1 2
88 1 . . . . . 3.0 3.0 7.0 1 2
89 1 . . . . . 3.0 3.0 7.0 1 2
90 1 . . . . . 3.0 3.0 7.0 1 2
91 1 . . . . . 3.0 3.0 7.0 1 2
92 1 . . . . . 3.0 3.0 7.0 1 2
93 1 . . . . . 3.0 3.0 7.0 1 2
94 1 . . . . . 3.0 3.0 7.0 1 2
95 1 . . . . . 3.0 3.0 7.0 1 2
96 1 . . . . . 3.0 3.0 7.0 1 2
97 1 . . . . . 3.0 3.0 7.0 1 2
98 1 . . . . . 3.0 3.0 7.0 1 2
99 1 . . . . . 3.0 3.0 7.0 1 2
100 1 . . . . . 3.0 3.0 7.0 1 2
101 1 . . . . . 3.0 3.0 7.0 1 2
102 1 . . . . . 3.0 3.0 7.0 1 2
103 1 . . . . . 3.0 3.0 7.0 1 2
104 1 . . . . . 3.0 3.0 7.0 1 2
105 1 . . . . . 3.0 3.0 7.0 1 2
stop_
save_
save_CNS/XPLOR_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 3
_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 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
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 2 G H1 . 2 . H1 1 3
1 1 2 1 1 3 U H3 . 3 . H3 1 3
2 1 1 1 1 3 U H3 . 3 . H3 1 3
2 1 2 1 1 4 G H1 . 4 . H1 1 3
3 1 1 1 1 2 G H1 . 2 . H1 1 3
3 1 2 1 1 12 C H41 . 12 . H41 1 3
4 1 1 1 1 2 G H1 . 2 . H1 1 3
4 1 2 1 1 12 C H42 . 12 . H42 1 3
5 1 1 1 1 3 U H3 . 3 . H3 1 3
5 1 2 1 1 11 A H2 . 11 . H2 1 3
6 1 1 1 1 4 G H1 . 4 . H1 1 3
6 1 2 1 1 10 C H41 . 10 . H41 1 3
7 1 1 1 1 4 G H1 . 4 . H1 1 3
7 1 2 1 1 10 C H42 . 10 . H42 1 3
8 1 1 1 1 5 C H41 . 5 . H41 1 3
8 1 2 1 1 9 G H1 . 9 . H1 1 3
9 1 1 1 1 5 C H42 . 5 . H42 1 3
9 1 2 1 1 9 G H1 . 9 . H1 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 . . . . . 1.8 1.8 5.0 1 3
2 1 . . . . . 1.8 1.8 5.0 1 3
3 1 . . . . . 1.8 1.8 5.0 1 3
4 1 . . . . . 1.8 1.8 5.0 1 3
5 1 . . . . . . 2.8 3.0 1 3
6 1 . . . . . 1.8 1.8 5.0 1 3
7 1 . . . . . 1.8 1.8 5.0 1 3
8 1 . . . . . 1.8 1.8 5.0 1 3
9 1 . . . . . 1.8 1.8 5.0 1 3
stop_
save_
save_CNS/XPLOR_distance_constraints_7_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 4
_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 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
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 7 U H1' . 7 . H1' 1 4
1 1 2 1 1 7 U H2' . 7 . H2'' 1 4
2 1 1 1 1 7 U H5 . 7 . H5 1 4
2 1 2 1 1 7 U H6 . 7 . H6 1 4
3 1 1 1 1 7 U H1' . 7 . H1' 1 4
3 1 2 1 1 7 U H6 . 7 . H6 1 4
4 1 1 1 1 7 U H2' . 7 . H2'' 1 4
4 1 2 1 1 7 U H6 . 7 . H6 1 4
5 1 1 1 1 7 U H3' . 7 . H3' 1 4
5 1 2 1 1 7 U H6 . 7 . H6 1 4
6 1 1 1 1 6 A H1' . 6 . H1' 1 4
6 1 2 1 1 7 U H6 . 7 . H6 1 4
7 1 1 1 1 6 A H2' . 6 . H2'' 1 4
7 1 2 1 1 7 U H6 . 7 . H6 1 4
8 1 1 1 1 6 A H3' . 6 . H3' 1 4
8 1 2 1 1 7 U H6 . 7 . H6 1 4
9 1 1 1 1 7 U H4' . 7 . H4' 1 4
9 1 2 1 1 7 U H6 . 7 . H6 1 4
10 1 1 1 1 7 U H5' . 7 . H5' 1 4
10 1 2 1 1 7 U H6 . 7 . H6 1 4
11 1 1 1 1 7 U H5'' . 7 . H5'' 1 4
11 1 2 1 1 7 U H6 . 7 . H6 1 4
12 1 1 1 1 7 U H1' . 7 . H1' 1 4
12 1 2 1 1 8 G H5' . 8 . H5' 1 4
13 1 1 1 1 7 U H1' . 7 . H1' 1 4
13 1 2 1 1 8 G H5'' . 8 . H5'' 1 4
14 1 1 1 1 7 U H2' . 7 . H2'' 1 4
14 1 2 1 1 7 U H5 . 7 . H5 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 . . . . . 2.0 2.0 4.0 1 4
2 1 . . . . . 1.8 1.8 3.2 1 4
3 1 . . . . . 2.0 2.0 4.0 1 4
4 1 . . . . . 1.8 1.8 3.2 1 4
5 1 . . . . . 2.0 2.0 4.0 1 4
6 1 . . . . . 2.5 2.5 5.0 1 4
7 1 . . . . . 2.5 2.5 5.0 1 4
8 1 . . . . . 2.5 2.5 5.0 1 4
9 1 . . . . . 2.5 2.5 5.0 1 4
10 1 . . . . . 2.5 2.5 5.0 1 4
11 1 . . . . . 2.5 2.5 5.0 1 4
12 1 . . . . . 3.0 3.0 7.0 1 4
13 1 . . . . . 3.0 3.0 7.0 1 4
14 1 . . . . . 2.5 2.5 5.0 1 4
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 5
_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 5
2 1 . . . 1 5
3 1 . . . 1 5
4 1 . . . 1 5
5 1 . . . 1 5
6 1 . . . 1 5
7 1 . . . 1 5
8 1 . . . 1 5
9 1 . . . 1 5
10 1 . . . 1 5
11 1 . . . 1 5
12 1 . . . 1 5
13 1 . . . 1 5
14 1 . . . 1 5
15 1 . . . 1 5
16 1 . . . 1 5
17 1 . . . 1 5
18 1 . . . 1 5
19 1 . . . 1 5
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 O6 . 1 . O6 1 5
1 1 2 1 1 13 C H41 . 13 . H41 1 5
2 1 1 1 1 1 G H21 . 1 . H21 1 5
2 1 2 1 1 13 C N3 . 13 . N3 1 5
3 1 1 1 1 1 G H21 . 1 . H21 1 5
3 1 2 1 1 13 C O2 . 13 . O2 1 5
4 1 1 1 1 1 G H1 . 1 . H1 1 5
4 1 2 1 1 13 C N3 . 13 . N3 1 5
5 1 1 1 1 2 G O6 . 2 . O6 1 5
5 1 2 1 1 12 C H41 . 12 . H41 1 5
6 1 1 1 1 2 G H21 . 2 . H21 1 5
6 1 2 1 1 12 C N3 . 12 . N3 1 5
