NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
374916 |
1esh   |
cing | 4-filtered-FRED | STAR | entry | full | 295 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1esh
# This FRED archive file contains, for PDB entry <1esh>:
#
# - 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_1esh
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1esh
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 4127.44
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 $RNA__5__R__GP_GP_UP_GP_CP_AP_UP_AP_GP_CP_AP_CP_C__3__ A . 1 1
stop_
save_
save_RNA__5__R__GP_GP_UP_GP_CP_AP_UP_AP_GP_CP_AP_CP_C__3__
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "RNA 5 R GP GP UP GP CP AP UP AP GP CP AP CP C 3 "
_Entity.Type polymer
_Entity.Polymer_type polyribonucleotide
_Entity.Polymer_seq_one_letter_code GGUGCAUAGCACC
_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 A . 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
A 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_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 1 . . . 1 1
96 1 . . . 1 1
97 1 . . . 1 1
98 1 . . . 1 1
99 1 . . . 1 1
100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
106 1 . . . 1 1
107 1 . . . 1 1
108 1 . . . 1 1
109 1 . . . 1 1
110 1 . . . 1 1
111 1 . . . 1 1
112 1 . . . 1 1
113 1 . . . 1 1
114 1 . . . 1 1
115 1 . . . 1 1
116 1 . . . 1 1
117 1 . . . 1 1
118 1 . . . 1 1
119 1 . . . 1 1
120 1 . . . 1 1
121 1 . . . 1 1
122 1 . . . 1 1
123 1 . . . 1 1
124 1 . . . 1 1
125 1 . . . 1 1
126 1 . . . 1 1
127 1 . . . 1 1
128 1 . . . 1 1
129 1 . . . 1 1
130 1 . . . 1 1
131 1 . . . 1 1
132 1 . . . 1 1
133 1 . . . 1 1
134 1 . . . 1 1
135 1 . . . 1 1
136 1 . . . 1 1
137 1 . . . 1 1
138 1 . . . 1 1
139 1 . . . 1 1
140 1 . . . 1 1
141 1 . . . 1 1
142 1 . . . 1 1
143 1 . . . 1 1
144 1 . . . 1 1
145 1 . . . 1 1
146 1 . . . 1 1
147 1 . . . 1 1
148 1 . . . 1 1
149 1 . . . 1 1
150 1 . . . 1 1
151 1 . . . 1 1
152 1 . . . 1 1
153 1 . . . 1 1
154 1 . . . 1 1
155 1 . . . 1 1
156 1 . . . 1 1
157 1 . . . 1 1
158 1 . . . 1 1
159 1 . . . 1 1
160 1 . . . 1 1
161 1 . . . 1 1
162 1 . . . 1 1
163 1 . . . 1 1
164 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 2 G H1 . 2 . H1 1 1
1 1 2 1 1 3 U H3 . 3 . H3 1 1
2 1 1 1 1 3 U H3 . 3 . H3 1 1
2 1 2 1 1 4 G H1 . 4 . H1 1 1
3 1 1 1 1 4 G H1 . 4 . H1 1 1
3 1 2 1 1 9 G H1 . 9 . H1 1 1
4 1 1 1 1 2 G H1 . 2 . H1 1 1
4 1 2 1 1 12 C H41 . 12 . H41 1 1
5 1 1 1 1 2 G H1 . 2 . H1 1 1
5 1 2 1 1 12 C H42 . 12 . H42 1 1
6 1 1 1 1 3 U H3 . 3 . H3 1 1
6 1 2 1 1 11 A H2 . 11 . H2 1 1
7 1 1 1 1 4 G H1 . 4 . H1 1 1
7 1 2 1 1 10 C H41 . 10 . H41 1 1
8 1 1 1 1 4 G H1 . 4 . H1 1 1
8 1 2 1 1 10 C H42 . 10 . H42 1 1
9 1 1 1 1 5 C H41 . 5 . H41 1 1
9 1 2 1 1 9 G H1 . 9 . H1 1 1
10 1 1 1 1 5 C H42 . 5 . H42 1 1
10 1 2 1 1 9 G H1 . 9 . H1 1 1
11 1 1 1 1 6 A H1' . 6 . H1' 1 1
11 1 2 1 1 9 G H1 . 9 . H1 1 1
12 1 1 1 1 8 A H2 . 8 . H2 1 1
12 1 2 1 1 9 G H1 . 9 . H1 1 1
13 1 1 1 1 1 G H1' . 1 . H1' 1 1
13 1 2 1 1 1 G H2' . 1 . H2'' 1 1
14 1 1 1 1 1 G H1' . 1 . H1' 1 1
14 1 2 1 1 1 G H8 . 1 . H8 1 1
15 1 1 1 1 1 G H2' . 1 . H2'' 1 1
15 1 2 1 1 1 G H8 . 1 . H8 1 1
16 1 1 1 1 1 G H3' . 1 . H3' 1 1
16 1 2 1 1 1 G H8 . 1 . H8 1 1
17 1 1 1 1 1 G H8 . 1 . H8 1 1
17 1 2 1 1 2 G H8 . 2 . H8 1 1
18 1 1 1 1 1 G H4' . 1 . H4' 1 1
18 1 2 1 1 1 G H8 . 1 . H8 1 1
19 1 1 1 1 2 G H1' . 2 . H1' 1 1
19 1 2 1 1 2 G H2' . 2 . H2'' 1 1
20 1 1 1 1 2 G H1' . 2 . H1' 1 1
20 1 2 1 1 3 U H5 . 3 . H5 1 1
21 1 1 1 1 1 G H1' . 1 . H1' 1 1
21 1 2 1 1 2 G H8 . 2 . H8 1 1
22 1 1 1 1 2 G H1' . 2 . H1' 1 1
22 1 2 1 1 2 G H8 . 2 . H8 1 1
23 1 1 1 1 1 G H2' . 1 . H2'' 1 1
23 1 2 1 1 2 G H8 . 2 . H8 1 1
24 1 1 1 1 1 G H3' . 1 . H3' 1 1
24 1 2 1 1 2 G H8 . 2 . H8 1 1
25 1 1 1 1 2 G H3' . 2 . H3' 1 1
25 1 2 1 1 2 G H8 . 2 . H8 1 1
26 1 1 1 1 2 G H8 . 2 . H8 1 1
26 1 2 1 1 3 U H6 . 3 . H6 1 1
27 1 1 1 1 2 G H8 . 2 . H8 1 1
27 1 2 1 1 3 U H5 . 3 . H5 1 1
28 1 1 1 1 2 G H4' . 2 . H4' 1 1
28 1 2 1 1 2 G H8 . 2 . H8 1 1
29 1 1 1 1 3 U H1' . 3 . H1' 1 1
29 1 2 1 1 3 U H2' . 3 . H2'' 1 1
30 1 1 1 1 2 G H1' . 2 . H1' 1 1
30 1 2 1 1 3 U H6 . 3 . H6 1 1
31 1 1 1 1 3 U H1' . 3 . H1' 1 1
31 1 2 1 1 3 U H6 . 3 . H6 1 1
32 1 1 1 1 2 G H2' . 2 . H2'' 1 1
32 1 2 1 1 3 U H6 . 3 . H6 1 1
33 1 1 1 1 3 U H2' . 3 . H2'' 1 1
33 1 2 1 1 3 U H6 . 3 . H6 1 1
34 1 1 1 1 3 U H5 . 3 . H5 1 1
34 1 2 1 1 3 U H6 . 3 . H6 1 1
35 1 1 1 1 3 U H6 . 3 . H6 1 1
35 1 2 1 1 4 G H8 . 4 . H8 1 1
36 1 1 1 1 3 U H3' . 3 . H3' 1 1
36 1 2 1 1 3 U H6 . 3 . H6 1 1
37 1 1 1 1 4 G H1' . 4 . H1' 1 1
37 1 2 1 1 4 G H2' . 4 . H2'' 1 1
38 1 1 1 1 4 G H1' . 4 . H1' 1 1
38 1 2 1 1 4 G H8 . 4 . H8 1 1
39 1 1 1 1 3 U H1' . 3 . H1' 1 1
39 1 2 1 1 4 G H8 . 4 . H8 1 1
40 1 1 1 1 3 U H2' . 3 . H2'' 1 1
40 1 2 1 1 4 G H8 . 4 . H8 1 1
41 1 1 1 1 3 U H3' . 3 . H3' 1 1
41 1 2 1 1 4 G H8 . 4 . H8 1 1
42 1 1 1 1 4 G H2' . 4 . H2'' 1 1
42 1 2 1 1 4 G H8 . 4 . H8 1 1
43 1 1 1 1 4 G H3' . 4 . H3' 1 1
43 1 2 1 1 4 G H8 . 4 . H8 1 1
44 1 1 1 1 4 G H8 . 4 . H8 1 1
44 1 2 1 1 5 C H6 . 5 . H6 1 1
45 1 1 1 1 5 C H1' . 5 . H1' 1 1
45 1 2 1 1 5 C H2' . 5 . H2'' 1 1
46 1 1 1 1 4 G H2' . 4 . H2'' 1 1
46 1 2 1 1 5 C H1' . 5 . H1' 1 1
47 1 1 1 1 5 C H1' . 5 . H1' 1 1
47 1 2 1 1 5 C H5 . 5 . H5 1 1
48 1 1 1 1 4 G H2' . 4 . H2'' 1 1
48 1 2 1 1 5 C H5 . 5 . H5 1 1
49 1 1 1 1 4 G H3' . 4 . H3' 1 1
49 1 2 1 1 5 C H5 . 5 . H5 1 1
50 1 1 1 1 5 C H5 . 5 . H5 1 1
50 1 2 1 1 5 C H6 . 5 . H6 1 1
51 1 1 1 1 4 G H2' . 4 . H2'' 1 1
51 1 2 1 1 5 C H6 . 5 . H6 1 1
52 1 1 1 1 5 C H2' . 5 . H2'' 1 1
52 1 2 1 1 5 C H6 . 5 . H6 1 1
53 1 1 1 1 4 G H1' . 4 . H1' 1 1
53 1 2 1 1 5 C H6 . 5 . H6 1 1
54 1 1 1 1 4 G H3' . 4 . H3' 1 1
54 1 2 1 1 5 C H6 . 5 . H6 1 1
55 1 1 1 1 5 C H3' . 5 . H3' 1 1
55 1 2 1 1 5 C H6 . 5 . H6 1 1
56 1 1 1 1 5 C H1' . 5 . H1' 1 1
56 1 2 1 1 5 C H6 . 5 . H6 1 1
57 1 1 1 1 5 C H6 . 5 . H6 1 1
57 1 2 1 1 6 A H8 . 6 . H8 1 1
58 1 1 1 1 5 C H4' . 5 . H4' 1 1
58 1 2 1 1 5 C H6 . 5 . H6 1 1
59 1 1 1 1 5 C H5' . 5 . H5' 1 1
59 1 2 1 1 5 C H6 . 5 . H6 1 1
60 1 1 1 1 5 C H5' . 5 . H5' 1 1
60 1 2 1 1 6 A H1' . 6 . H1' 1 1
61 1 1 1 1 6 A H1' . 6 . H1' 1 1
61 1 2 1 1 6 A H2' . 6 . H2'' 1 1
62 1 1 1 1 6 A H1' . 6 . H1' 1 1
62 1 2 1 1 6 A H5' . 6 . H5' 1 1
63 1 1 1 1 6 A H1' . 6 . H1' 1 1
63 1 2 1 1 7 U H4' . 7 . H4' 1 1
64 1 1 1 1 6 A H1' . 6 . H1' 1 1
64 1 2 1 1 7 U H2' . 7 . H2'' 1 1
65 1 1 1 1 5 C H2' . 5 . H2'' 1 1
65 1 2 1 1 6 A H8 . 6 . H8 1 1
66 1 1 1 1 6 A H2' . 6 . H2'' 1 1
66 1 2 1 1 6 A H8 . 6 . H8 1 1
67 1 1 1 1 6 A H1' . 6 . H1' 1 1
67 1 2 1 1 6 A H8 . 6 . H8 1 1
68 1 1 1 1 5 C H1' . 5 . H1' 1 1
68 1 2 1 1 6 A H8 . 6 . H8 1 1
69 1 1 1 1 5 C H4' . 5 . H4' 1 1
69 1 2 1 1 6 A H8 . 6 . H8 1 1
70 1 1 1 1 5 C H3' . 5 . H3' 1 1
70 1 2 1 1 6 A H8 . 6 . H8 1 1
71 1 1 1 1 6 A H3' . 6 . H3' 1 1
71 1 2 1 1 6 A H8 . 6 . H8 1 1
72 1 1 1 1 6 A H4' . 6 . H4' 1 1
72 1 2 1 1 6 A H8 . 6 . H8 1 1
73 1 1 1 1 6 A H5' . 6 . H5' 1 1
73 1 2 1 1 6 A H8 . 6 . H8 1 1
74 1 1 1 1 5 C H5' . 5 . H5' 1 1
74 1 2 1 1 6 A H8 . 6 . H8 1 1
75 1 1 1 1 6 A H1' . 6 . H1' 1 1
75 1 2 1 1 6 A H2 . 6 . H2 1 1
76 1 1 1 1 6 A H2 . 6 . H2 1 1
76 1 2 1 1 6 A H2' . 6 . H2'' 1 1
77 1 1 1 1 7 U H1' . 7 . H1' 1 1
77 1 2 1 1 7 U H2' . 7 . H2'' 1 1
78 1 1 1 1 7 U H1' . 7 . H1' 1 1