7 1 1 1 1 2 G H21 . 2 . H21 1 5
7 1 2 1 1 12 C O2 . 12 . O2 1 5
8 1 1 1 1 2 G H1 . 2 . H1 1 5
8 1 2 1 1 12 C N3 . 12 . N3 1 5
9 1 1 1 1 3 U O2 . 3 . O2 1 5
9 1 2 1 1 11 A H2 . 11 . H2 1 5
10 1 1 1 1 3 U H3 . 3 . H3 1 5
10 1 2 1 1 11 A N1 . 11 . N1 1 5
11 1 1 1 1 3 U O4 . 3 . O4 1 5
11 1 2 1 1 11 A H61 . 11 . H61 1 5
12 1 1 1 1 4 G O6 . 4 . O6 1 5
12 1 2 1 1 10 C H41 . 10 . H41 1 5
13 1 1 1 1 4 G H21 . 4 . H21 1 5
13 1 2 1 1 10 C N3 . 10 . N3 1 5
14 1 1 1 1 4 G H21 . 4 . H21 1 5
14 1 2 1 1 10 C O2 . 10 . O2 1 5
15 1 1 1 1 4 G H1 . 4 . H1 1 5
15 1 2 1 1 10 C N3 . 10 . N3 1 5
16 1 1 1 1 5 C H41 . 5 . H41 1 5
16 1 2 1 1 9 G O6 . 9 . O6 1 5
17 1 1 1 1 5 C N3 . 5 . N3 1 5
17 1 2 1 1 9 G H21 . 9 . H21 1 5
18 1 1 1 1 5 C O2 . 5 . O2 1 5
18 1 2 1 1 9 G H21 . 9 . H21 1 5
19 1 1 1 1 5 C N3 . 5 . N3 1 5
19 1 2 1 1 9 G H1 . 9 . H1 1 5
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 . . . . . 1.7 1.6 1.8 1 5
2 1 . . . . . 3.0 2.9 3.1 1 5
3 1 . . . . . 2.0 1.9 2.1 1 5
4 1 . . . . . 1.9 1.8 2.0 1 5
5 1 . . . . . 1.7 1.6 1.8 1 5
6 1 . . . . . 3.0 2.9 3.1 1 5
7 1 . . . . . 2.0 1.9 2.1 1 5
8 1 . . . . . 1.9 1.8 2.0 1 5
9 1 . . . . . 3.2 3.1 3.3 1 5
10 1 . . . . . 1.9 1.8 2.0 1 5
11 1 . . . . . 1.8 1.7 1.9 1 5
12 1 . . . . . 1.7 1.6 1.8 1 5
13 1 . . . . . 3.0 2.9 3.1 1 5
14 1 . . . . . 2.0 1.9 2.1 1 5
15 1 . . . . . 1.9 1.8 2.0 1 5
16 1 . . . . . 1.7 1.6 3.7 1 5
17 1 . . . . . 3.0 2.9 5.0 1 5
18 1 . . . . . 2.0 1.9 4.0 1 5
19 1 . . . . . 1.9 1.8 3.9 1 5
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 -5.704 -12.065 -3.157 1.00 . A A . 1 G C1' 1 1
1 2 1 1 1 G C2 C -3.810 -9.987 0.167 1.00 . A A . 1 G C2 1 1
1 3 1 1 1 G C2' C -6.762 -10.972 -3.133 1.00 . A A . 1 G C2' 1 1
1 4 1 1 1 G C3' C -6.740 -10.504 -4.578 1.00 . A A . 1 G C3' 1 1
1 5 1 1 1 G C4 C -3.857 -10.888 -1.875 1.00 . A A . 1 G C4 1 1
1 6 1 1 1 G C4' C -6.489 -11.784 -5.370 1.00 . A A . 1 G C4' 1 1
1 7 1 1 1 G C5 C -2.550 -10.573 -2.158 1.00 . A A . 1 G C5 1 1
1 8 1 1 1 G C5' C -5.629 -11.603 -6.617 1.00 . A A . 1 G C5' 1 1
1 9 1 1 1 G C6 C -1.768 -9.889 -1.186 1.00 . A A . 1 G C6 1 1
1 10 1 1 1 G C8 C -3.293 -11.569 -3.880 1.00 . A A . 1 G C8 1 1
1 11 1 1 1 G H1 H -2.016 -9.147 0.712 1.00 . A A . 1 G H1 1 1
1 12 1 1 1 G H1' H -5.899 -12.817 -2.392 1.00 . A A . 1 G H1' 1 1
1 13 1 1 1 G H2' H -6.481 -10.168 -2.454 1.00 . A A . 1 G H2' 1 1
1 14 1 1 1 G H21 H -3.812 -9.141 2.019 1.00 . A A . 1 G H21 1 1
1 15 1 1 1 G H22 H -5.300 -9.934 1.554 1.00 . A A . 1 G H22 1 1
1 16 1 1 1 G H3' H -5.999 -9.727 -4.768 1.00 . A A . 1 G H3' 1 1
1 17 1 1 1 G H4' H -7.435 -12.242 -5.661 1.00 . A A . 1 G H4' 1 1
1 18 1 1 1 G H5' H -5.511 -12.568 -7.110 1.00 . A A . 1 G H5' 1 1
1 19 1 1 1 G H5'' H -6.130 -10.915 -7.297 1.00 . A A . 1 G H5'' 1 1
1 20 1 1 1 G H8 H -3.366 -12.023 -4.869 1.00 . A A . 1 G H8 1 1
1 21 1 1 1 G HO2' H -8.424 -10.952 -2.121 1.00 . A A . 1 G HO2' 1 1
1 22 1 1 1 G HO5' H -3.941 -10.774 -7.113 1.00 . A A . 1 G HO5' 1 1
1 23 1 1 1 G N1 N -2.494 -9.632 -0.034 1.00 . A A . 1 G N1 1 1
1 24 1 1 1 G N2 N -4.351 -9.661 1.341 1.00 . A A . 1 G N2 1 1
1 25 1 1 1 G N3 N -4.554 -10.629 -0.740 1.00 . A A . 1 G N3 1 1
1 26 1 1 1 G N7 N -2.204 -11.009 -3.432 1.00 . A A . 1 G N7 1 1
1 27 1 1 1 G N9 N -4.338 -11.534 -2.991 1.00 . A A . 1 G N9 1 1
1 28 1 1 1 G O2' O -8.042 -11.516 -2.798 1.00 . A A . 1 G O2' 1 1
1 29 1 1 1 G O3' O -8.063 -10.064 -4.897 1.00 . A A . 1 G O3' 1 1
1 30 1 1 1 G O4' O -5.812 -12.662 -4.456 1.00 . A A . 1 G O4' 1 1
1 31 1 1 1 G O5' O -4.337 -11.083 -6.294 1.00 . A A . 1 G O5' 1 1
1 32 1 1 1 G O6 O -0.595 -9.533 -1.266 1.00 . A A . 1 G O6 1 1
1 33 1 1 2 G C1' C -7.374 -7.576 0.358 1.00 . A A . 2 G C1' 1 1
1 34 1 1 2 G C2 C -3.503 -6.531 2.059 1.00 . A A . 2 G C2 1 1
1 35 1 1 2 G C2' C -8.174 -6.275 0.366 1.00 . A A . 2 G C2' 1 1
1 36 1 1 2 G C3' C -8.950 -6.382 -0.934 1.00 . A A . 2 G C3' 1 1
1 37 1 1 2 G C4 C -4.885 -7.078 0.393 1.00 . A A . 2 G C4 1 1
1 38 1 1 2 G C4' C -9.285 -7.861 -1.005 1.00 . A A . 2 G C4' 1 1
1 39 1 1 2 G C5 C -3.904 -7.042 -0.569 1.00 . A A . 2 G C5 1 1
1 40 1 1 2 G C5' C -9.509 -8.403 -2.414 1.00 . A A . 2 G C5' 1 1
1 41 1 1 2 G C6 C -2.569 -6.718 -0.198 1.00 . A A . 2 G C6 1 1
1 42 1 1 2 G C8 C -5.696 -7.562 -1.583 1.00 . A A . 2 G C8 1 1
1 43 1 1 2 G H1 H -1.546 -6.234 1.514 1.00 . A A . 2 G H1 1 1
1 44 1 1 2 G H1' H -7.254 -7.967 1.368 1.00 . A A . 2 G H1' 1 1
1 45 1 1 2 G H2' H -7.514 -5.410 0.360 1.00 . A A . 2 G H2' 1 1
1 46 1 1 2 G H21 H -2.280 -5.980 3.591 1.00 . A A . 2 G H21 1 1
1 47 1 1 2 G H22 H -3.935 -6.331 4.039 1.00 . A A . 2 G H22 1 1
1 48 1 1 2 G H3' H -8.397 -6.021 -1.801 1.00 . A A . 2 G H3' 1 1
1 49 1 1 2 G H4' H -10.162 -8.085 -0.398 1.00 . A A . 2 G H4' 1 1
1 50 1 1 2 G H5' H -9.711 -9.472 -2.355 1.00 . A A . 2 G H5' 1 1
1 51 1 1 2 G H5'' H -10.371 -7.902 -2.854 1.00 . A A . 2 G H5'' 1 1
1 52 1 1 2 G H8 H -6.411 -7.827 -2.362 1.00 . A A . 2 G H8 1 1
1 53 1 1 2 G HO2' H -9.959 -6.191 1.134 1.00 . A A . 2 G HO2' 1 1
1 54 1 1 2 G N1 N -2.462 -6.473 1.161 1.00 . A A . 2 G N1 1 1
1 55 1 1 2 G N2 N -3.216 -6.259 3.333 1.00 . A A . 2 G N2 1 1
1 56 1 1 2 G N3 N -4.761 -6.835 1.723 1.00 . A A . 2 G N3 1 1
1 57 1 1 2 G N7 N -4.431 -7.351 -1.818 1.00 . A A . 2 G N7 1 1
1 58 1 1 2 G N9 N -6.045 -7.415 -0.265 1.00 . A A . 2 G N9 1 1
1 59 1 1 2 G O2' O -9.066 -6.240 1.483 1.00 . A A . 2 G O2' 1 1
1 60 1 1 2 G O3' O -10.179 -5.673 -0.753 1.00 . A A . 2 G O3' 1 1
1 61 1 1 2 G O4' O -8.143 -8.505 -0.427 1.00 . A A . 2 G O4' 1 1
1 62 1 1 2 G O5' O -8.369 -8.189 -3.250 1.00 . A A . 2 G O5' 1 1
1 63 1 1 2 G O6 O -1.575 -6.641 -0.917 1.00 . A A . 2 G O6 1 1
1 64 1 1 2 G OP1 O -9.851 -8.347 -5.263 1.00 . A A . 2 G OP1 1 1
1 65 1 1 2 G OP2 O -7.375 -7.732 -5.503 1.00 . A A . 2 G OP2 1 1
1 66 1 1 2 G P P -8.444 -8.501 -4.828 1.00 . A A . 2 G P 1 1
1 67 1 1 3 U C1' C -6.346 -2.780 2.242 1.00 . A A . 3 U C1' 1 1
1 68 1 1 3 U C2 C -4.068 -3.388 1.515 1.00 . A A . 3 U C2 1 1
1 69 1 1 3 U C2' C -6.689 -1.293 2.124 1.00 . A A . 3 U C2' 1 1
1 70 1 1 3 U C3' C -8.049 -1.321 1.443 1.00 . A A . 3 U C3' 1 1
1 71 1 1 3 U C4 C -3.597 -3.995 -0.825 1.00 . A A . 3 U C4 1 1
1 72 1 1 3 U C4' C -8.681 -2.578 2.003 1.00 . A A . 3 U C4' 1 1
1 73 1 1 3 U C5 C -5.001 -3.793 -1.099 1.00 . A A . 3 U C5 1 1
1 74 1 1 3 U C5' C -9.791 -3.181 1.148 1.00 . A A . 3 U C5' 1 1
1 75 1 1 3 U C6 C -5.843 -3.415 -0.104 1.00 . A A . 3 U C6 1 1
1 76 1 1 3 U H1' H -5.931 -3.004 3.227 1.00 . A A . 3 U H1' 1 1
1 77 1 1 3 U H2' H -5.958 -0.777 1.509 1.00 . A A . 3 U H2' 1 1
1 78 1 1 3 U H3 H -2.254 -3.903 0.718 1.00 . A A . 3 U H3 1 1
1 79 1 1 3 U H3' H -7.990 -1.313 0.355 1.00 . A A . 3 U H3' 1 1
1 80 1 1 3 U H4' H -9.065 -2.399 3.007 1.00 . A A . 3 U H4' 1 1
1 81 1 1 3 U H5 H -5.385 -3.944 -2.108 1.00 . A A . 3 U H5 1 1
1 82 1 1 3 U H5' H -10.066 -4.152 1.559 1.00 . A A . 3 U H5' 1 1
1 83 1 1 3 U H5'' H -10.660 -2.524 1.180 1.00 . A A . 3 U H5'' 1 1
1 84 1 1 3 U H6 H -6.897 -3.265 -0.332 1.00 . A A . 3 U H6 1 1
1 85 1 1 3 U HO2' H -5.947 -0.270 3.602 1.00 . A A . 3 U HO2' 1 1
1 86 1 1 3 U N1 N -5.403 -3.213 1.178 1.00 . A A . 3 U N1 1 1
1 87 1 1 3 U N3 N -3.229 -3.773 0.488 1.00 . A A . 3 U N3 1 1
1 88 1 1 3 U O2 O -3.649 -3.214 2.657 1.00 . A A . 3 U O2 1 1
1 89 1 1 3 U O2' O -6.787 -0.696 3.420 1.00 . A A . 3 U O2' 1 1
1 90 1 1 3 U O3' O -8.794 -0.208 1.943 1.00 . A A . 3 U O3' 1 1
1 91 1 1 3 U O4 O -2.754 -4.335 -1.652 1.00 . A A . 3 U O4 1 1
1 92 1 1 3 U O4' O -7.586 -3.492 2.081 1.00 . A A . 3 U O4' 1 1
1 93 1 1 3 U O5' O -9.384 -3.350 -0.212 1.00 . A A . 3 U O5' 1 1
1 94 1 1 3 U OP1 O -11.722 -3.719 -1.032 1.00 . A A . 3 U OP1 1 1
1 95 1 1 3 U OP2 O -9.720 -4.040 -2.597 1.00 . A A . 3 U OP2 1 1
1 96 1 1 3 U P P -10.323 -4.147 -1.250 1.00 . A A . 3 U P 1 1
1 97 1 1 4 G C1' C -3.169 1.809 2.159 1.00 . A A . 4 G C1' 1 1
1 98 1 1 4 G C2 C 0.109 -0.394 0.315 1.00 . A A . 4 G C2 1 1
1 99 1 1 4 G C2' C -3.282 3.294 1.833 1.00 . A A . 4 G C2' 1 1
1 100 1 1 4 G C3' C -4.787 3.504 1.866 1.00 . A A . 4 G C3' 1 1
1 101 1 1 4 G C4 C -2.008 0.300 0.475 1.00 . A A . 4 G C4 1 1
1 102 1 1 4 G C4' C -5.214 2.617 3.020 1.00 . A A . 4 G C4' 1 1
1 103 1 1 4 G C5 C -2.423 -0.385 -0.643 1.00 . A A . 4 G C5 1 1
1 104 1 1 4 G C5' C -6.669 2.158 2.982 1.00 . A A . 4 G C5' 1 1