78 1 2 1 1 7 U H3' . 7 . H3' 1 1
79 1 1 1 1 7 U H1' . 7 . H1' 1 1
79 1 2 1 1 7 U H4' . 7 . H4' 1 1
80 1 1 1 1 7 U H5 . 7 . H5 1 1
80 1 2 1 1 7 U H6 . 7 . H6 1 1
81 1 1 1 1 7 U H2' . 7 . H2'' 1 1
81 1 2 1 1 7 U H6 . 7 . H6 1 1
82 1 1 1 1 7 U H1' . 7 . H1' 1 1
82 1 2 1 1 7 U H6 . 7 . H6 1 1
83 1 1 1 1 6 A H1' . 6 . H1' 1 1
83 1 2 1 1 7 U H6 . 7 . H6 1 1
84 1 1 1 1 6 A H1' . 6 . H1' 1 1
84 1 2 1 1 7 U H5 . 7 . H5 1 1
85 1 1 1 1 6 A H4' . 6 . H4' 1 1
85 1 2 1 1 7 U H5 . 7 . H5 1 1
86 1 1 1 1 7 U H2' . 7 . H2'' 1 1
86 1 2 1 1 7 U H5 . 7 . H5 1 1
87 1 1 1 1 7 U H3' . 7 . H3' 1 1
87 1 2 1 1 7 U H6 . 7 . H6 1 1
88 1 1 1 1 6 A H2' . 6 . H2'' 1 1
88 1 2 1 1 7 U H6 . 7 . H6 1 1
89 1 1 1 1 6 A H3' . 6 . H3' 1 1
89 1 2 1 1 7 U H6 . 7 . H6 1 1
90 1 1 1 1 6 A H4' . 6 . H4' 1 1
90 1 2 1 1 7 U H6 . 7 . H6 1 1
91 1 1 1 1 7 U H4' . 7 . H4' 1 1
91 1 2 1 1 7 U H6 . 7 . H6 1 1
92 1 1 1 1 7 U H5' . 7 . H5' 1 1
92 1 2 1 1 7 U H6 . 7 . H6 1 1
93 1 1 1 1 8 A H1' . 8 . H1' 1 1
93 1 2 1 1 8 A H2' . 8 . H2'' 1 1
94 1 1 1 1 7 U H4' . 7 . H4' 1 1
94 1 2 1 1 8 A H1' . 8 . H1' 1 1
95 1 1 1 1 7 U H1' . 7 . H1' 1 1
95 1 2 1 1 8 A H8 . 8 . H8 1 1
96 1 1 1 1 7 U H2' . 7 . H2'' 1 1
96 1 2 1 1 8 A H8 . 8 . H8 1 1
97 1 1 1 1 8 A H1' . 8 . H1' 1 1
97 1 2 1 1 8 A H8 . 8 . H8 1 1
98 1 1 1 1 8 A H2' . 8 . H2'' 1 1
98 1 2 1 1 8 A H8 . 8 . H8 1 1
99 1 1 1 1 8 A H3' . 8 . H3' 1 1
99 1 2 1 1 8 A H8 . 8 . H8 1 1
100 1 1 1 1 7 U H4' . 7 . H4' 1 1
100 1 2 1 1 8 A H8 . 8 . H8 1 1
101 1 1 1 1 8 A H8 . 8 . H8 1 1
101 1 2 1 1 9 G H1' . 9 . H1' 1 1
102 1 1 1 1 8 A H4' . 8 . H4' 1 1
102 1 2 1 1 8 A H8 . 8 . H8 1 1
103 1 1 1 1 8 A H5' . 8 . H5' 1 1
103 1 2 1 1 8 A H8 . 8 . H8 1 1
104 1 1 1 1 6 A H1' . 6 . H1' 1 1
104 1 2 1 1 8 A H2 . 8 . H2 1 1
105 1 1 1 1 8 A H1' . 8 . H1' 1 1
105 1 2 1 1 8 A H2 . 8 . H2 1 1
106 1 1 1 1 8 A H2 . 8 . H2 1 1
106 1 2 1 1 8 A H3' . 8 . H3' 1 1
107 1 1 1 1 5 C H2' . 5 . H2'' 1 1
107 1 2 1 1 8 A H2 . 8 . H2 1 1
108 1 1 1 1 5 C H1' . 5 . H1' 1 1
108 1 2 1 1 8 A H2 . 8 . H2 1 1
109 1 1 1 1 7 U H1' . 7 . H1' 1 1
109 1 2 1 1 8 A H2 . 8 . H2 1 1
110 1 1 1 1 7 U H4' . 7 . H4' 1 1
110 1 2 1 1 8 A H2 . 8 . H2 1 1
111 1 1 1 1 7 U H5' . 7 . H5' 1 1
111 1 2 1 1 8 A H2 . 8 . H2 1 1
112 1 1 1 1 6 A H2' . 6 . H2'' 1 1
112 1 2 1 1 8 A H2 . 8 . H2 1 1
113 1 1 1 1 9 G H1' . 9 . H1' 1 1
113 1 2 1 1 9 G H2' . 9 . H2'' 1 1
114 1 1 1 1 8 A H2' . 8 . H2'' 1 1
114 1 2 1 1 9 G H1' . 9 . H1' 1 1
115 1 1 1 1 9 G H1' . 9 . H1' 1 1
115 1 2 1 1 9 G H8 . 9 . H8 1 1
116 1 1 1 1 9 G H2' . 9 . H2'' 1 1
116 1 2 1 1 9 G H8 . 9 . H8 1 1
117 1 1 1 1 9 G H3' . 9 . H3' 1 1
117 1 2 1 1 9 G H8 . 9 . H8 1 1
118 1 1 1 1 9 G H4' . 9 . H4' 1 1
118 1 2 1 1 9 G H8 . 9 . H8 1 1
119 1 1 1 1 9 G H8 . 9 . H8 1 1
119 1 2 1 1 10 C H5 . 10 . H5 1 1
120 1 1 1 1 9 G H8 . 9 . H8 1 1
120 1 2 1 1 10 C H6 . 10 . H6 1 1
121 1 1 1 1 8 A H5' . 8 . H5' 1 1
121 1 2 1 1 9 G H8 . 9 . H8 1 1
122 1 1 1 1 8 A H5'' . 8 . H5'' 1 1
122 1 2 1 1 9 G H8 . 9 . H8 1 1
123 1 1 1 1 9 G H5' . 9 . H5' 1 1
123 1 2 1 1 9 G H8 . 9 . H8 1 1
124 1 1 1 1 10 C H1' . 10 . H1' 1 1
124 1 2 1 1 10 C H2' . 10 . H2'' 1 1
125 1 1 1 1 10 C H1' . 10 . H1' 1 1
125 1 2 1 1 10 C H5 . 10 . H5 1 1
126 1 1 1 1 9 G H2' . 9 . H2'' 1 1
126 1 2 1 1 10 C H5 . 10 . H5 1 1
127 1 1 1 1 10 C H5 . 10 . H5 1 1
127 1 2 1 1 11 A H2' . 11 . H2'' 1 1
128 1 1 1 1 10 C H5 . 10 . H5 1 1
128 1 2 1 1 10 C H6 . 10 . H6 1 1
129 1 1 1 1 9 G H1' . 9 . H1' 1 1
129 1 2 1 1 10 C H6 . 10 . H6 1 1
130 1 1 1 1 9 G H2' . 9 . H2'' 1 1
130 1 2 1 1 10 C H6 . 10 . H6 1 1
131 1 1 1 1 9 G H4' . 9 . H4' 1 1
131 1 2 1 1 10 C H6 . 10 . H6 1 1
132 1 1 1 1 10 C H1' . 10 . H1' 1 1
132 1 2 1 1 10 C H6 . 10 . H6 1 1
133 1 1 1 1 10 C H2' . 10 . H2'' 1 1
133 1 2 1 1 10 C H6 . 10 . H6 1 1
134 1 1 1 1 11 A H1' . 11 . H1' 1 1
134 1 2 1 1 11 A H2' . 11 . H2'' 1 1
135 1 1 1 1 11 A H1' . 11 . H1' 1 1
135 1 2 1 1 12 C H5 . 12 . H5 1 1
136 1 1 1 1 11 A H1' . 11 . H1' 1 1
136 1 2 1 1 11 A H8 . 11 . H8 1 1
137 1 1 1 1 11 A H2' . 11 . H2'' 1 1
137 1 2 1 1 11 A H8 . 11 . H8 1 1
138 1 1 1 1 11 A H3' . 11 . H3' 1 1
138 1 2 1 1 11 A H8 . 11 . H8 1 1
139 1 1 1 1 11 A H4' . 11 . H4' 1 1
139 1 2 1 1 11 A H8 . 11 . H8 1 1
140 1 1 1 1 10 C H1' . 10 . H1' 1 1
140 1 2 1 1 11 A H8 . 11 . H8 1 1
141 1 1 1 1 10 C H2' . 10 . H2'' 1 1
141 1 2 1 1 11 A H8 . 11 . H8 1 1
142 1 1 1 1 10 C H6 . 10 . H6 1 1
142 1 2 1 1 11 A H8 . 11 . H8 1 1
143 1 1 1 1 4 G H1' . 4 . H1' 1 1
143 1 2 1 1 11 A H2 . 11 . H2 1 1
144 1 1 1 1 11 A H2 . 11 . H2 1 1
144 1 2 1 1 12 C H1' . 12 . H1' 1 1
145 1 1 1 1 11 A H1' . 11 . H1' 1 1
145 1 2 1 1 11 A H2 . 11 . H2 1 1
146 1 1 1 1 12 C H1' . 12 . H1' 1 1
146 1 2 1 1 12 C H2' . 12 . H2'' 1 1
147 1 1 1 1 12 C H5 . 12 . H5 1 1
147 1 2 1 1 12 C H6 . 12 . H6 1 1
148 1 1 1 1 11 A H8 . 11 . H8 1 1
148 1 2 1 1 12 C H6 . 12 . H6 1 1
149 1 1 1 1 11 A H1' . 11 . H1' 1 1
149 1 2 1 1 12 C H6 . 12 . H6 1 1
150 1 1 1 1 11 A H2' . 11 . H2'' 1 1
150 1 2 1 1 12 C H6 . 12 . H6 1 1
151 1 1 1 1 12 C H1' . 12 . H1' 1 1
151 1 2 1 1 12 C H6 . 12 . H6 1 1
152 1 1 1 1 12 C H2' . 12 . H2' 1 1
152 1 2 1 1 12 C H6 . 12 . H6 1 1
153 1 1 1 1 12 C H3' . 12 . H3' 1 1
153 1 2 1 1 12 C H6 . 12 . H6 1 1
154 1 1 1 1 12 C H4' . 12 . H4' 1 1
154 1 2 1 1 12 C H6 . 12 . H6 1 1
155 1 1 1 1 13 C H5 . 13 . H5 1 1
155 1 2 1 1 13 C H6 . 13 . H6 1 1
156 1 1 1 1 12 C H6 . 12 . H6 1 1
156 1 2 1 1 13 C H6 . 13 . H6 1 1
157 1 1 1 1 13 C H1' . 13 . H1' 1 1
157 1 2 1 1 13 C H2' . 13 . H2'' 1 1
158 1 1 1 1 12 C H2' . 12 . H2'' 1 1
158 1 2 1 1 13 C H6 . 13 . H6 1 1
159 1 1 1 1 12 C H1' . 12 . H1' 1 1
159 1 2 1 1 13 C H6 . 13 . H6 1 1
160 1 1 1 1 13 C H1' . 13 . H1' 1 1
160 1 2 1 1 13 C H6 . 13 . H6 1 1
161 1 1 1 1 13 C H2' . 13 . H2'' 1 1
161 1 2 1 1 13 C H6 . 13 . H6 1 1
162 1 1 1 1 13 C H3' . 13 . H3' 1 1
162 1 2 1 1 13 C H6 . 13 . H6 1 1
163 1 1 1 1 12 C H3' . 12 . H3' 1 1
163 1 2 1 1 13 C H6 . 13 . H6 1 1
164 1 1 1 1 13 C H4' . 13 . H4' 1 1
164 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 . . . . . 1.8 1.8 5.0 1 1
2 1 . . . . . 1.8 1.8 5.0 1 1
3 1 . . . . . 1.8 1.8 5.0 1 1
4 1 . . . . . 1.8 1.8 5.0 1 1
5 1 . . . . . 1.8 1.8 5.0 1 1
6 1 . . . . . . 2.8 3.0 1 1
7 1 . . . . . 1.8 1.8 5.0 1 1
8 1 . . . . . 1.8 1.8 5.0 1 1
9 1 . . . . . 1.8 1.8 5.0 1 1
10 1 . . . . . 1.8 1.8 5.0 1 1
11 1 . . . . . 1.8 1.8 5.0 1 1
12 1 . . . . . 1.8 1.8 5.0 1 1
13 1 . . . . . 1.8 1.8 3.2 1 1
14 1 . . . . . 2.5 2.5 5.0 1 1
15 1 . . . . . 2.0 2.0 4.0 1 1
16 1 . . . . . 2.5 2.5 5.0 1 1
17 1 . . . . . 3.0 3.0 7.0 1 1
18 1 . . . . . 2.5 2.5 5.0 1 1
19 1 . . . . . 1.8 1.8 3.2 1 1
20 1 . . . . . 3.0 3.0 7.0 1 1
21 1 . . . . . 2.5 2.5 5.0 1 1
22 1 . . . . . 2.5 2.5 5.0 1 1
23 1 . . . . . 1.8 1.8 3.2 1 1
24 1 . . . . . 3.0 3.0 7.0 1 1
25 1 . . . . . 2.0 2.0 4.0 1 1
26 1 . . . . . 3.0 3.0 7.0 1 1
27 1 . . . . . 3.0 3.0 7.0 1 1
28 1 . . . . . 3.0 3.0 7.0 1 1
29 1 . . . . . 1.8 1.8 3.2 1 1
30 1 . . . . . 2.5 2.5 5.0 1 1
31 1 . . . . . 2.5 2.5 5.0 1 1
32 1 . . . . . 1.8 1.8 3.2 1 1
33 1 . . . . . 2.0 2.0 4.0 1 1
34 1 . . . . . 1.8 1.8 3.2 1 1
35 1 . . . . . 3.0 3.0 7.0 1 1
36 1 . . . . . 2.0 2.0 4.0 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 . . . . . 1.8 1.8 3.2 1 1
41 1 . . . . . 2.5 2.5 5.0 1 1
42 1 . . . . . 2.5 2.5 5.0 1 1