1 105 1 1 4 G C6 C -1.486 -1.167 -1.377 1.00 . A A . 4 G C6 1 1
1 106 1 1 4 G C8 C -4.143 0.618 0.102 1.00 . A A . 4 G C8 1 1
1 107 1 1 4 G H1 H 0.509 -1.633 -1.273 1.00 . A A . 4 G H1 1 1
1 108 1 1 4 G H1' H -2.288 1.627 2.758 1.00 . A A . 4 G H1' 1 1
1 109 1 1 4 G H2' H -2.868 3.509 0.856 1.00 . A A . 4 G H2' 1 1
1 110 1 1 4 G H21 H 2.056 -0.970 0.171 1.00 . A A . 4 G H21 1 1
1 111 1 1 4 G H22 H 1.665 0.018 1.562 1.00 . A A . 4 G H22 1 1
1 112 1 1 4 G H3' H -5.281 3.264 0.924 1.00 . A A . 4 G H3' 1 1
1 113 1 1 4 G H4' H -5.029 3.115 3.972 1.00 . A A . 4 G H4' 1 1
1 114 1 1 4 G H5' H -6.837 1.442 3.788 1.00 . A A . 4 G H5' 1 1
1 115 1 1 4 G H5'' H -7.316 3.022 3.134 1.00 . A A . 4 G H5'' 1 1
1 116 1 1 4 G H8 H -5.164 0.972 0.229 1.00 . A A . 4 G H8 1 1
1 117 1 1 4 G HO2' H -2.888 4.994 2.693 1.00 . A A . 4 G HO2' 1 1
1 118 1 1 4 G N1 N -0.222 -1.111 -0.813 1.00 . A A . 4 G N1 1 1
1 119 1 1 4 G N2 N 1.379 -0.454 0.715 1.00 . A A . 4 G N2 1 1
1 120 1 1 4 G N3 N -0.762 0.344 1.012 1.00 . A A . 4 G N3 1 1
1 121 1 1 4 G N7 N -3.779 -0.175 -0.869 1.00 . A A . 4 G N7 1 1
1 122 1 1 4 G N9 N -3.123 0.951 0.956 1.00 . A A . 4 G N9 1 1
1 123 1 1 4 G O2' O -2.647 4.078 2.847 1.00 . A A . 4 G O2' 1 1
1 124 1 1 4 G O3' O -5.018 4.858 2.267 1.00 . A A . 4 G O3' 1 1
1 125 1 1 4 G O4' O -4.348 1.480 2.917 1.00 . A A . 4 G O4' 1 1
1 126 1 1 4 G O5' O -7.002 1.542 1.736 1.00 . A A . 4 G O5' 1 1
1 127 1 1 4 G O6 O -1.676 -1.834 -2.393 1.00 . A A . 4 G O6 1 1
1 128 1 1 4 G OP1 O -9.385 2.220 2.111 1.00 . A A . 4 G OP1 1 1
1 129 1 1 4 G OP2 O -8.647 1.202 -0.122 1.00 . A A . 4 G OP2 1 1
1 130 1 1 4 G P P -8.542 1.268 1.353 1.00 . A A . 4 G P 1 1
1 131 1 1 5 C C1' C -1.603 5.513 -1.412 1.00 . A A . 5 C C1' 1 1
1 132 1 1 5 C C2 C -1.942 3.433 -2.661 1.00 . A A . 5 C C2 1 1
1 133 1 1 5 C C2' C -1.761 6.671 -2.375 1.00 . A A . 5 C C2' 1 1
1 134 1 1 5 C C3' C -2.816 7.531 -1.703 1.00 . A A . 5 C C3' 1 1
1 135 1 1 5 C C4 C -4.036 2.373 -2.686 1.00 . A A . 5 C C4 1 1
1 136 1 1 5 C C4' C -2.578 7.291 -0.227 1.00 . A A . 5 C C4' 1 1
1 137 1 1 5 C C5 C -4.570 3.370 -1.810 1.00 . A A . 5 C C5 1 1
1 138 1 1 5 C C5' C -3.824 7.364 0.637 1.00 . A A . 5 C C5' 1 1
1 139 1 1 5 C C6 C -3.751 4.347 -1.406 1.00 . A A . 5 C C6 1 1
1 140 1 1 5 C H1' H -0.573 5.195 -1.346 1.00 . A A . 5 C H1' 1 1
1 141 1 1 5 C H2' H -2.119 6.298 -3.324 1.00 . A A . 5 C H2' 1 1
1 142 1 1 5 C H3' H -3.832 7.298 -2.021 1.00 . A A . 5 C H3' 1 1
1 143 1 1 5 C H4' H -1.850 8.007 0.141 1.00 . A A . 5 C H4' 1 1
1 144 1 1 5 C H41 H -4.382 0.652 -3.716 1.00 . A A . 5 C H41 1 1
1 145 1 1 5 C H42 H -5.766 1.318 -2.879 1.00 . A A . 5 C H42 1 1
1 146 1 1 5 C H5 H -5.604 3.354 -1.482 1.00 . A A . 5 C H5 1 1
1 147 1 1 5 C H5' H -3.546 7.226 1.682 1.00 . A A . 5 C H5' 1 1
1 148 1 1 5 C H5'' H -4.271 8.341 0.514 1.00 . A A . 5 C H5'' 1 1
1 149 1 1 5 C H6 H -4.111 5.106 -0.724 1.00 . A A . 5 C H6 1 1
1 150 1 1 5 C HO2' H -0.641 7.993 -3.259 1.00 . A A . 5 C HO2' 1 1
1 151 1 1 5 C N1 N -2.465 4.393 -1.816 1.00 . A A . 5 C N1 1 1
1 152 1 1 5 C N3 N -2.757 2.425 -3.084 1.00 . A A . 5 C N3 1 1
1 153 1 1 5 C N4 N -4.789 1.366 -3.129 1.00 . A A . 5 C N4 1 1
1 154 1 1 5 C O2 O -0.771 3.508 -3.021 1.00 . A A . 5 C O2 1 1
1 155 1 1 5 C O2' O -0.533 7.389 -2.521 1.00 . A A . 5 C O2' 1 1
1 156 1 1 5 C O3' O -2.470 8.904 -1.975 1.00 . A A . 5 C O3' 1 1
1 157 1 1 5 C O4' O -2.029 5.981 -0.134 1.00 . A A . 5 C O4' 1 1
1 158 1 1 5 C O5' O -4.779 6.365 0.272 1.00 . A A . 5 C O5' 1 1
1 159 1 1 5 C OP1 O -6.292 7.013 2.159 1.00 . A A . 5 C OP1 1 1
1 160 1 1 5 C OP2 O -6.890 5.060 0.612 1.00 . A A . 5 C OP2 1 1
1 161 1 1 5 C P P -5.874 5.856 1.336 1.00 . A A . 5 C P 1 1
1 162 1 1 6 A C1' C 1.337 8.974 -0.123 1.00 . A A . 6 A C1' 1 1
1 163 1 1 6 A C2 C 3.667 5.997 -2.166 1.00 . A A . 6 A C2 1 1
1 164 1 1 6 A C2' C 0.556 9.458 -1.318 1.00 . A A . 6 A C2' 1 1
1 165 1 1 6 A C3' C 0.235 10.881 -0.900 1.00 . A A . 6 A C3' 1 1
1 166 1 1 6 A C4 C 2.150 6.676 -0.750 1.00 . A A . 6 A C4 1 1
1 167 1 1 6 A C4' C 0.025 10.786 0.610 1.00 . A A . 6 A C4' 1 1
1 168 1 1 6 A C5 C 1.840 5.406 -0.362 1.00 . A A . 6 A C5 1 1