43 1 . . . . . 2.0 2.0 4.0 1 1
44 1 . . . . . 3.0 3.0 7.0 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 . . . . . 2.5 2.5 5.0 1 1
49 1 . . . . . 2.5 2.5 5.0 1 1
50 1 . . . . . 1.8 1.8 3.2 1 1
51 1 . . . . . 1.8 1.8 3.2 1 1
52 1 . . . . . 2.0 2.0 4.0 1 1
53 1 . . . . . 2.5 2.5 5.0 1 1
54 1 . . . . . 2.5 2.5 5.0 1 1
55 1 . . . . . 2.0 2.0 4.0 1 1
56 1 . . . . . 2.5 2.5 5.0 1 1
57 1 . . . . . 3.0 3.0 7.0 1 1
58 1 . . . . . 3.0 3.0 7.0 1 1
59 1 . . . . . 3.0 3.0 7.0 1 1
60 1 . . . . . 3.0 3.0 7.0 1 1
61 1 . . . . . 1.8 1.8 3.2 1 1
62 1 . . . . . 3.0 3.0 7.0 1 1
63 1 . . . . . 3.0 3.0 7.0 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 . . . . . 2.5 2.5 5.0 1 1
68 1 . . . . . 2.5 2.5 5.0 1 1
69 1 . . . . . 3.0 3.0 7.0 1 1
70 1 . . . . . 2.0 2.0 4.0 1 1
71 1 . . . . . 2.5 2.5 5.0 1 1
72 1 . . . . . 2.5 2.5 5.0 1 1
73 1 . . . . . 3.0 3.0 7.0 1 1
74 1 . . . . . 3.0 3.0 7.0 1 1
75 1 . . . . . 3.0 3.0 7.0 1 1
76 1 . . . . . 3.0 3.0 7.0 1 1
77 1 . . . . . 1.8 1.8 3.2 1 1
78 1 . . . . . 2.5 2.5 5.0 1 1
79 1 . . . . . 2.5 2.5 5.0 1 1
80 1 . . . . . 1.8 1.8 3.2 1 1
81 1 . . . . . 1.8 1.8 3.2 1 1
82 1 . . . . . 2.5 2.5 5.0 1 1
83 1 . . . . . 2.5 2.5 5.0 1 1
84 1 . . . . . 2.5 2.5 5.0 1 1
85 1 . . . . . 2.5 2.5 5.0 1 1
86 1 . . . . . 2.5 2.5 5.0 1 1
87 1 . . . . . 2.0 2.0 4.0 1 1
88 1 . . . . . 3.0 3.0 7.0 1 1
89 1 . . . . . 3.0 3.0 7.0 1 1
90 1 . . . . . 3.0 3.0 7.0 1 1
91 1 . . . . . 2.5 2.5 5.0 1 1
92 1 . . . . . 3.0 3.0 7.0 1 1
93 1 . . . . . 1.8 1.8 3.2 1 1
94 1 . . . . . 3.0 3.0 7.0 1 1
95 1 . . . . . 3.0 3.0 7.0 1 1
96 1 . . . . . 3.0 3.0 7.0 1 1
97 1 . . . . . 2.0 2.0 4.0 1 1
98 1 . . . . . 2.0 2.0 4.0 1 1
99 1 . . . . . 2.5 2.5 5.0 1 1
100 1 . . . . . 2.5 2.5 5.0 1 1
101 1 . . . . . 3.0 3.0 7.0 1 1
102 1 . . . . . 3.0 3.0 7.0 1 1
103 1 . . . . . 3.0 3.0 7.0 1 1
104 1 . . . . . 3.0 3.0 7.0 1 1
105 1 . . . . . 2.5 2.5 5.0 1 1
106 1 . . . . . 3.0 3.0 7.0 1 1
107 1 . . . . . 2.5 2.5 5.0 1 1
108 1 . . . . . 2.5 2.5 5.0 1 1
109 1 . . . . . 2.5 2.5 5.0 1 1
110 1 . . . . . 2.5 2.5 5.0 1 1
111 1 . . . . . 2.5 2.5 5.0 1 1
112 1 . . . . . 3.0 3.0 7.0 1 1
113 1 . . . . . 1.8 1.8 3.2 1 1
114 1 . . . . . 3.0 3.0 7.0 1 1
115 1 . . . . . 2.5 2.5 5.0 1 1
116 1 . . . . . 1.8 1.8 3.2 1 1
117 1 . . . . . 2.5 2.5 5.0 1 1
118 1 . . . . . 3.0 3.0 7.0 1 1
119 1 . . . . . 3.0 3.0 7.0 1 1
120 1 . . . . . 3.0 3.0 7.0 1 1
121 1 . . . . . 3.0 3.0 7.0 1 1
122 1 . . . . . 3.0 3.0 7.0 1 1
123 1 . . . . . 3.0 3.0 7.0 1 1
124 1 . . . . . 1.8 1.8 3.2 1 1
125 1 . . . . . 3.0 3.0 7.0 1 1
126 1 . . . . . 3.0 3.0 7.0 1 1
127 1 . . . . . 3.0 3.0 7.0 1 1
128 1 . . . . . 1.8 1.8 3.2 1 1
129 1 . . . . . 1.8 1.8 3.2 1 1
130 1 . . . . . 3.0 3.0 7.0 1 1
131 1 . . . . . 3.0 3.0 7.0 1 1
132 1 . . . . . 2.5 2.5 5.0 1 1
133 1 . . . . . 2.5 2.5 5.0 1 1
134 1 . . . . . 1.8 1.8 3.2 1 1
135 1 . . . . . 3.0 3.0 7.0 1 1
136 1 . . . . . 2.5 2.5 5.0 1 1
137 1 . . . . . 2.5 2.5 5.0 1 1
138 1 . . . . . 2.5 2.5 5.0 1 1
139 1 . . . . . 3.0 3.0 7.0 1 1
140 1 . . . . . 2.5 2.5 5.0 1 1
141 1 . . . . . 1.8 1.8 3.2 1 1
142 1 . . . . . 3.0 3.0 7.0 1 1
143 1 . . . . . 2.5 2.5 5.0 1 1
144 1 . . . . . 2.5 2.5 5.0 1 1
145 1 . . . . . 3.0 3.0 7.0 1 1
146 1 . . . . . 1.8 1.8 3.2 1 1
147 1 . . . . . 1.8 1.8 3.2 1 1
148 1 . . . . . 3.0 3.0 7.0 1 1
149 1 . . . . . 2.5 2.5 5.0 1 1
150 1 . . . . . 1.8 1.8 3.2 1 1
151 1 . . . . . 2.5 2.5 5.0 1 1
152 1 . . . . . 2.5 2.5 5.0 1 1
153 1 . . . . . 2.0 2.0 4.0 1 1
154 1 . . . . . 3.0 3.0 7.0 1 1
155 1 . . . . . 1.8 1.8 3.2 1 1
156 1 . . . . . 3.0 3.0 7.0 1 1
157 1 . . . . . 1.8 1.8 3.2 1 1
158 1 . . . . . 1.8 1.8 3.2 1 1
159 1 . . . . . 2.5 2.5 5.0 1 1
160 1 . . . . . 2.5 2.5 5.0 1 1
161 1 . . . . . 2.0 2.0 4.0 1 1
162 1 . . . . . 2.0 2.0 4.0 1 1
163 1 . . . . . 2.5 2.5 5.0 1 1
164 1 . . . . . 3.0 3.0 7.0 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
11 1 . . . 1 2
12 1 . . . 1 2
13 1 . . . 1 2
14 1 . . . 1 2
15 1 . . . 1 2
16 1 . . . 1 2
17 1 . . . 1 2
18 1 . . . 1 2
19 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 O6 . 1 . O6 1 2
1 1 2 1 1 13 C H41 . 13 . H41 1 2
2 1 1 1 1 1 G H21 . 1 . H21 1 2
2 1 2 1 1 13 C N3 . 13 . N3 1 2
3 1 1 1 1 1 G H21 . 1 . H21 1 2
3 1 2 1 1 13 C O2 . 13 . O2 1 2
4 1 1 1 1 1 G H1 . 1 . H1 1 2
4 1 2 1 1 13 C N3 . 13 . N3 1 2
5 1 1 1 1 2 G O6 . 2 . O6 1 2
5 1 2 1 1 12 C H41 . 12 . H41 1 2
6 1 1 1 1 2 G H21 . 2 . H21 1 2
6 1 2 1 1 12 C N3 . 12 . N3 1 2
7 1 1 1 1 2 G H21 . 2 . H21 1 2
7 1 2 1 1 12 C O2 . 12 . O2 1 2
8 1 1 1 1 2 G H1 . 2 . H1 1 2
8 1 2 1 1 12 C N3 . 12 . N3 1 2
9 1 1 1 1 3 U O2 . 3 . O2 1 2
9 1 2 1 1 11 A H2 . 11 . H2 1 2
10 1 1 1 1 3 U H3 . 3 . H3 1 2
10 1 2 1 1 11 A N1 . 11 . N1 1 2
11 1 1 1 1 3 U O4 . 3 . O4 1 2
11 1 2 1 1 11 A H61 . 11 . H61 1 2
12 1 1 1 1 4 G O6 . 4 . O6 1 2
12 1 2 1 1 10 C H41 . 10 . H41 1 2
13 1 1 1 1 4 G H21 . 4 . H21 1 2
13 1 2 1 1 10 C N3 . 10 . N3 1 2
14 1 1 1 1 4 G H21 . 4 . H21 1 2
14 1 2 1 1 10 C O2 . 10 . O2 1 2
15 1 1 1 1 4 G H1 . 4 . H1 1 2
15 1 2 1 1 10 C N3 . 10 . N3 1 2
16 1 1 1 1 5 C H41 . 5 . H41 1 2
16 1 2 1 1 9 G O6 . 9 . O6 1 2
17 1 1 1 1 5 C N3 . 5 . N3 1 2
17 1 2 1 1 9 G H21 . 9 . H21 1 2
18 1 1 1 1 5 C O2 . 5 . O2 1 2
18 1 2 1 1 9 G H21 . 9 . H21 1 2
19 1 1 1 1 5 C N3 . 5 . N3 1 2
19 1 2 1 1 9 G H1 . 9 . H1 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 . . . . . 1.7 1.6 1.8 1 2
2 1 . . . . . 3.0 2.9 3.1 1 2
3 1 . . . . . 2.0 1.9 2.1 1 2
4 1 . . . . . 1.9 1.8 2.0 1 2
5 1 . . . . . 1.7 1.6 1.8 1 2
6 1 . . . . . 3.0 2.9 3.1 1 2
7 1 . . . . . 2.0 1.9 2.1 1 2
8 1 . . . . . 1.9 1.8 2.0 1 2
9 1 . . . . . 3.2 3.1 3.3 1 2
10 1 . . . . . 1.9 1.8 2.0 1 2
11 1 . . . . . 1.8 1.7 1.9 1 2
12 1 . . . . . 1.7 1.6 1.8 1 2
13 1 . . . . . 3.0 2.9 3.1 1 2
14 1 . . . . . 2.0 1.9 2.1 1 2
15 1 . . . . . 1.9 1.8 2.0 1 2
16 1 . . . . . 1.7 1.6 1.8 1 2
17 1 . . . . . 3.0 2.9 3.1 1 2
18 1 . . . . . 2.0 1.9 2.1 1 2
19 1 . . . . . 1.9 1.8 2.0 1 2
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 1 G H22 1 1 1 G N2 1 1 1 G C2 1 1 1 G N3 -5.0 5.0 . 1 . H22 . 1 . N2 . 1 . C2 . 1 . N3 1 1
2 . 1 1 2 G H22 1 1 2 G N2 1 1 2 G C2 1 1 2 G N3 -5.0 5.0 . 2 . H22 . 2 . N2 . 2 . C2 . 2 . N3 1 1
3 . 1 1 4 G H22 1 1 4 G N2 1 1 4 G C2 1 1 4 G N3 -5.0 5.0 . 4 . H22 . 4 . N2 . 4 . C2 . 4 . N3 1 1
4 . 1 1 9 G H22 1 1 9 G N2 1 1 9 G C2 1 1 9 G N3 -5.0 5.0 . 9 . H22 . 9 . N2 . 9 . C2 . 9 . N3 1 1
5 . 1 1 5 C H42 1 1 5 C N4 1 1 5 C C4 1 1 5 C C5 -5.0 5.0 . 5 . H42 . 5 . N4 . 5 . C4 . 5 . C5 1 1
6 . 1 1 10 C H42 1 1 10 C N4 1 1 10 C C4 1 1 10 C C5 -5.0 5.0 . 10 . H42 . 10 . N4 . 10 . C4 . 10 . C5 1 1
7 . 1 1 12 C H42 1 1 12 C N4 1 1 12 C C4 1 1 12 C C5 -5.0 5.0 . 12 . H42 . 12 . N4 . 12 . C4 . 12 . C5 1 1
8 . 1 1 13 C H42 1 1 13 C N4 1 1 13 C C4 1 1 13 C C5 -5.0 5.0 . 13 . H42 . 13 . N4 . 13 . C4 . 13 . C5 1 1
9 . 1 1 6 A H62 1 1 6 A N6 1 1 6 A C6 1 1 6 A C5 -5.0 5.0 . 6 . H62 . 6 . N6 . 6 . C6 . 6 . C5 1 1
10 . 1 1 8 A H62 1 1 8 A N6 1 1 8 A C6 1 1 8 A C5 -5.0 5.0 . 8 . H62 . 8 . N6 . 8 . C6 . 8 . C5 1 1
11 . 1 1 11 A H62 1 1 11 A N6 1 1 11 A C6 1 1 11 A C5 -5.0 5.0 . 11 . H62 . 11 . N6 . 11 . C6 . 11 . C5 1 1
12 . 1 1 2 G C4' 1 1 2 G O4' 1 1 2 G C1' 1 1 2 G C2' -5.0 5.0 . 2 . C4' . 2 . O4' . 2 . C1' . 2 . C2' 1 1
13 . 1 1 2 G O4' 1 1 2 G C1' 1 1 2 G C2' 1 1 2 G C3' -26.999998 -17.0 . 2 . O4' . 2 . C1' . 2 . C2' . 2 . C3' 1 1
14 . 1 1 2 G C1' 1 1 2 G C2' 1 1 2 G C3' 1 1 2 G C4' 30.999998 41.0 . 2 . C1' . 2 . C2' . 2 . C3' . 2 . C4' 1 1
15 . 1 1 2 G C2' 1 1 2 G C3' 1 1 2 G C4' 1 1 2 G O4' -41.0 -30.999998 . 2 . C2' . 2 . C3' . 2 . C4' . 2 . O4' 1 1
16 . 1 1 3 U C4' 1 1 3 U O4' 1 1 3 U C1' 1 1 3 U C2' -5.0 5.0 . 3 . C4' . 3 . O4' . 3 . C1' . 3 . C2' 1 1
17 . 1 1 3 U O4' 1 1 3 U C1' 1 1 3 U C2' 1 1 3 U C3' -26.999998 -17.0 . 3 . O4' . 3 . C1' . 3 . C2' . 3 . C3' 1 1
18 . 1 1 3 U C1' 1 1 3 U C2' 1 1 3 U C3' 1 1 3 U C4' 30.999998 41.0 . 3 . C1' . 3 . C2' . 3 . C3' . 3 . C4' 1 1
19 . 1 1 3 U C2' 1 1 3 U C3' 1 1 3 U C4' 1 1 3 U O4' -41.0 -30.999998 . 3 . C2' . 3 . C3' . 3 . C4' . 3 . O4' 1 1
20 . 1 1 4 G C4' 1 1 4 G O4' 1 1 4 G C1' 1 1 4 G C2' -5.0 5.0 . 4 . C4' . 4 . O4' . 4 . C1' . 4 . C2' 1 1
21 . 1 1 4 G O4' 1 1 4 G C1' 1 1 4 G C2' 1 1 4 G C3' -26.999998 -17.0 . 4 . O4' . 4 . C1' . 4 . C2' . 4 . C3' 1 1
22 . 1 1 4 G C1' 1 1 4 G C2' 1 1 4 G C3' 1 1 4 G C4' 30.999998 41.0 . 4 . C1' . 4 . C2' . 4 . C3' . 4 . C4' 1 1
23 . 1 1 4 G C2' 1 1 4 G C3' 1 1 4 G C4' 1 1 4 G O4' -41.0 -30.999998 . 4 . C2' . 4 . C3' . 4 . C4' . 4 . O4' 1 1
24 . 1 1 10 C C4' 1 1 10 C O4' 1 1 10 C C1' 1 1 10 C C2' -5.0 5.0 . 10 . C4' . 10 . O4' . 10 . C1' . 10 . C2' 1 1
25 . 1 1 10 C O4' 1 1 10 C C1' 1 1 10 C C2' 1 1 10 C C3' -26.999998 -17.0 . 10 . O4' . 10 . C1' . 10 . C2' . 10 . C3' 1 1
26 . 1 1 10 C C1' 1 1 10 C C2' 1 1 10 C C3' 1 1 10 C C4' 30.999998 41.0 . 10 . C1' . 10 . C2' . 10 . C3' . 10 . C4' 1 1
27 . 1 1 10 C C2' 1 1 10 C C3' 1 1 10 C C4' 1 1 10 C O4' -41.0 -30.999998 . 10 . C2' . 10 . C3' . 10 . C4' . 10 . O4' 1 1
28 . 1 1 11 A C4' 1 1 11 A O4' 1 1 11 A C1' 1 1 11 A C2' -5.0 5.0 . 11 . C4' . 11 . O4' . 11 . C1' . 11 . C2' 1 1
29 . 1 1 11 A O4' 1 1 11 A C1' 1 1 11 A C2' 1 1 11 A C3' -26.999998 -17.0 . 11 . O4' . 11 . C1' . 11 . C2' . 11 . C3' 1 1
30 . 1 1 11 A C1' 1 1 11 A C2' 1 1 11 A C3' 1 1 11 A C4' 30.999998 41.0 . 11 . C1' . 11 . C2' . 11 . C3' . 11 . C4' 1 1
31 . 1 1 11 A C2' 1 1 11 A C3' 1 1 11 A C4' 1 1 11 A O4' -41.0 -30.999998 . 11 . C2' . 11 . C3' . 11 . C4' . 11 . O4' 1 1
32 . 1 1 12 C C4' 1 1 12 C O4' 1 1 12 C C1' 1 1 12 C C2' -5.0 5.0 . 12 . C4' . 12 . O4' . 12 . C1' . 12 . C2' 1 1
33 . 1 1 12 C O4' 1 1 12 C C1' 1 1 12 C C2' 1 1 12 C C3' -26.999998 -17.0 . 12 . O4' . 12 . C1' . 12 . C2' . 12 . C3' 1 1
34 . 1 1 12 C C1' 1 1 12 C C2' 1 1 12 C C3' 1 1 12 C C4' 30.999998 41.0 . 12 . C1' . 12 . C2' . 12 . C3' . 12 . C4' 1 1
35 . 1 1 12 C C2' 1 1 12 C C3' 1 1 12 C C4' 1 1 12 C O4' -41.0 -30.999998 . 12 . C2' . 12 . C3' . 12 . C4' . 12 . O4' 1 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 2
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 1 G C4' 1 1 1 G O4' 1 1 1 G C1' 1 1 1 G C2' -40.0 0.0 . 1 . C4' . 1 . O4' . 1 . C1' . 1 . C2' 1 2
2 . 1 1 1 G O4' 1 1 1 G C1' 1 1 1 G C2' 1 1 1 G C3' -10.0 40.0 . 1 . O4' . 1 . C1' . 1 . C2' . 1 . C3' 1 2
3 . 1 1 1 G C1' 1 1 1 G C2' 1 1 1 G C3' 1 1 1 G C4' -35.0 35.0 . 1 . C1' . 1 . C2' . 1 . C3' . 1 . C4' 1 2
4 . 1 1 1 G C2' 1 1 1 G C3' 1 1 1 G C4' 1 1 1 G O4' -40.0 40.0 . 1 . C2' . 1 . C3' . 1 . C4' . 1 . O4' 1 2
5 . 1 1 5 C C4' 1 1 5 C O4' 1 1 5 C C1' 1 1 5 C C2' -40.0 0.0 . 5 . C4' . 5 . O4' . 5 . C1' . 5 . C2' 1 2
6 . 1 1 5 C O4' 1 1 5 C C1' 1 1 5 C C2' 1 1 5 C C3' -10.0 40.0 . 5 . O4' . 5 . C1' . 5 . C2' . 5 . C3' 1 2
7 . 1 1 5 C C1' 1 1 5 C C2' 1 1 5 C C3' 1 1 5 C C4' -35.0 35.0 . 5 . C1' . 5 . C2' . 5 . C3' . 5 . C4' 1 2
8 . 1 1 5 C C2' 1 1 5 C C3' 1 1 5 C C4' 1 1 5 C O4' -40.0 40.0 . 5 . C2' . 5 . C3' . 5 . C4' . 5 . O4' 1 2
9 . 1 1 8 A C4' 1 1 8 A O4' 1 1 8 A C1' 1 1 8 A C2' -40.0 0.0 . 8 . C4' . 8 . O4' . 8 . C1' . 8 . C2' 1 2
10 . 1 1 8 A O4' 1 1 8 A C1' 1 1 8 A C2' 1 1 8 A C3' -10.0 40.0 . 8 . O4' . 8 . C1' . 8 . C2' . 8 . C3' 1 2
11 . 1 1 8 A C1' 1 1 8 A C2' 1 1 8 A C3' 1 1 8 A C4' -35.0 35.0 . 8 . C1' . 8 . C2' . 8 . C3' . 8 . C4' 1 2
12 . 1 1 8 A C2' 1 1 8 A C3' 1 1 8 A C4' 1 1 8 A O4' -40.0 40.0 . 8 . C2' . 8 . C3' . 8 . C4' . 8 . O4' 1 2
13 . 1 1 13 C C4' 1 1 13 C O4' 1 1 13 C C1' 1 1 13 C C2' -40.0 0.0 . 13 . C4' . 13 . O4' . 13 . C1' . 13 . C2' 1 2
14 . 1 1 13 C O4' 1 1 13 C C1' 1 1 13 C C2' 1 1 13 C C3' -10.0 40.0 . 13 . O4' . 13 . C1' . 13 . C2' . 13 . C3' 1 2
15 . 1 1 13 C C1' 1 1 13 C C2' 1 1 13 C C3' 1 1 13 C C4' -35.0 35.0 . 13 . C1' . 13 . C2' . 13 . C3' . 13 . C4' 1 2
16 . 1 1 13 C C2' 1 1 13 C C3' 1 1 13 C C4' 1 1 13 C O4' -40.0 40.0 . 13 . C2' . 13 . C3' . 13 . C4' . 13 . O4' 1 2
stop_
save_
save_CNS/XPLOR_dihedral_8
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 3
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 1 G O4' 1 1 1 G C1' 1 1 1 G N9 1 1 1 G C4 -210.0 -110.0 . 1 . O4' . 1 . C1' . 1 . N9 . 1 . C4 1 3
2 . 1 1 2 G O4' 1 1 2 G C1' 1 1 2 G N9 1 1 2 G C4 -210.0 -110.0 . 2 . O4' . 2 . C1' . 2 . N9 . 2 . C4 1 3
3 . 1 1 3 U O4' 1 1 3 U C1' 1 1 3 U N1 1 1 3 U C2 -210.0 -110.0 . 3 . O4' . 3 . C1' . 3 . N1 . 3 . C2 1 3
4 . 1 1 4 G O4' 1 1 4 G C1' 1 1 4 G N9 1 1 4 G C4 -210.0 -110.0 . 4 . O4' . 4 . C1' . 4 . N9 . 4 . C4 1 3
5 . 1 1 5 C O4' 1 1 5 C C1' 1 1 5 C N1 1 1 5 C C2 -210.0 -110.0 . 5 . O4' . 5 . C1' . 5 . N1 . 5 . C2 1 3
6 . 1 1 6 A O4' 1 1 6 A C1' 1 1 6 A N9 1 1 6 A C4 -210.0 -110.0 . 6 . O4' . 6 . C1' . 6 . N9 . 6 . C4 1 3
7 . 1 1 7 U O4' 1 1 7 U C1' 1 1 7 U N1 1 1 7 U C2 -210.0 -110.0 . 7 . O4' . 7 . C1' . 7 . N1 . 7 . C2 1 3
8 . 1 1 9 G O4' 1 1 9 G C1' 1 1 9 G N9 1 1 9 G C4 -210.0 -110.0 . 9 . O4' . 9 . C1' . 9 . N9 . 9 . C4 1 3
9 . 1 1 10 C O4' 1 1 10 C C1' 1 1 10 C N1 1 1 10 C C2 -210.0 -110.0 . 10 . O4' . 10 . C1' . 10 . N1 . 10 . C2 1 3
10 . 1 1 11 A O4' 1 1 11 A C1' 1 1 11 A N9 1 1 11 A C4 -210.0 -110.0 . 11 . O4' . 11 . C1' . 11 . N9 . 11 . C4 1 3
11 . 1 1 12 C O4' 1 1 12 C C1' 1 1 12 C N1 1 1 12 C C2 -210.0 -110.0 . 12 . O4' . 12 . C1' . 12 . N1 . 12 . C2 1 3
12 . 1 1 13 C O4' 1 1 13 C C1' 1 1 13 C N1 1 1 13 C C2 -210.0 -110.0 . 13 . O4' . 13 . C1' . 13 . N1 . 13 . C2 1 3
stop_
save_
save_CNS/XPLOR_dihedral_9
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 4
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 8 A O4' 1 1 8 A C1' 1 1 8 A N9 1 1 8 A C4 -10.0 70.0 . 8 . O4' . 8 . C1' . 8 . N9 . 8 . C4 1 4
2 . 1 1 2 G P 1 1 2 G O5' 1 1 2 G C5' 1 1 2 G C4' 160.0 200.0 . 2 . P . 2 . O5' . 2 . C5' . 2 . C4' 1 4
3 . 1 1 3 U P 1 1 3 U O5' 1 1 3 U C5' 1 1 3 U C4' 160.0 200.0 . 3 . P . 3 . O5' . 3 . C5' . 3 . C4' 1 4
4 . 1 1 4 G P 1 1 4 G O5' 1 1 4 G C5' 1 1 4 G C4' 160.0 200.0 . 4 . P . 4 . O5' . 4 . C5' . 4 . C4' 1 4
5 . 1 1 10 C P 1 1 10 C O5' 1 1 10 C C5' 1 1 10 C C4' 160.0 200.0 . 10 . P . 10 . O5' . 10 . C5' . 10 . C4' 1 4
6 . 1 1 11 A P 1 1 11 A O5' 1 1 11 A C5' 1 1 11 A C4' 160.0 200.0 . 11 . P . 11 . O5' . 11 . C5' . 11 . C4' 1 4
7 . 1 1 12 C P 1 1 12 C O5' 1 1 12 C C5' 1 1 12 C C4' 160.0 200.0 . 12 . P . 12 . O5' . 12 . C5' . 12 . C4' 1 4
8 . 1 1 13 C P 1 1 13 C O5' 1 1 13 C C5' 1 1 13 C C4' 160.0 200.0 . 13 . P . 13 . O5' . 13 . C5' . 13 . C4' 1 4
9 . 1 1 1 G O5' 1 1 1 G C5' 1 1 1 G C4' 1 1 1 G C3' 25.0 85.0 . 1 . O5' . 1 . C5' . 1 . C4' . 1 . C3' 1 4
10 . 1 1 2 G O5' 1 1 2 G C5' 1 1 2 G C4' 1 1 2 G C3' 25.0 85.0 . 2 . O5' . 2 . C5' . 2 . C4' . 2 . C3' 1 4