1 169 1 1 6 A C5' C -1.438 10.790 1.051 1.00 . A A . 6 A C5' 1 1
1 170 1 1 6 A C6 C 2.558 4.370 -0.978 1.00 . A A . 6 A C6 1 1
1 171 1 1 6 A C8 C 0.575 6.690 0.751 1.00 . A A . 6 A C8 1 1
1 172 1 1 6 A H1' H 2.364 9.337 -0.153 1.00 . A A . 6 A H1' 1 1
1 173 1 1 6 A H2 H 4.404 6.211 -2.929 1.00 . A A . 6 A H2 1 1
1 174 1 1 6 A H2' H -0.351 8.866 -1.446 1.00 . A A . 6 A H2' 1 1
1 175 1 1 6 A H3' H -0.618 11.298 -1.426 1.00 . A A . 6 A H3' 1 1
1 176 1 1 6 A H4' H 0.535 11.609 1.109 1.00 . A A . 6 A H4' 1 1
1 177 1 1 6 A H5' H -1.484 10.600 2.123 1.00 . A A . 6 A H5' 1 1
1 178 1 1 6 A H5'' H -1.866 11.770 0.846 1.00 . A A . 6 A H5'' 1 1
1 179 1 1 6 A H61 H 2.915 2.377 -1.188 1.00 . A A . 6 A H61 1 1
1 180 1 1 6 A H62 H 1.694 2.802 -0.009 1.00 . A A . 6 A H62 1 1
1 181 1 1 6 A H8 H -0.207 7.061 1.396 1.00 . A A . 6 A H8 1 1
1 182 1 1 6 A HO2' H 1.177 8.621 -2.960 1.00 . A A . 6 A HO2' 1 1
1 183 1 1 6 A N1 N 3.480 4.712 -1.891 1.00 . A A . 6 A N1 1 1
1 184 1 1 6 A N3 N 3.065 7.054 -1.658 1.00 . A A . 6 A N3 1 1
1 185 1 1 6 A N6 N 2.374 3.079 -0.703 1.00 . A A . 6 A N6 1 1
1 186 1 1 6 A N7 N 0.836 5.420 0.598 1.00 . A A . 6 A N7 1 1
1 187 1 1 6 A N9 N 1.338 7.506 -0.030 1.00 . A A . 6 A N9 1 1
1 188 1 1 6 A O2' O 1.368 9.438 -2.493 1.00 . A A . 6 A O2' 1 1
1 189 1 1 6 A O3' O 1.418 11.657 -1.109 1.00 . A A . 6 A O3' 1 1
1 190 1 1 6 A O4' O 0.660 9.551 1.000 1.00 . A A . 6 A O4' 1 1
1 191 1 1 6 A O5' O -2.208 9.796 0.371 1.00 . A A . 6 A O5' 1 1
1 192 1 1 6 A OP1 O -4.423 9.961 -0.799 1.00 . A A . 6 A OP1 1 1
1 193 1 1 6 A OP2 O -2.432 11.383 -1.562 1.00 . A A . 6 A OP2 1 1
1 194 1 1 6 A P P -2.967 10.114 -1.020 1.00 . A A . 6 A P 1 1
1 195 1 1 7 U C1' C 4.507 11.616 -4.989 1.00 . A A . 7 U C1' 1 1
1 196 1 1 7 U C2 C 6.783 11.898 -4.068 1.00 . A A . 7 U C2 1 1
1 197 1 1 7 U C2' C 3.920 10.275 -5.403 1.00 . A A . 7 U C2' 1 1
1 198 1 1 7 U C3' C 2.547 10.679 -5.920 1.00 . A A . 7 U C3' 1 1
1 199 1 1 7 U C4 C 7.300 11.276 -1.741 1.00 . A A . 7 U C4 1 1
1 200 1 1 7 U C4' C 2.162 11.896 -5.082 1.00 . A A . 7 U C4' 1 1
1 201 1 1 7 U C5 C 5.919 10.873 -1.603 1.00 . A A . 7 U C5 1 1
1 202 1 1 7 U C5' C 1.199 11.598 -3.938 1.00 . A A . 7 U C5' 1 1
1 203 1 1 7 U C6 C 5.065 10.992 -2.651 1.00 . A A . 7 U C6 1 1
1 204 1 1 7 U H1' H 4.972 12.114 -5.842 1.00 . A A . 7 U H1' 1 1
1 205 1 1 7 U H2' H 3.835 9.599 -4.554 1.00 . A A . 7 U H2' 1 1
1 206 1 1 7 U H3 H 8.592 12.063 -3.122 1.00 . A A . 7 U H3 1 1
1 207 1 1 7 U H3' H 1.818 9.874 -5.859 1.00 . A A . 7 U H3' 1 1
1 208 1 1 7 U H4' H 1.723 12.667 -5.715 1.00 . A A . 7 U H4' 1 1
1 209 1 1 7 U H5 H 5.562 10.472 -0.654 1.00 . A A . 7 U H5 1 1
1 210 1 1 7 U H5' H 0.314 11.102 -4.336 1.00 . A A . 7 U H5' 1 1
1 211 1 1 7 U H5'' H 1.686 10.928 -3.229 1.00 . A A . 7 U H5'' 1 1
1 212 1 1 7 U H6 H 4.027 10.686 -2.525 1.00 . A A . 7 U H6 1 1
1 213 1 1 7 U HO2' H 4.096 9.473 -7.167 1.00 . A A . 7 U HO2' 1 1
1 214 1 1 7 U N1 N 5.471 11.491 -3.863 1.00 . A A . 7 U N1 1 1
1 215 1 1 7 U N3 N 7.635 11.769 -2.988 1.00 . A A . 7 U N3 1 1
1 216 1 1 7 U O2 O 7.172 12.353 -5.142 1.00 . A A . 7 U O2 1 1
1 217 1 1 7 U O2' O 4.698 9.690 -6.451 1.00 . A A . 7 U O2' 1 1
1 218 1 1 7 U O3' O 2.723 11.137 -7.264 1.00 . A A . 7 U O3' 1 1
1 219 1 1 7 U O4 O 8.151 11.208 -0.857 1.00 . A A . 7 U O4 1 1
1 220 1 1 7 U O4' O 3.392 12.394 -4.541 1.00 . A A . 7 U O4' 1 1
1 221 1 1 7 U O5' O 0.798 12.796 -3.261 1.00 . A A . 7 U O5' 1 1
1 222 1 1 7 U OP1 O 2.695 13.672 -1.874 1.00 . A A . 7 U OP1 1 1
1 223 1 1 7 U OP2 O 0.273 13.884 -1.064 1.00 . A A . 7 U OP2 1 1
1 224 1 1 7 U P P 1.325 13.121 -1.772 1.00 . A A . 7 U P 1 1
1 225 1 1 8 G C1' C 0.703 6.738 -5.097 1.00 . A A . 8 G C1' 1 1
1 226 1 1 8 G C2 C -2.386 9.791 -4.780 1.00 . A A . 8 G C2 1 1
1 227 1 1 8 G C2' C 1.508 5.556 -5.600 1.00 . A A . 8 G C2' 1 1
1 228 1 1 8 G C3' C 1.684 5.953 -7.057 1.00 . A A . 8 G C3' 1 1
1 229 1 1 8 G C4 C -1.591 7.798 -5.398 1.00 . A A . 8 G C4 1 1
1 230 1 1 8 G C4' C 1.805 7.483 -7.009 1.00 . A A . 8 G C4' 1 1
1 231 1 1 8 G C5 C -2.767 7.402 -5.990 1.00 . A A . 8 G C5 1 1
1 232 1 1 8 G C5' C 0.958 8.217 -8.041 1.00 . A A . 8 G C5' 1 1