11 . 1 1 3 U O5' 1 1 3 U C5' 1 1 3 U C4' 1 1 3 U C3' 25.0 85.0 . 3 . O5' . 3 . C5' . 3 . C4' . 3 . C3' 1 4
12 . 1 1 4 G O5' 1 1 4 G C5' 1 1 4 G C4' 1 1 4 G C3' 25.0 85.0 . 4 . O5' . 4 . C5' . 4 . C4' . 4 . C3' 1 4
13 . 1 1 10 C O5' 1 1 10 C C5' 1 1 10 C C4' 1 1 10 C C3' 25.0 85.0 . 10 . O5' . 10 . C5' . 10 . C4' . 10 . C3' 1 4
14 . 1 1 11 A O5' 1 1 11 A C5' 1 1 11 A C4' 1 1 11 A C3' 25.0 85.0 . 11 . O5' . 11 . C5' . 11 . C4' . 11 . C3' 1 4
15 . 1 1 12 C O5' 1 1 12 C C5' 1 1 12 C C4' 1 1 12 C C3' 25.0 85.0 . 12 . O5' . 12 . C5' . 12 . C4' . 12 . C3' 1 4
16 . 1 1 13 C O5' 1 1 13 C C5' 1 1 13 C C4' 1 1 13 C C3' 25.0 85.0 . 13 . O5' . 13 . C5' . 13 . C4' . 13 . C3' 1 4
17 . 1 1 1 G C4' 1 1 1 G C3' 1 1 1 G O3' 1 1 2 G P -174.99998 -135.0 . 1 . C4' . 1 . C3' . 1 . O3' . 2 . P 1 4
18 . 1 1 2 G C4' 1 1 2 G C3' 1 1 2 G O3' 1 1 3 U P -174.99998 -135.0 . 2 . C4' . 2 . C3' . 2 . O3' . 3 . P 1 4
19 . 1 1 3 U C4' 1 1 3 U C3' 1 1 3 U O3' 1 1 4 G P -174.99998 -135.0 . 3 . C4' . 3 . C3' . 3 . O3' . 4 . P 1 4
20 . 1 1 4 G C4' 1 1 4 G C3' 1 1 4 G O3' 1 1 5 C P -174.99998 -135.0 . 4 . C4' . 4 . C3' . 4 . O3' . 5 . P 1 4
21 . 1 1 10 C C4' 1 1 10 C C3' 1 1 10 C O3' 1 1 11 A P -174.99998 -135.0 . 10 . C4' . 10 . C3' . 10 . O3' . 11 . P 1 4
22 . 1 1 11 A C4' 1 1 11 A C3' 1 1 11 A O3' 1 1 12 C P -174.99998 -135.0 . 11 . C4' . 11 . C3' . 11 . O3' . 12 . P 1 4
23 . 1 1 12 C C4' 1 1 12 C C3' 1 1 12 C O3' 1 1 13 C P -174.99998 -135.0 . 12 . C4' . 12 . C3' . 12 . O3' . 13 . P 1 4
24 . 1 1 1 G O3' 1 1 2 G P 1 1 2 G O5' 1 1 2 G C5' -100.0 -40.0 . 1 . O3' . 2 . P . 2 . O5' . 2 . C5' 1 4
25 . 1 1 2 G O3' 1 1 3 U P 1 1 3 U O5' 1 1 3 U C5' -100.0 -40.0 . 2 . O3' . 3 . P . 3 . O5' . 3 . C5' 1 4
26 . 1 1 3 U O3' 1 1 4 G P 1 1 4 G O5' 1 1 4 G C5' -100.0 -40.0 . 3 . O3' . 4 . P . 4 . O5' . 4 . C5' 1 4
27 . 1 1 4 G O3' 1 1 5 C P 1 1 5 C O5' 1 1 5 C C5' -100.0 -40.0 . 4 . O3' . 5 . P . 5 . O5' . 5 . C5' 1 4
28 . 1 1 10 C O3' 1 1 11 A P 1 1 11 A O5' 1 1 11 A C5' -100.0 -40.0 . 10 . O3' . 11 . P . 11 . O5' . 11 . C5' 1 4
29 . 1 1 11 A O3' 1 1 12 C P 1 1 12 C O5' 1 1 12 C C5' -100.0 -40.0 . 11 . O3' . 12 . P . 12 . O5' . 12 . C5' 1 4
30 . 1 1 12 C O3' 1 1 13 C P 1 1 13 C O5' 1 1 13 C C5' -100.0 -40.0 . 12 . O3' . 13 . P . 13 . O5' . 13 . C5' 1 4
31 . 1 1 1 G C3' 1 1 1 G O3' 1 1 2 G P 1 1 2 G O5' -100.0 -40.0 . 1 . C3' . 1 . O3' . 2 . P . 2 . O5' 1 4
32 . 1 1 2 G C3' 1 1 2 G O3' 1 1 3 U P 1 1 3 U O5' -100.0 -40.0 . 2 . C3' . 2 . O3' . 3 . P . 3 . O5' 1 4
33 . 1 1 3 U C3' 1 1 3 U O3' 1 1 4 G P 1 1 4 G O5' -100.0 -40.0 . 3 . C3' . 3 . O3' . 4 . P . 4 . O5' 1 4
34 . 1 1 4 G C3' 1 1 4 G O3' 1 1 5 C P 1 1 5 C O5' -100.0 -40.0 . 4 . C3' . 4 . O3' . 5 . P . 5 . O5' 1 4
35 . 1 1 10 C C3' 1 1 10 C O3' 1 1 11 A P 1 1 11 A O5' -100.0 -40.0 . 10 . C3' . 10 . O3' . 11 . P . 11 . O5' 1 4
36 . 1 1 11 A C3' 1 1 11 A O3' 1 1 12 C P 1 1 12 C O5' -100.0 -40.0 . 11 . C3' . 11 . O3' . 12 . P . 12 . O5' 1 4
37 . 1 1 12 C C3' 1 1 12 C O3' 1 1 13 C P 1 1 13 C O5' -100.0 -40.0 . 12 . C3' . 12 . O3' . 13 . P . 13 . O5' 1 4
stop_
save_
save_CNS/XPLOR_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 5
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 6 A C4' 1 1 6 A O4' 1 1 6 A C1' 1 1 6 A C2' -23.0 -13.0 . 6 . C4' . 6 . O4' . 6 . C1' . 6 . C2' 1 5
2 . 1 1 6 A O4' 1 1 6 A C1' 1 1 6 A C2' 1 1 6 A C3' 29.0 39.0 . 6 . O4' . 6 . C1' . 6 . C2' . 6 . C3' 1 5
3 . 1 1 6 A C1' 1 1 6 A C2' 1 1 6 A C3' 1 1 6 A C4' -42.0 -32.0 . 6 . C1' . 6 . C2' . 6 . C3' . 6 . C4' 1 5
4 . 1 1 6 A C2' 1 1 6 A C3' 1 1 6 A C4' 1 1 6 A O4' 21.0 30.999998 . 6 . C2' . 6 . C3' . 6 . C4' . 6 . O4' 1 5
5 . 1 1 7 U C4' 1 1 7 U O4' 1 1 7 U C1' 1 1 7 U C2' -23.0 -13.0 . 7 . C4' . 7 . O4' . 7 . C1' . 7 . C2' 1 5
6 . 1 1 7 U O4' 1 1 7 U C1' 1 1 7 U C2' 1 1 7 U C3' 29.0 39.0 . 7 . O4' . 7 . C1' . 7 . C2' . 7 . C3' 1 5
7 . 1 1 7 U C1' 1 1 7 U C2' 1 1 7 U C3' 1 1 7 U C4' -42.0 -32.0 . 7 . C1' . 7 . C2' . 7 . C3' . 7 . C4' 1 5
8 . 1 1 7 U C2' 1 1 7 U C3' 1 1 7 U C4' 1 1 7 U O4' 21.0 30.999998 . 7 . C2' . 7 . C3' . 7 . C4' . 7 . O4' 1 5
9 . 1 1 9 G C4' 1 1 9 G O4' 1 1 9 G C1' 1 1 9 G C2' -23.0 -13.0 . 9 . C4' . 9 . O4' . 9 . C1' . 9 . C2' 1 5
10 . 1 1 9 G O4' 1 1 9 G C1' 1 1 9 G C2' 1 1 9 G C3' 29.0 39.0 . 9 . O4' . 9 . C1' . 9 . C2' . 9 . C3' 1 5
11 . 1 1 9 G C1' 1 1 9 G C2' 1 1 9 G C3' 1 1 9 G C4' -42.0 -32.0 . 9 . C1' . 9 . C2' . 9 . C3' . 9 . C4' 1 5
12 . 1 1 9 G C2' 1 1 9 G C3' 1 1 9 G C4' 1 1 9 G O4' 21.0 30.999998 . 9 . C2' . 9 . C3' . 9 . C4' . 9 . O4' 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 -8.129 -7.534 0.692 1.00 . A A . 1 G C1' 1 1
1 2 1 1 1 G C2 C -5.750 -4.445 2.612 1.00 . A A . 1 G C2 1 1
1 3 1 1 1 G C2' C -8.305 -6.644 -0.544 1.00 . A A . 1 G C2' 1 1
1 4 1 1 1 G C3' C -8.526 -7.647 -1.672 1.00 . A A . 1 G C3' 1 1
1 5 1 1 1 G C4 C -6.093 -6.483 1.773 1.00 . A A . 1 G C4 1 1
1 6 1 1 1 G C4' C -9.129 -8.851 -0.973 1.00 . A A . 1 G C4' 1 1
1 7 1 1 1 G C5 C -4.823 -6.926 2.057 1.00 . A A . 1 G C5 1 1
1 8 1 1 1 G C5' C -8.893 -10.184 -1.675 1.00 . A A . 1 G C5' 1 1
1 9 1 1 1 G C6 C -3.899 -6.049 2.687 1.00 . A A . 1 G C6 1 1
1 10 1 1 1 G C8 C -5.820 -8.559 1.134 1.00 . A A . 1 G C8 1 1
1 11 1 1 1 G H1 H -3.873 -4.117 3.379 1.00 . A A . 1 G H1 1 1
1 12 1 1 1 G H1' H -8.788 -7.214 1.499 1.00 . A A . 1 G H1' 1 1
1 13 1 1 1 G H2' H -7.409 -6.052 -0.723 1.00 . A A . 1 G H2' 1 1
1 14 1 1 1 G H21 H -5.467 -2.572 3.359 1.00 . A A . 1 G H21 1 1
1 15 1 1 1 G H22 H -7.061 -2.891 2.712 1.00 . A A . 1 G H22 1 1
1 16 1 1 1 G H3' H -7.617 -7.880 -2.226 1.00 . A A . 1 G H3' 1 1
1 17 1 1 1 G H4' H -10.200 -8.712 -0.824 1.00 . A A . 1 G H4' 1 1
1 18 1 1 1 G H5' H -9.194 -10.994 -1.011 1.00 . A A . 1 G H5' 1 1
1 19 1 1 1 G H5'' H -9.499 -10.222 -2.580 1.00 . A A . 1 G H5'' 1 1
1 20 1 1 1 G H8 H -6.038 -9.538 0.709 1.00 . A A . 1 G H8 1 1
1 21 1 1 1 G HO2' H -9.193 -4.917 -0.649 1.00 . A A . 1 G HO2' 1 1
1 22 1 1 1 G HO5' H -7.006 -10.290 -1.218 1.00 . A A . 1 G HO5' 1 1
1 23 1 1 1 G N1 N -4.460 -4.806 2.932 1.00 . A A . 1 G N1 1 1
1 24 1 1 1 G N2 N -6.123 -3.202 2.919 1.00 . A A . 1 G N2 1 1
1 25 1 1 1 G N3 N -6.626 -5.261 2.020 1.00 . A A . 1 G N3 1 1
1 26 1 1 1 G N7 N -4.663 -8.245 1.646 1.00 . A A . 1 G N7 1 1
1 27 1 1 1 G N9 N -6.736 -7.540 1.176 1.00 . A A . 1 G N9 1 1
1 28 1 1 1 G O2' O -9.453 -5.805 -0.393 1.00 . A A . 1 G O2' 1 1
1 29 1 1 1 G O3' O -9.541 -7.103 -2.520 1.00 . A A . 1 G O3' 1 1
1 30 1 1 1 G O4' O -8.480 -8.866 0.294 1.00 . A A . 1 G O4' 1 1
1 31 1 1 1 G O5' O -7.518 -10.357 -2.027 1.00 . A A . 1 G O5' 1 1
1 32 1 1 1 G O6 O -2.734 -6.273 3.011 1.00 . A A . 1 G O6 1 1
1 33 1 1 2 G C1' C -8.248 -1.801 -0.283 1.00 . A A . 2 G C1' 1 1
1 34 1 1 2 G C2 C -4.465 -0.644 1.525 1.00 . A A . 2 G C2 1 1
1 35 1 1 2 G C2' C -8.538 -0.727 -1.330 1.00 . A A . 2 G C2' 1 1
1 36 1 1 2 G C3' C -9.188 -1.542 -2.435 1.00 . A A . 2 G C3' 1 1
1 37 1 1 2 G C4 C -5.764 -1.899 0.213 1.00 . A A . 2 G C4 1 1
1 38 1 1 2 G C4' C -10.015 -2.553 -1.660 1.00 . A A . 2 G C4' 1 1
1 39 1 1 2 G C5 C -4.736 -2.711 -0.203 1.00 . A A . 2 G C5 1 1
1 40 1 1 2 G C5' C -10.322 -3.846 -2.409 1.00 . A A . 2 G C5' 1 1
1 41 1 1 2 G C6 C -3.421 -2.484 0.287 1.00 . A A . 2 G C6 1 1
1 42 1 1 2 G C8 C -6.479 -3.426 -1.185 1.00 . A A . 2 G C8 1 1
1 43 1 1 2 G H1 H -2.482 -1.175 1.560 1.00 . A A . 2 G H1 1 1
1 44 1 1 2 G H1' H -8.375 -1.409 0.726 1.00 . A A . 2 G H1' 1 1
1 45 1 1 2 G H2' H -7.618 -0.259 -1.675 1.00 . A A . 2 G H2' 1 1
1 46 1 1 2 G H21 H -3.299 0.575 2.666 1.00 . A A . 2 G H21 1 1
1 47 1 1 2 G H22 H -5.016 0.903 2.727 1.00 . A A . 2 G H22 1 1
1 48 1 1 2 G H3' H -8.471 -1.999 -3.117 1.00 . A A . 2 G H3' 1 1
1 49 1 1 2 G H4' H -10.953 -2.106 -1.328 1.00 . A A . 2 G H4' 1 1
1 50 1 1 2 G H5' H -11.027 -4.436 -1.823 1.00 . A A . 2 G H5' 1 1
1 51 1 1 2 G H5'' H -10.776 -3.602 -3.369 1.00 . A A . 2 G H5'' 1 1
1 52 1 1 2 G H8 H -7.154 -4.003 -1.817 1.00 . A A . 2 G H8 1 1
1 53 1 1 2 G HO2' H -8.960 1.054 -0.674 1.00 . A A . 2 G HO2' 1 1
1 54 1 1 2 G N1 N -3.380 -1.409 1.162 1.00 . A A . 2 G N1 1 1
1 55 1 1 2 G N2 N -4.242 0.359 2.375 1.00 . A A . 2 G N2 1 1
1 56 1 1 2 G N3 N -5.706 -0.850 1.071 1.00 . A A . 2 G N3 1 1
1 57 1 1 2 G N7 N -5.203 -3.676 -1.089 1.00 . A A . 2 G N7 1 1
1 58 1 1 2 G N9 N -6.891 -2.363 -0.423 1.00 . A A . 2 G N9 1 1
1 59 1 1 2 G O2' O -9.454 0.243 -0.815 1.00 . A A . 2 G O2' 1 1
1 60 1 1 2 G O3' O -10.098 -0.675 -3.118 1.00 . A A . 2 G O3' 1 1
1 61 1 1 2 G O4' O -9.209 -2.848 -0.513 1.00 . A A . 2 G O4' 1 1
1 62 1 1 2 G O5' O -9.141 -4.621 -2.634 1.00 . A A . 2 G O5' 1 1
1 63 1 1 2 G O6 O -2.392 -3.104 0.027 1.00 . A A . 2 G O6 1 1
1 64 1 1 2 G OP1 O -10.330 -5.792 -4.504 1.00 . A A . 2 G OP1 1 1
1 65 1 1 2 G OP2 O -7.829 -6.175 -4.097 1.00 . A A . 2 G OP2 1 1
1 66 1 1 2 G P P -9.190 -5.932 -3.569 1.00 . A A . 2 G P 1 1
1 67 1 1 3 U C1' C -5.583 1.928 -1.363 1.00 . A A . 3 U C1' 1 1
1 68 1 1 3 U C2 C -3.522 0.595 -1.371 1.00 . A A . 3 U C2 1 1
1 69 1 1 3 U C2' C -5.235 3.288 -1.968 1.00 . A A . 3 U C2' 1 1
1 70 1 1 3 U C3' C -6.326 3.463 -3.013 1.00 . A A . 3 U C3' 1 1
1 71 1 1 3 U C4 C -3.172 -1.221 -2.997 1.00 . A A . 3 U C4 1 1
1 72 1 1 3 U C4' C -7.527 2.828 -2.341 1.00 . A A . 3 U C4' 1 1
1 73 1 1 3 U C5 C -4.476 -0.909 -3.538 1.00 . A A . 3 U C5 1 1
1 74 1 1 3 U C5' C -8.639 2.372 -3.287 1.00 . A A . 3 U C5' 1 1
1 75 1 1 3 U C6 C -5.216 0.094 -3.000 1.00 . A A . 3 U C6 1 1
1 76 1 1 3 U H1' H -5.462 1.946 -0.281 1.00 . A A . 3 U H1' 1 1
1 77 1 1 3 U H2' H -4.251 3.266 -2.426 1.00 . A A . 3 U H2' 1 1
1 78 1 1 3 U H3 H -1.880 -0.617 -1.531 1.00 . A A . 3 U H3 1 1
1 79 1 1 3 U H3' H -6.080 3.017 -3.976 1.00 . A A . 3 U H3' 1 1
1 80 1 1 3 U H4' H -7.946 3.503 -1.592 1.00 . A A . 3 U H4' 1 1
1 81 1 1 3 U H5 H -4.866 -1.481 -4.380 1.00 . A A . 3 U H5 1 1
1 82 1 1 3 U H5' H -9.591 2.377 -2.754 1.00 . A A . 3 U H5' 1 1
1 83 1 1 3 U H5'' H -8.699 3.066 -4.126 1.00 . A A . 3 U H5'' 1 1
1 84 1 1 3 U H6 H -6.193 0.319 -3.427 1.00 . A A . 3 U H6 1 1
1 85 1 1 3 U HO2' H -4.763 5.039 -1.265 1.00 . A A . 3 U HO2' 1 1
1 86 1 1 3 U N1 N -4.762 0.837 -1.940 1.00 . A A . 3 U N1 1 1
1 87 1 1 3 U N3 N -2.786 -0.429 -1.934 1.00 . A A . 3 U N3 1 1
1 88 1 1 3 U O2 O -3.093 1.250 -0.424 1.00 . A A . 3 U O2 1 1
1 89 1 1 3 U O2' O -5.322 4.314 -0.975 1.00 . A A . 3 U O2' 1 1
1 90 1 1 3 U O3' O -6.588 4.864 -3.121 1.00 . A A . 3 U O3' 1 1
1 91 1 1 3 U O4 O -2.425 -2.109 -3.405 1.00 . A A . 3 U O4 1 1
1 92 1 1 3 U O4' O -6.967 1.691 -1.682 1.00 . A A . 3 U O4' 1 1
1 93 1 1 3 U O5' O -8.398 1.055 -3.791 1.00 . A A . 3 U O5' 1 1
1 94 1 1 3 U OP1 O -10.701 1.103 -4.777 1.00 . A A . 3 U OP1 1 1
1 95 1 1 3 U OP2 O -9.050 -0.757 -5.392 1.00 . A A . 3 U OP2 1 1
1 96 1 1 3 U P P -9.609 0.180 -4.393 1.00 . A A . 3 U P 1 1
1 97 1 1 4 G C1' C -0.977 5.583 -2.436 1.00 . A A . 4 G C1' 1 1
1 98 1 1 4 G C2 C 2.036 2.508 -3.024 1.00 . A A . 4 G C2 1 1
1 99 1 1 4 G C2' C -0.455 6.755 -3.268 1.00 . A A . 4 G C2' 1 1
1 100 1 1 4 G C3' C -1.743 7.370 -3.790 1.00 . A A . 4 G C3' 1 1
1 101 1 1 4 G C4 C 0.022 3.424 -3.308 1.00 . A A . 4 G C4 1 1
1 102 1 1 4 G C4' C -2.705 7.183 -2.630 1.00 . A A . 4 G C4' 1 1
1 103 1 1 4 G C5 C -0.448 2.401 -4.097 1.00 . A A . 4 G C5 1 1
1 104 1 1 4 G C5' C -4.180 7.128 -3.017 1.00 . A A . 4 G C5' 1 1
1 105 1 1 4 G C6 C 0.401 1.300 -4.394 1.00 . A A . 4 G C6 1 1
1 106 1 1 4 G C8 C -2.043 3.794 -3.935 1.00 . A A . 4 G C8 1 1
1 107 1 1 4 G H1 H 2.313 0.701 -3.958 1.00 . A A . 4 G H1 1 1
1 108 1 1 4 G H1' H -0.374 5.443 -1.539 1.00 . A A . 4 G H1' 1 1
1 109 1 1 4 G H2' H 0.174 6.405 -4.085 1.00 . A A . 4 G H2' 1 1
1 110 1 1 4 G H21 H 3.917 1.751 -2.818 1.00 . A A . 4 G H21 1 1
1 111 1 1 4 G H22 H 3.591 3.214 -1.915 1.00 . A A . 4 G H22 1 1
1 112 1 1 4 G H3' H -2.093 6.921 -4.720 1.00 . A A . 4 G H3' 1 1
1 113 1 1 4 G H4' H -2.565 7.969 -1.888 1.00 . A A . 4 G H4' 1 1
1 114 1 1 4 G H5' H -4.782 7.058 -2.111 1.00 . A A . 4 G H5' 1 1
1 115 1 1 4 G H5'' H -4.443 8.043 -3.549 1.00 . A A . 4 G H5'' 1 1
1 116 1 1 4 G H8 H -3.006 4.289 -4.050 1.00 . A A . 4 G H8 1 1
1 117 1 1 4 G HO2' H 0.036 8.566 -2.758 1.00 . A A . 4 G HO2' 1 1
1 118 1 1 4 G N1 N 1.646 1.442 -3.804 1.00 . A A . 4 G N1 1 1
1 119 1 1 4 G N2 N 3.281 2.488 -2.546 1.00 . A A . 4 G N2 1 1
1 120 1 1 4 G N3 N 1.246 3.546 -2.738 1.00 . A A . 4 G N3 1 1
1 121 1 1 4 G N7 N -1.759 2.648 -4.488 1.00 . A A . 4 G N7 1 1
1 122 1 1 4 G N9 N -1.011 4.323 -3.203 1.00 . A A . 4 G N9 1 1
1 123 1 1 4 G O2' O 0.245 7.686 -2.438 1.00 . A A . 4 G O2' 1 1
1 124 1 1 4 G O3' O -1.512 8.774 -3.928 1.00 . A A . 4 G O3' 1 1
1 125 1 1 4 G O4' O -2.320 5.929 -2.057 1.00 . A A . 4 G O4' 1 1
1 126 1 1 4 G O5' O -4.468 6.004 -3.853 1.00 . A A . 4 G O5' 1 1
1 127 1 1 4 G O6 O 0.152 0.307 -5.074 1.00 . A A . 4 G O6 1 1
1 128 1 1 4 G OP1 O -6.694 7.008 -4.413 1.00 . A A . 4 G OP1 1 1
1 129 1 1 4 G OP2 O -5.916 4.839 -5.534 1.00 . A A . 4 G OP2 1 1
1 130 1 1 4 G P P -5.975 5.716 -4.343 1.00 . A A . 4 G P 1 1
1 131 1 1 5 C C1' C 2.125 5.230 -6.198 1.00 . A A . 5 C C1' 1 1
1 132 1 1 5 C C2 C 1.497 3.106 -7.235 1.00 . A A . 5 C C2 1 1
1 133 1 1 5 C C2' C 2.976 5.798 -7.344 1.00 . A A . 5 C C2' 1 1
1 134 1 1 5 C C3' C 2.656 7.291 -7.309 1.00 . A A . 5 C C3' 1 1
1 135 1 1 5 C C4 C -0.749 2.496 -7.545 1.00 . A A . 5 C C4 1 1
1 136 1 1 5 C C4' C 2.236 7.532 -5.873 1.00 . A A . 5 C C4' 1 1
1 137 1 1 5 C C5 C -1.189 3.731 -6.976 1.00 . A A . 5 C C5 1 1
1 138 1 1 5 C C5' C 1.344 8.753 -5.653 1.00 . A A . 5 C C5' 1 1
1 139 1 1 5 C C6 C -0.250 4.602 -6.560 1.00 . A A . 5 C C6 1 1
1 140 1 1 5 C H1' H 2.751 4.711 -5.480 1.00 . A A . 5 C H1' 1 1
1 141 1 1 5 C H2' H 2.682 5.359 -8.297 1.00 . A A . 5 C H2' 1 1
1 142 1 1 5 C H3' H 1.899 7.583 -8.032 1.00 . A A . 5 C H3' 1 1
1 143 1 1 5 C H4' H 3.109 7.600 -5.223 1.00 . A A . 5 C H4' 1 1
1 144 1 1 5 C H41 H -1.293 0.687 -8.303 1.00 . A A . 5 C H41 1 1
1 145 1 1 5 C H42 H -2.612 1.782 -7.951 1.00 . A A . 5 C H42 1 1
1 146 1 1 5 C H5 H -2.248 3.967 -6.875 1.00 . A A . 5 C H5 1 1
1 147 1 1 5 C H5' H 1.429 9.078 -4.615 1.00 . A A . 5 C H5' 1 1
1 148 1 1 5 C H5'' H 1.678 9.559 -6.306 1.00 . A A . 5 C H5'' 1 1
1 149 1 1 5 C H6 H -0.554 5.555 -6.129 1.00 . A A . 5 C H6 1 1
1 150 1 1 5 C HO2' H 4.849 6.285 -7.525 1.00 . A A . 5 C HO2' 1 1
1 151 1 1 5 C N1 N 1.078 4.305 -6.679 1.00 . A A . 5 C N1 1 1
1 152 1 1 5 C N3 N 0.557 2.217 -7.660 1.00 . A A . 5 C N3 1 1
1 153 1 1 5 C N4 N -1.622 1.581 -7.968 1.00 . A A . 5 C N4 1 1