1 233 1 1 8 G C6 C -3.885 8.279 -5.989 1.00 . A A . 8 G C6 1 1
1 234 1 1 8 G C8 C -1.417 5.782 -6.245 1.00 . A A . 8 G C8 1 1
1 235 1 1 8 G H1 H -4.338 10.159 -5.302 1.00 . A A . 8 G H1 1 1
1 236 1 1 8 G H1' H 0.749 6.814 -4.010 1.00 . A A . 8 G H1' 1 1
1 237 1 1 8 G H2' H 0.964 4.620 -5.496 1.00 . A A . 8 G H2' 1 1
1 238 1 1 8 G H21 H -3.051 11.646 -4.265 1.00 . A A . 8 G H21 1 1
1 239 1 1 8 G H22 H -1.448 11.237 -3.696 1.00 . A A . 8 G H22 1 1
1 240 1 1 8 G H3' H 0.879 5.601 -7.702 1.00 . A A . 8 G H3' 1 1
1 241 1 1 8 G H4' H 2.845 7.785 -7.130 1.00 . A A . 8 G H4' 1 1
1 242 1 1 8 G H5' H 1.451 8.144 -9.011 1.00 . A A . 8 G H5' 1 1
1 243 1 1 8 G H5'' H -0.019 7.739 -8.101 1.00 . A A . 8 G H5'' 1 1
1 244 1 1 8 G H8 H -0.997 4.824 -6.542 1.00 . A A . 8 G H8 1 1
1 245 1 1 8 G HO2' H 3.393 5.077 -5.549 1.00 . A A . 8 G HO2' 1 1
1 246 1 1 8 G N1 N -3.598 9.473 -5.350 1.00 . A A . 8 G N1 1 1
1 247 1 1 8 G N2 N -2.287 10.988 -4.199 1.00 . A A . 8 G N2 1 1
1 248 1 1 8 G N3 N -1.327 8.974 -4.775 1.00 . A A . 8 G N3 1 1
1 249 1 1 8 G N7 N -2.642 6.126 -6.521 1.00 . A A . 8 G N7 1 1
1 250 1 1 8 G N9 N -0.711 6.749 -5.560 1.00 . A A . 8 G N9 1 1
1 251 1 1 8 G O2' O 2.776 5.494 -4.942 1.00 . A A . 8 G O2' 1 1
1 252 1 1 8 G O3' O 2.950 5.453 -7.473 1.00 . A A . 8 G O3' 1 1
1 253 1 1 8 G O4' O 1.364 7.849 -5.693 1.00 . A A . 8 G O4' 1 1
1 254 1 1 8 G O5' O 0.780 9.597 -7.699 1.00 . A A . 8 G O5' 1 1
1 255 1 1 8 G O6 O -5.002 8.090 -6.467 1.00 . A A . 8 G O6 1 1
1 256 1 1 8 G OP1 O 2.403 10.121 -9.532 1.00 . A A . 8 G OP1 1 1
1 257 1 1 8 G OP2 O 0.793 11.915 -8.660 1.00 . A A . 8 G OP2 1 1
1 258 1 1 8 G P P 1.663 10.742 -8.411 1.00 . A A . 8 G P 1 1
1 259 1 1 9 G C1' C 3.764 2.451 -6.176 1.00 . A A . 9 G C1' 1 1
1 260 1 1 9 G C2 C 0.591 1.219 -3.434 1.00 . A A . 9 G C2 1 1
1 261 1 1 9 G C2' C 4.474 1.773 -7.341 1.00 . A A . 9 G C2' 1 1
1 262 1 1 9 G C3' C 5.841 2.438 -7.296 1.00 . A A . 9 G C3' 1 1
1 263 1 1 9 G C4 C 1.390 1.992 -5.369 1.00 . A A . 9 G C4 1 1
1 264 1 1 9 G C4' C 5.562 3.852 -6.791 1.00 . A A . 9 G C4' 1 1
1 265 1 1 9 G C5 C 0.152 2.050 -5.968 1.00 . A A . 9 G C5 1 1
1 266 1 1 9 G C5' C 5.627 4.936 -7.865 1.00 . A A . 9 G C5' 1 1
1 267 1 1 9 G C6 C -1.000 1.648 -5.242 1.00 . A A . 9 G C6 1 1
1 268 1 1 9 G C8 C 1.532 2.738 -7.421 1.00 . A A . 9 G C8 1 1
1 269 1 1 9 G H1 H -1.440 0.929 -3.374 1.00 . A A . 9 G H1 1 1
1 270 1 1 9 G H1' H 4.042 1.989 -5.228 1.00 . A A . 9 G H1' 1 1
1 271 1 1 9 G H2' H 3.970 1.984 -8.284 1.00 . A A . 9 G H2' 1 1
1 272 1 1 9 G H21 H -0.133 0.677 -1.615 1.00 . A A . 9 G H21 1 1
1 273 1 1 9 G H22 H 1.606 0.809 -1.721 1.00 . A A . 9 G H22 1 1
1 274 1 1 9 G H3' H 6.356 2.421 -8.257 1.00 . A A . 9 G H3' 1 1
1 275 1 1 9 G H4' H 6.272 4.109 -6.007 1.00 . A A . 9 G H4' 1 1
1 276 1 1 9 G H5' H 5.346 5.892 -7.422 1.00 . A A . 9 G H5' 1 1
1 277 1 1 9 G H5'' H 6.650 5.005 -8.231 1.00 . A A . 9 G H5'' 1 1
1 278 1 1 9 G H8 H 1.949 3.155 -8.327 1.00 . A A . 9 G H8 1 1
1 279 1 1 9 G HO2' H 4.656 -0.054 -7.984 1.00 . A A . 9 G HO2' 1 1
1 280 1 1 9 G N1 N -0.678 1.239 -3.961 1.00 . A A . 9 G N1 1 1
1 281 1 1 9 G N2 N 0.697 0.870 -2.154 1.00 . A A . 9 G N2 1 1
1 282 1 1 9 G N3 N 1.687 1.587 -4.108 1.00 . A A . 9 G N3 1 1
1 283 1 1 9 G N7 N 0.258 2.523 -7.266 1.00 . A A . 9 G N7 1 1
1 284 1 1 9 G N9 N 2.288 2.433 -6.319 1.00 . A A . 9 G N9 1 1
1 285 1 1 9 G O2' O 4.590 0.365 -7.121 1.00 . A A . 9 G O2' 1 1
1 286 1 1 9 G O3' O 6.604 1.783 -6.284 1.00 . A A . 9 G O3' 1 1
1 287 1 1 9 G O4' O 4.244 3.801 -6.207 1.00 . A A . 9 G O4' 1 1
1 288 1 1 9 G O5' O 4.765 4.654 -8.971 1.00 . A A . 9 G O5' 1 1
1 289 1 1 9 G O6 O -2.170 1.629 -5.617 1.00 . A A . 9 G O6 1 1
1 290 1 1 9 G OP1 O 3.428 6.673 -9.608 1.00 . A A . 9 G OP1 1 1
1 291 1 1 9 G OP2 O 2.374 4.334 -9.637 1.00 . A A . 9 G OP2 1 1
1 292 1 1 9 G P P 3.304 5.315 -9.034 1.00 . A A . 9 G P 1 1
1 293 1 1 10 C C1' C 4.988 0.176 -3.147 1.00 . A A . 10 C C1' 1 1
1 294 1 1 10 C C2 C 2.820 -0.803 -2.549 1.00 . A A . 10 C C2 1 1
1 295 1 1 10 C C2' C 5.843 -0.756 -2.298 1.00 . A A . 10 C C2' 1 1
1 296 1 1 10 C C3' C 6.686 -1.443 -3.353 1.00 . A A . 10 C C3' 1 1