1 154 1 1 5 C O2 O 2.697 2.858 -7.337 1.00 . A A . 5 C O2 1 1
1 155 1 1 5 C O2' O 4.365 5.581 -7.087 1.00 . A A . 5 C O2' 1 1
1 156 1 1 5 C O3' O 3.884 7.991 -7.520 1.00 . A A . 5 C O3' 1 1
1 157 1 1 5 C O4' O 1.510 6.353 -5.555 1.00 . A A . 5 C O4' 1 1
1 158 1 1 5 C O5' O -0.027 8.462 -5.935 1.00 . A A . 5 C O5' 1 1
1 159 1 1 5 C OP1 O -0.630 10.767 -5.163 1.00 . A A . 5 C OP1 1 1
1 160 1 1 5 C OP2 O -2.390 9.239 -6.227 1.00 . A A . 5 C OP2 1 1
1 161 1 1 5 C P P -1.196 9.415 -5.372 1.00 . A A . 5 C P 1 1
1 162 1 1 6 A C1' C 0.517 5.340 -10.075 1.00 . A A . 6 A C1' 1 1
1 163 1 1 6 A C2 C -3.347 3.365 -10.165 1.00 . A A . 6 A C2 1 1
1 164 1 1 6 A C2' C 0.514 5.572 -11.576 1.00 . A A . 6 A C2' 1 1
1 165 1 1 6 A C3' C 1.978 5.883 -11.834 1.00 . A A . 6 A C3' 1 1
1 166 1 1 6 A C4 C -1.936 4.939 -9.576 1.00 . A A . 6 A C4 1 1
1 167 1 1 6 A C4' C 2.415 6.652 -10.595 1.00 . A A . 6 A C4' 1 1
1 168 1 1 6 A C5 C -2.880 5.613 -8.856 1.00 . A A . 6 A C5 1 1
1 169 1 1 6 A C5' C 2.358 8.170 -10.748 1.00 . A A . 6 A C5' 1 1
1 170 1 1 6 A C6 C -4.167 5.052 -8.830 1.00 . A A . 6 A C6 1 1
1 171 1 1 6 A C8 C -1.092 6.738 -8.671 1.00 . A A . 6 A C8 1 1
1 172 1 1 6 A H1' H 0.792 4.313 -9.833 1.00 . A A . 6 A H1' 1 1
1 173 1 1 6 A H2 H -3.572 2.439 -10.695 1.00 . A A . 6 A H2 1 1
1 174 1 1 6 A H2' H -0.120 6.418 -11.842 1.00 . A A . 6 A H2' 1 1
1 175 1 1 6 A H3' H 2.138 6.436 -12.753 1.00 . A A . 6 A H3' 1 1
1 176 1 1 6 A H4' H 3.426 6.368 -10.308 1.00 . A A . 6 A H4' 1 1
1 177 1 1 6 A H5' H 3.094 8.478 -11.491 1.00 . A A . 6 A H5' 1 1
1 178 1 1 6 A H5'' H 1.364 8.454 -11.094 1.00 . A A . 6 A H5'' 1 1
1 179 1 1 6 A H61 H -6.096 5.138 -8.188 1.00 . A A . 6 A H61 1 1
1 180 1 1 6 A H62 H -5.071 6.456 -7.666 1.00 . A A . 6 A H62 1 1
1 181 1 1 6 A H8 H -0.367 7.501 -8.398 1.00 . A A . 6 A H8 1 1
1 182 1 1 6 A HO2' H 0.079 3.681 -11.621 1.00 . A A . 6 A HO2' 1 1
1 183 1 1 6 A N1 N -4.364 3.909 -9.507 1.00 . A A . 6 A N1 1 1
1 184 1 1 6 A N3 N -2.098 3.792 -10.268 1.00 . A A . 6 A N3 1 1
1 185 1 1 6 A N6 N -5.194 5.592 -8.175 1.00 . A A . 6 A N6 1 1
1 186 1 1 6 A N7 N -2.337 6.757 -8.282 1.00 . A A . 6 A N7 1 1
1 187 1 1 6 A N9 N -0.778 5.666 -9.457 1.00 . A A . 6 A N9 1 1
1 188 1 1 6 A O2' O 0.119 4.387 -12.267 1.00 . A A . 6 A O2' 1 1
1 189 1 1 6 A O3' O 2.684 4.637 -11.828 1.00 . A A . 6 A O3' 1 1
1 190 1 1 6 A O4' O 1.506 6.242 -9.561 1.00 . A A . 6 A O4' 1 1
1 191 1 1 6 A O5' O 2.631 8.843 -9.517 1.00 . A A . 6 A O5' 1 1
1 192 1 1 6 A OP1 O 4.991 8.035 -9.767 1.00 . A A . 6 A OP1 1 1
1 193 1 1 6 A OP2 O 4.476 10.213 -8.516 1.00 . A A . 6 A OP2 1 1
1 194 1 1 6 A P P 4.110 8.825 -8.878 1.00 . A A . 6 A P 1 1
1 195 1 1 7 U C1' C 2.212 0.673 -13.826 1.00 . A A . 7 U C1' 1 1
1 196 1 1 7 U C2 C 0.093 1.352 -14.896 1.00 . A A . 7 U C2 1 1
1 197 1 1 7 U C2' C 3.485 0.565 -14.652 1.00 . A A . 7 U C2' 1 1
1 198 1 1 7 U C3' C 4.507 0.127 -13.614 1.00 . A A . 7 U C3' 1 1
1 199 1 1 7 U C4 C -0.395 3.728 -15.326 1.00 . A A . 7 U C4 1 1
1 200 1 1 7 U C4' C 4.015 0.738 -12.307 1.00 . A A . 7 U C4' 1 1
1 201 1 1 7 U C5 C 0.889 4.038 -14.738 1.00 . A A . 7 U C5 1 1
1 202 1 1 7 U C5' C 4.758 1.998 -11.872 1.00 . A A . 7 U C5' 1 1
1 203 1 1 7 U C6 C 1.684 3.042 -14.277 1.00 . A A . 7 U C6 1 1
1 204 1 1 7 U H1' H 1.695 -0.286 -13.760 1.00 . A A . 7 U H1' 1 1
1 205 1 1 7 U H2' H 3.755 1.529 -15.084 1.00 . A A . 7 U H2' 1 1
1 206 1 1 7 U H3 H -1.593 2.125 -15.765 1.00 . A A . 7 U H3 1 1
1 207 1 1 7 U H3' H 5.522 0.429 -13.866 1.00 . A A . 7 U H3' 1 1
1 208 1 1 7 U H4' H 4.070 0.000 -11.511 1.00 . A A . 7 U H4' 1 1
1 209 1 1 7 U H5 H 1.217 5.076 -14.657 1.00 . A A . 7 U H5 1 1
1 210 1 1 7 U H5' H 4.467 2.246 -10.851 1.00 . A A . 7 U H5' 1 1
1 211 1 1 7 U H5'' H 5.830 1.805 -11.899 1.00 . A A . 7 U H5'' 1 1
1 212 1 1 7 U H6 H 2.654 3.292 -13.846 1.00 . A A . 7 U H6 1 1
1 213 1 1 7 U HO2' H 3.180 -1.270 -15.224 1.00 . A A . 7 U HO2' 1 1
1 214 1 1 7 U N1 N 1.310 1.728 -14.345 1.00 . A A . 7 U N1 1 1
1 215 1 1 7 U N3 N -0.703 2.381 -15.361 1.00 . A A . 7 U N3 1 1
1 216 1 1 7 U O2 O -0.263 0.178 -14.970 1.00 . A A . 7 U O2 1 1
1 217 1 1 7 U O2' O 3.342 -0.433 -15.667 1.00 . A A . 7 U O2' 1 1
1 218 1 1 7 U O3' O 4.400 -1.293 -13.476 1.00 . A A . 7 U O3' 1 1
1 219 1 1 7 U O4 O -1.189 4.553 -15.774 1.00 . A A . 7 U O4 1 1
1 220 1 1 7 U O4' O 2.639 1.064 -12.522 1.00 . A A . 7 U O4' 1 1
1 221 1 1 7 U O5' O 4.461 3.105 -12.731 1.00 . A A . 7 U O5' 1 1
1 222 1 1 7 U OP1 O 4.988 4.666 -10.843 1.00 . A A . 7 U OP1 1 1
1 223 1 1 7 U OP2 O 4.560 5.565 -13.204 1.00 . A A . 7 U OP2 1 1
1 224 1 1 7 U P P 4.265 4.588 -12.132 1.00 . A A . 7 U P 1 1
1 225 1 1 8 A C1' C 2.590 -3.122 -11.127 1.00 . A A . 8 A C1' 1 1
1 226 1 1 8 A C2 C 2.378 0.869 -9.755 1.00 . A A . 8 A C2 1 1
1 227 1 1 8 A C2' C 2.914 -3.889 -12.384 1.00 . A A . 8 A C2' 1 1
1 228 1 1 8 A C3' C 4.309 -4.401 -12.058 1.00 . A A . 8 A C3' 1 1
1 229 1 1 8 A C4 C 1.628 -0.853 -10.828 1.00 . A A . 8 A C4 1 1
1 230 1 1 8 A C4' C 4.897 -3.370 -11.085 1.00 . A A . 8 A C4' 1 1
1 231 1 1 8 A C5 C 0.512 -0.208 -11.259 1.00 . A A . 8 A C5 1 1
1 232 1 1 8 A C5' C 6.051 -2.545 -11.660 1.00 . A A . 8 A C5' 1 1
1 233 1 1 8 A C6 C 0.375 1.127 -10.857 1.00 . A A . 8 A C6 1 1
1 234 1 1 8 A C8 C 0.407 -2.175 -12.031 1.00 . A A . 8 A C8 1 1
1 235 1 1 8 A H1' H 2.289 -3.777 -10.328 1.00 . A A . 8 A H1' 1 1
1 236 1 1 8 A H2 H 3.141 1.319 -9.152 1.00 . A A . 8 A H2 1 1
1 237 1 1 8 A H2' H 2.926 -3.233 -13.255 1.00 . A A . 8 A H2' 1 1
1 238 1 1 8 A H3' H 4.918 -4.546 -12.939 1.00 . A A . 8 A H3' 1 1
1 239 1 1 8 A H4' H 5.228 -3.865 -10.169 1.00 . A A . 8 A H4' 1 1
1 240 1 1 8 A H5' H 5.797 -1.492 -11.598 1.00 . A A . 8 A H5' 1 1
1 241 1 1 8 A H5'' H 6.952 -2.726 -11.073 1.00 . A A . 8 A H5'' 1 1
1 242 1 1 8 A H61 H -0.737 2.830 -10.811 1.00 . A A . 8 A H61 1 1
1 243 1 1 8 A H62 H -1.358 1.554 -11.834 1.00 . A A . 8 A H62 1 1
1 244 1 1 8 A H8 H 0.099 -3.069 -12.557 1.00 . A A . 8 A H8 1 1
1 245 1 1 8 A HO2' H 2.386 -5.744 -12.128 1.00 . A A . 8 A HO2' 1 1
1 246 1 1 8 A N1 N 1.350 1.644 -10.088 1.00 . A A . 8 A N1 1 1
1 247 1 1 8 A N3 N 2.611 -0.376 -10.068 1.00 . A A . 8 A N3 1 1
1 248 1 1 8 A N6 N -0.657 1.899 -11.195 1.00 . A A . 8 A N6 1 1
1 249 1 1 8 A N7 N -0.272 -1.058 -12.033 1.00 . A A . 8 A N7 1 1
1 250 1 1 8 A N9 N 1.563 -2.107 -11.317 1.00 . A A . 8 A N9 1 1
1 251 1 1 8 A O2' O 2.003 -4.978 -12.562 1.00 . A A . 8 A O2' 1 1
1 252 1 1 8 A O3' O 4.142 -5.614 -11.320 1.00 . A A . 8 A O3' 1 1
1 253 1 1 8 A O4' O 3.811 -2.497 -10.761 1.00 . A A . 8 A O4' 1 1
1 254 1 1 8 A O5' O 6.315 -2.883 -13.029 1.00 . A A . 8 A O5' 1 1
1 255 1 1 8 A OP1 O 6.325 -1.427 -15.071 1.00 . A A . 8 A OP1 1 1
1 256 1 1 8 A OP2 O 4.665 -3.364 -14.855 1.00 . A A . 8 A OP2 1 1
1 257 1 1 8 A P P 5.436 -2.264 -14.235 1.00 . A A . 8 A P 1 1
1 258 1 1 9 G C1' C 3.745 -4.903 -7.481 1.00 . A A . 9 G C1' 1 1
1 259 1 1 9 G C2 C 2.643 -0.742 -6.882 1.00 . A A . 9 G C2 1 1
1 260 1 1 9 G C2' C 3.596 -6.109 -6.569 1.00 . A A . 9 G C2' 1 1
1 261 1 1 9 G C3' C 4.760 -6.974 -7.024 1.00 . A A . 9 G C3' 1 1
1 262 1 1 9 G C4 C 2.246 -2.859 -7.458 1.00 . A A . 9 G C4 1 1
1 263 1 1 9 G C4' C 4.867 -6.699 -8.529 1.00 . A A . 9 G C4' 1 1