1 297 1 1 10 C C4 C 1.346 -1.617 -4.183 1.00 . A A . 10 C C4 1 1
1 298 1 1 10 C C4' C 6.972 -0.328 -4.340 1.00 . A A . 10 C C4' 1 1
1 299 1 1 10 C C5 C 2.270 -1.269 -5.221 1.00 . A A . 10 C C5 1 1
1 300 1 1 10 C C5' C 7.268 -0.789 -5.771 1.00 . A A . 10 C C5' 1 1
1 301 1 1 10 C C6 C 3.435 -0.701 -4.857 1.00 . A A . 10 C C6 1 1
1 302 1 1 10 C H1' H 4.772 1.107 -2.618 1.00 . A A . 10 C H1' 1 1
1 303 1 1 10 C H2' H 5.226 -1.473 -1.772 1.00 . A A . 10 C H2' 1 1
1 304 1 1 10 C H3' H 6.193 -2.303 -3.807 1.00 . A A . 10 C H3' 1 1
1 305 1 1 10 C H4' H 7.800 0.287 -3.991 1.00 . A A . 10 C H4' 1 1
1 306 1 1 10 C H41 H -0.499 -2.347 -3.721 1.00 . A A . 10 C H41 1 1
1 307 1 1 10 C H42 H -0.052 -2.444 -5.411 1.00 . A A . 10 C H42 1 1
1 308 1 1 10 C H5 H 2.041 -1.443 -6.273 1.00 . A A . 10 C H5 1 1
1 309 1 1 10 C H5' H 7.553 -1.843 -5.766 1.00 . A A . 10 C H5' 1 1
1 310 1 1 10 C H5'' H 6.371 -0.666 -6.377 1.00 . A A . 10 C H5'' 1 1
1 311 1 1 10 C H6 H 4.173 -0.445 -5.610 1.00 . A A . 10 C H6 1 1
1 312 1 1 10 C HO2' H 7.580 -0.180 -1.640 1.00 . A A . 10 C HO2' 1 1
1 313 1 1 10 C N1 N 3.717 -0.464 -3.549 1.00 . A A . 10 C N1 1 1
1 314 1 1 10 C N3 N 1.638 -1.382 -2.897 1.00 . A A . 10 C N3 1 1
1 315 1 1 10 C N4 N 0.171 -2.182 -4.461 1.00 . A A . 10 C N4 1 1
1 316 1 1 10 C O2 O 3.096 -0.581 -1.371 1.00 . A A . 10 C O2 1 1
1 317 1 1 10 C O2' O 6.667 -0.013 -1.396 1.00 . A A . 10 C O2' 1 1
1 318 1 1 10 C O3' O 7.931 -1.794 -2.742 1.00 . A A . 10 C O3' 1 1
1 319 1 1 10 C O4' O 5.771 0.457 -4.326 1.00 . A A . 10 C O4' 1 1
1 320 1 1 10 C O5' O 8.327 -0.027 -6.351 1.00 . A A . 10 C O5' 1 1
1 321 1 1 10 C OP1 O 8.884 2.188 -5.329 1.00 . A A . 10 C OP1 1 1
1 322 1 1 10 C OP2 O 8.544 1.957 -7.859 1.00 . A A . 10 C OP2 1 1
1 323 1 1 10 C P P 8.187 1.567 -6.477 1.00 . A A . 10 C P 1 1
1 324 1 1 11 A C1' C 4.386 -2.356 2.165 1.00 . A A . 11 A C1' 1 1
1 325 1 1 11 A C2 C 0.088 -2.992 2.129 1.00 . A A . 11 A C2 1 1
1 326 1 1 11 A C2' C 5.097 -3.476 2.913 1.00 . A A . 11 A C2' 1 1
1 327 1 1 11 A C3' C 6.454 -3.532 2.238 1.00 . A A . 11 A C3' 1 1
1 328 1 1 11 A C4 C 2.113 -3.059 1.286 1.00 . A A . 11 A C4 1 1
1 329 1 1 11 A C4' C 6.710 -2.099 1.814 1.00 . A A . 11 A C4' 1 1
1 330 1 1 11 A C5 C 1.688 -3.660 0.136 1.00 . A A . 11 A C5 1 1
1 331 1 1 11 A C5' C 7.614 -1.954 0.594 1.00 . A A . 11 A C5' 1 1
1 332 1 1 11 A C6 C 0.313 -3.924 0.037 1.00 . A A . 11 A C6 1 1
1 333 1 1 11 A C8 C 3.785 -3.427 -0.070 1.00 . A A . 11 A C8 1 1
1 334 1 1 11 A H1' H 3.832 -1.714 2.849 1.00 . A A . 11 A H1' 1 1
1 335 1 1 11 A H2 H -0.595 -2.740 2.939 1.00 . A A . 11 A H2 1 1
1 336 1 1 11 A H2' H 4.568 -4.414 2.775 1.00 . A A . 11 A H2' 1 1
1 337 1 1 11 A H3' H 6.493 -4.240 1.410 1.00 . A A . 11 A H3' 1 1
1 338 1 1 11 A H4' H 7.132 -1.523 2.638 1.00 . A A . 11 A H4' 1 1
1 339 1 1 11 A H5' H 7.716 -0.897 0.348 1.00 . A A . 11 A H5' 1 1
1 340 1 1 11 A H5'' H 8.597 -2.362 0.828 1.00 . A A . 11 A H5'' 1 1
1 341 1 1 11 A H61 H -1.236 -4.725 -1.014 1.00 . A A . 11 A H61 1 1
1 342 1 1 11 A H62 H 0.308 -4.726 -1.835 1.00 . A A . 11 A H62 1 1
1 343 1 1 11 A H8 H 4.804 -3.478 -0.444 1.00 . A A . 11 A H8 1 1
1 344 1 1 11 A HO2' H 6.173 -3.003 4.462 1.00 . A A . 11 A HO2' 1 1
1 345 1 1 11 A N1 N -0.467 -3.570 1.070 1.00 . A A . 11 A N1 1 1
1 346 1 1 11 A N3 N 1.360 -2.689 2.343 1.00 . A A . 11 A N3 1 1
1 347 1 1 11 A N6 N -0.250 -4.505 -1.023 1.00 . A A . 11 A N6 1 1
1 348 1 1 11 A N7 N 2.755 -3.890 -0.724 1.00 . A A . 11 A N7 1 1
1 349 1 1 11 A N9 N 3.473 -2.907 1.153 1.00 . A A . 11 A N9 1 1
1 350 1 1 11 A O2' O 5.239 -3.153 4.298 1.00 . A A . 11 A O2' 1 1
1 351 1 1 11 A O3' O 7.401 -3.857 3.254 1.00 . A A . 11 A O3' 1 1
1 352 1 1 11 A O4' O 5.409 -1.589 1.505 1.00 . A A . 11 A O4' 1 1
1 353 1 1 11 A O5' O 7.080 -2.647 -0.537 1.00 . A A . 11 A O5' 1 1
1 354 1 1 11 A OP1 O 9.423 -3.154 -1.261 1.00 . A A . 11 A OP1 1 1
1 355 1 1 11 A OP2 O 7.423 -4.229 -2.448 1.00 . A A . 11 A OP2 1 1
1 356 1 1 11 A P P 8.034 -3.067 -1.763 1.00 . A A . 11 A P 1 1
1 357 1 1 12 C C1' C 2.109 -5.331 4.995 1.00 . A A . 12 C C1' 1 1
1 358 1 1 12 C C2 C 0.554 -5.735 3.122 1.00 . A A . 12 C C2 1 1
1 359 1 1 12 C C2' C 2.098 -6.437 6.056 1.00 . A A . 12 C C2' 1 1
1 360 1 1 12 C C3' C 3.580 -6.706 6.248 1.00 . A A . 12 C C3' 1 1
1 361 1 1 12 C C4 C 1.263 -6.782 1.144 1.00 . A A . 12 C C4 1 1
1 362 1 1 12 C C4' C 4.176 -5.323 6.112 1.00 . A A . 12 C C4' 1 1
1 363 1 1 12 C C5 C 2.590 -6.918 1.662 1.00 . A A . 12 C C5 1 1
1 364 1 1 12 C C5' C 5.674 -5.282 5.807 1.00 . A A . 12 C C5' 1 1
1 365 1 1 12 C C6 C 2.835 -6.447 2.900 1.00 . A A . 12 C C6 1 1
1 366 1 1 12 C H1' H 1.385 -4.553 5.243 1.00 . A A . 12 C H1' 1 1
1 367 1 1 12 C H2' H 1.582 -7.322 5.691 1.00 . A A . 12 C H2' 1 1
1 368 1 1 12 C H3' H 3.985 -7.426 5.538 1.00 . A A . 12 C H3' 1 1
1 369 1 1 12 C H4' H 3.982 -4.737 7.010 1.00 . A A . 12 C H4' 1 1
1 370 1 1 12 C H41 H 0.011 -7.097 -0.431 1.00 . A A . 12 C H41 1 1
1 371 1 1 12 C H42 H 1.652 -7.664 -0.650 1.00 . A A . 12 C H42 1 1
1 372 1 1 12 C H5 H 3.384 -7.385 1.079 1.00 . A A . 12 C H5 1 1
1 373 1 1 12 C H5' H 6.061 -4.295 6.062 1.00 . A A . 12 C H5' 1 1
1 374 1 1 12 C H5'' H 6.179 -6.030 6.420 1.00 . A A . 12 C H5'' 1 1
1 375 1 1 12 C H6 H 3.833 -6.547 3.326 1.00 . A A . 12 C H6 1 1
1 376 1 1 12 C HO2' H 2.196 -6.013 7.950 1.00 . A A . 12 C HO2' 1 1
1 377 1 1 12 C N1 N 1.843 -5.860 3.632 1.00 . A A . 12 C N1 1 1
1 378 1 1 12 C N3 N 0.296 -6.208 1.871 1.00 . A A . 12 C N3 1 1
1 379 1 1 12 C N4 N 0.950 -7.216 -0.077 1.00 . A A . 12 C N4 1 1
1 380 1 1 12 C O2 O -0.328 -5.207 3.796 1.00 . A A . 12 C O2 1 1
1 381 1 1 12 C O2' O 1.517 -5.964 7.273 1.00 . A A . 12 C O2' 1 1
1 382 1 1 12 C O3' O 3.765 -7.119 7.604 1.00 . A A . 12 C O3' 1 1
1 383 1 1 12 C O4' O 3.435 -4.764 5.027 1.00 . A A . 12 C O4' 1 1
1 384 1 1 12 C O5' O 5.956 -5.546 4.431 1.00 . A A . 12 C O5' 1 1
1 385 1 1 12 C OP1 O 8.386 -5.346 5.010 1.00 . A A . 12 C OP1 1 1
1 386 1 1 12 C OP2 O 7.654 -6.297 2.745 1.00 . A A . 12 C OP2 1 1
1 387 1 1 12 C P P 7.452 -5.347 3.862 1.00 . A A . 12 C P 1 1
1 388 1 1 13 C C1' C -1.207 -9.090 5.827 1.00 . A A . 13 C C1' 1 1
1 389 1 1 13 C C2 C -1.371 -9.128 3.363 1.00 . A A . 13 C C2 1 1
1 390 1 1 13 C C2' C -1.460 -10.440 6.506 1.00 . A A . 13 C C2' 1 1
1 391 1 1 13 C C3' C -0.345 -10.524 7.547 1.00 . A A . 13 C C3' 1 1
1 392 1 1 13 C C4 C 0.516 -9.522 2.023 1.00 . A A . 13 C C4 1 1
1 393 1 1 13 C C4' C -0.156 -9.065 7.919 1.00 . A A . 13 C C4' 1 1
1 394 1 1 13 C C5 C 1.345 -9.643 3.183 1.00 . A A . 13 C C5 1 1
1 395 1 1 13 C C5' C 1.204 -8.728 8.524 1.00 . A A . 13 C C5' 1 1
1 396 1 1 13 C C6 C 0.764 -9.500 4.389 1.00 . A A . 13 C C6 1 1
1 397 1 1 13 C H1' H -2.135 -8.519 5.738 1.00 . A A . 13 C H1' 1 1
1 398 1 1 13 C H2' H -1.379 -11.255 5.787 1.00 . A A . 13 C H2' 1 1
1 399 1 1 13 C H3' H 0.565 -10.940 7.114 1.00 . A A . 13 C H3' 1 1
1 400 1 1 13 C H4' H -0.939 -8.738 8.603 1.00 . A A . 13 C H4' 1 1
1 401 1 1 13 C H41 H 0.432 -9.515 -0.011 1.00 . A A . 13 C H41 1 1
1 402 1 1 13 C H42 H 1.995 -9.899 0.675 1.00 . A A . 13 C H42 1 1
1 403 1 1 13 C H5 H 2.413 -9.845 3.101 1.00 . A A . 13 C H5 1 1
1 404 1 1 13 C H5' H 1.268 -7.651 8.674 1.00 . A A . 13 C H5' 1 1
1 405 1 1 13 C H5'' H 1.298 -9.229 9.487 1.00 . A A . 13 C H5'' 1 1
1 406 1 1 13 C H6 H 1.365 -9.597 5.292 1.00 . A A . 13 C H6 1 1
1 407 1 1 13 C HO2' H -2.894 -9.555 7.477 1.00 . A A . 13 C HO2' 1 1
1 408 1 1 13 C HO3' H -1.539 -10.835 9.050 1.00 . A A . 13 C HO3' 1 1
1 409 1 1 13 C N1 N -0.571 -9.245 4.495 1.00 . A A . 13 C N1 1 1
1 410 1 1 13 C N3 N -0.795 -9.272 2.137 1.00 . A A . 13 C N3 1 1
1 411 1 1 13 C N4 N 1.022 -9.655 0.797 1.00 . A A . 13 C N4 1 1
1 412 1 1 13 C O2 O -2.573 -8.902 3.479 1.00 . A A . 13 C O2 1 1
1 413 1 1 13 C O2' O -2.739 -10.443 7.145 1.00 . A A . 13 C O2' 1 1
1 414 1 1 13 C O3' O -0.773 -11.281 8.682 1.00 . A A . 13 C O3' 1 1
1 415 1 1 13 C O4' O -0.303 -8.378 6.681 1.00 . A A . 13 C O4' 1 1
1 416 1 1 13 C O5' O 2.277 -9.145 7.675 1.00 . A A . 13 C O5' 1 1
1 417 1 1 13 C OP1 O 4.020 -8.800 9.442 1.00 . A A . 13 C OP1 1 1
1 418 1 1 13 C OP2 O 4.690 -9.376 7.037 1.00 . A A . 13 C OP2 1 1
1 419 1 1 13 C P P 3.789 -8.683 7.985 1.00 . A A . 13 C P 1 1
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