1 264 1 1 9 G C5 C 0.928 -2.636 -7.772 1.00 . A A . 9 G C5 1 1
1 265 1 1 9 G C5' C 4.227 -7.751 -9.441 1.00 . A A . 9 G C5' 1 1
1 266 1 1 9 G C6 C 0.386 -1.330 -7.634 1.00 . A A . 9 G C6 1 1
1 267 1 1 9 G C8 C 1.273 -4.699 -8.132 1.00 . A A . 9 G C8 1 1
1 268 1 1 9 G H1 H 1.034 0.522 -7.045 1.00 . A A . 9 G H1 1 1
1 269 1 1 9 G H1' H 4.488 -4.207 -7.096 1.00 . A A . 9 G H1' 1 1
1 270 1 1 9 G H2' H 2.643 -6.612 -6.735 1.00 . A A . 9 G H2' 1 1
1 271 1 1 9 G H21 H 3.029 1.173 -6.305 1.00 . A A . 9 G H21 1 1
1 272 1 1 9 G H22 H 4.398 0.086 -6.264 1.00 . A A . 9 G H22 1 1
1 273 1 1 9 G H3' H 4.633 -8.028 -6.778 1.00 . A A . 9 G H3' 1 1
1 274 1 1 9 G H4' H 5.912 -6.586 -8.814 1.00 . A A . 9 G H4' 1 1
1 275 1 1 9 G H5' H 4.205 -8.712 -8.930 1.00 . A A . 9 G H5' 1 1
1 276 1 1 9 G H5'' H 3.207 -7.448 -9.671 1.00 . A A . 9 G H5'' 1 1
1 277 1 1 9 G H8 H 1.140 -5.736 -8.424 1.00 . A A . 9 G H8 1 1
1 278 1 1 9 G HO2' H 3.961 -6.526 -4.705 1.00 . A A . 9 G HO2' 1 1
1 279 1 1 9 G N1 N 1.334 -0.431 -7.174 1.00 . A A . 9 G N1 1 1
1 280 1 1 9 G N2 N 3.419 0.253 -6.448 1.00 . A A . 9 G N2 1 1
1 281 1 1 9 G N3 N 3.162 -1.965 -7.009 1.00 . A A . 9 G N3 1 1
1 282 1 1 9 G N7 N 0.321 -3.812 -8.198 1.00 . A A . 9 G N7 1 1
1 283 1 1 9 G N9 N 2.468 -4.195 -7.691 1.00 . A A . 9 G N9 1 1
1 284 1 1 9 G O2' O 3.754 -5.730 -5.200 1.00 . A A . 9 G O2' 1 1
1 285 1 1 9 G O3' O 5.936 -6.431 -6.421 1.00 . A A . 9 G O3' 1 1
1 286 1 1 9 G O4' O 4.199 -5.441 -8.729 1.00 . A A . 9 G O4' 1 1
1 287 1 1 9 G O5' O 4.955 -7.896 -10.664 1.00 . A A . 9 G O5' 1 1
1 288 1 1 9 G O6 O -0.758 -0.950 -7.870 1.00 . A A . 9 G O6 1 1
1 289 1 1 9 G OP1 O 5.775 -6.830 -12.780 1.00 . A A . 9 G OP1 1 1
1 290 1 1 9 G OP2 O 3.350 -7.634 -12.569 1.00 . A A . 9 G OP2 1 1
1 291 1 1 9 G P P 4.557 -7.030 -11.962 1.00 . A A . 9 G P 1 1
1 292 1 1 10 C C1' C 6.907 -1.692 -3.857 1.00 . A A . 10 C C1' 1 1
1 293 1 1 10 C C2 C 4.670 -0.654 -3.966 1.00 . A A . 10 C C2 1 1
1 294 1 1 10 C C2' C 7.407 -1.866 -2.422 1.00 . A A . 10 C C2' 1 1
1 295 1 1 10 C C3' C 7.705 -3.355 -2.379 1.00 . A A . 10 C C3' 1 1
1 296 1 1 10 C C4 C 2.725 -1.959 -4.103 1.00 . A A . 10 C C4 1 1
1 297 1 1 10 C C4' C 8.274 -3.618 -3.761 1.00 . A A . 10 C C4' 1 1
1 298 1 1 10 C C5 C 3.499 -3.160 -4.088 1.00 . A A . 10 C C5 1 1
1 299 1 1 10 C C5' C 8.147 -5.058 -4.247 1.00 . A A . 10 C C5' 1 1
1 300 1 1 10 C C6 C 4.838 -3.046 -4.017 1.00 . A A . 10 C C6 1 1
1 301 1 1 10 C H1' H 7.231 -0.734 -4.271 1.00 . A A . 10 C H1' 1 1
1 302 1 1 10 C H2' H 6.634 -1.598 -1.702 1.00 . A A . 10 C H2' 1 1
1 303 1 1 10 C H3' H 6.833 -3.965 -2.146 1.00 . A A . 10 C H3' 1 1
1 304 1 1 10 C H4' H 9.322 -3.321 -3.805 1.00 . A A . 10 C H4' 1 1
1 305 1 1 10 C H41 H 0.871 -1.134 -4.261 1.00 . A A . 10 C H41 1 1
1 306 1 1 10 C H42 H 0.912 -2.881 -4.177 1.00 . A A . 10 C H42 1 1
1 307 1 1 10 C H5 H 3.027 -4.140 -4.107 1.00 . A A . 10 C H5 1 1
1 308 1 1 10 C H5' H 8.544 -5.128 -5.259 1.00 . A A . 10 C H5' 1 1
1 309 1 1 10 C H5'' H 8.729 -5.707 -3.592 1.00 . A A . 10 C H5'' 1 1
1 310 1 1 10 C H6 H 5.455 -3.944 -4.026 1.00 . A A . 10 C H6 1 1
1 311 1 1 10 C HO2' H 9.242 -1.693 -1.802 1.00 . A A . 10 C HO2' 1 1
1 312 1 1 10 C N1 N 5.432 -1.819 -3.955 1.00 . A A . 10 C N1 1 1
1 313 1 1 10 C N3 N 3.315 -0.761 -4.043 1.00 . A A . 10 C N3 1 1
1 314 1 1 10 C N4 N 1.396 -1.995 -4.188 1.00 . A A . 10 C N4 1 1
1 315 1 1 10 C O2 O 5.217 0.445 -3.901 1.00 . A A . 10 C O2 1 1
1 316 1 1 10 C O2' O 8.600 -1.107 -2.209 1.00 . A A . 10 C O2' 1 1
1 317 1 1 10 C O3' O 8.760 -3.556 -1.438 1.00 . A A . 10 C O3' 1 1
1 318 1 1 10 C O4' O 7.510 -2.759 -4.614 1.00 . A A . 10 C O4' 1 1
1 319 1 1 10 C O5' O 6.786 -5.498 -4.249 1.00 . A A . 10 C O5' 1 1
1 320 1 1 10 C OP1 O 7.605 -7.718 -5.068 1.00 . A A . 10 C OP1 1 1
1 321 1 1 10 C OP2 O 5.193 -7.432 -4.248 1.00 . A A . 10 C OP2 1 1
1 322 1 1 10 C P P 6.383 -6.892 -4.945 1.00 . A A . 10 C P 1 1
1 323 1 1 11 A C1' C 4.842 -0.116 -0.036 1.00 . A A . 11 A C1' 1 1
1 324 1 1 11 A C2 C 0.650 0.305 -0.971 1.00 . A A . 11 A C2 1 1
1 325 1 1 11 A C2' C 4.732 0.044 1.481 1.00 . A A . 11 A C2' 1 1
1 326 1 1 11 A C3' C 5.923 -0.755 1.990 1.00 . A A . 11 A C3' 1 1
1 327 1 1 11 A C4 C 2.536 -0.804 -0.801 1.00 . A A . 11 A C4 1 1
1 328 1 1 11 A C4' C 6.953 -0.554 0.898 1.00 . A A . 11 A C4' 1 1
1 329 1 1 11 A C5 C 1.974 -1.968 -1.236 1.00 . A A . 11 A C5 1 1
1 330 1 1 11 A C5' C 8.047 -1.614 0.829 1.00 . A A . 11 A C5' 1 1
1 331 1 1 11 A C6 C 0.606 -1.922 -1.554 1.00 . A A . 11 A C6 1 1
1 332 1 1 11 A C8 C 4.017 -2.412 -0.856 1.00 . A A . 11 A C8 1 1
1 333 1 1 11 A H1' H 4.698 0.841 -0.536 1.00 . A A . 11 A H1' 1 1
1 334 1 1 11 A H2 H 0.078 1.228 -0.872 1.00 . A A . 11 A H2 1 1
1 335 1 1 11 A H2' H 3.798 -0.382 1.841 1.00 . A A . 11 A H2' 1 1
1 336 1 1 11 A H3' H 5.693 -1.802 2.184 1.00 . A A . 11 A H3' 1 1
1 337 1 1 11 A H4' H 7.419 0.427 0.988 1.00 . A A . 11 A H4' 1 1
1 338 1 1 11 A H5' H 8.714 -1.381 0.000 1.00 . A A . 11 A H5' 1 1
1 339 1 1 11 A H5'' H 8.616 -1.597 1.759 1.00 . A A . 11 A H5'' 1 1
1 340 1 1 11 A H61 H -1.049 -2.858 -2.285 1.00 . A A . 11 A H61 1 1
1 341 1 1 11 A H62 H 0.352 -3.880 -2.050 1.00 . A A . 11 A H62 1 1
1 342 1 1 11 A H8 H 4.966 -2.938 -0.756 1.00 . A A . 11 A H8 1 1
1 343 1 1 11 A HO2' H 4.345 1.544 2.658 1.00 . A A . 11 A HO2' 1 1
1 344 1 1 11 A N1 N -0.031 -0.748 -1.406 1.00 . A A . 11 A N1 1 1
1 345 1 1 11 A N3 N 1.928 0.390 -0.640 1.00 . A A . 11 A N3 1 1
1 346 1 1 11 A N6 N -0.086 -2.972 -1.998 1.00 . A A . 11 A N6 1 1
1 347 1 1 11 A N7 N 2.920 -2.989 -1.270 1.00 . A A . 11 A N7 1 1
1 348 1 1 11 A N9 N 3.856 -1.083 -0.553 1.00 . A A . 11 A N9 1 1
1 349 1 1 11 A O2' O 4.852 1.420 1.853 1.00 . A A . 11 A O2' 1 1
1 350 1 1 11 A O3' O 6.407 -0.087 3.159 1.00 . A A . 11 A O3' 1 1
1 351 1 1 11 A O4' O 6.175 -0.588 -0.299 1.00 . A A . 11 A O4' 1 1
1 352 1 1 11 A O5' O 7.508 -2.923 0.638 1.00 . A A . 11 A O5' 1 1
1 353 1 1 11 A OP1 O 9.694 -4.133 0.815 1.00 . A A . 11 A OP1 1 1
1 354 1 1 11 A OP2 O 7.606 -5.319 -0.083 1.00 . A A . 11 A OP2 1 1
1 355 1 1 11 A P P 8.432 -4.097 0.042 1.00 . A A . 11 A P 1 1
1 356 1 1 12 C C1' C 1.021 1.956 3.865 1.00 . A A . 12 C C1' 1 1
1 357 1 1 12 C C2 C -0.513 0.446 2.665 1.00 . A A . 12 C C2 1 1
1 358 1 1 12 C C2' C 0.607 2.042 5.336 1.00 . A A . 12 C C2' 1 1
1 359 1 1 12 C C3' C 1.905 1.694 6.048 1.00 . A A . 12 C C3' 1 1
1 360 1 1 12 C C4 C 0.087 -1.773 2.189 1.00 . A A . 12 C C4 1 1
1 361 1 1 12 C C4' C 2.958 2.336 5.165 1.00 . A A . 12 C C4' 1 1
1 362 1 1 12 C C5 C 1.357 -1.592 2.821 1.00 . A A . 12 C C5 1 1
1 363 1 1 12 C C5' C 4.349 1.714 5.260 1.00 . A A . 12 C C5' 1 1
1 364 1 1 12 C C6 C 1.631 -0.384 3.349 1.00 . A A . 12 C C6 1 1
1 365 1 1 12 C H1' H 0.539 2.741 3.277 1.00 . A A . 12 C H1' 1 1
1 366 1 1 12 C H2' H -0.173 1.316 5.565 1.00 . A A . 12 C H2' 1 1
1 367 1 1 12 C H3' H 2.050 0.622 6.186 1.00 . A A . 12 C H3' 1 1
1 368 1 1 12 C H4' H 3.033 3.403 5.374 1.00 . A A . 12 C H4' 1 1
1 369 1 1 12 C H41 H -1.154 -3.047 1.197 1.00 . A A . 12 C H41 1 1
1 370 1 1 12 C H42 H 0.386 -3.722 1.681 1.00 . A A . 12 C H42 1 1
1 371 1 1 12 C H5 H 2.087 -2.400 2.876 1.00 . A A . 12 C H5 1 1
1 372 1 1 12 C H5' H 5.072 2.390 4.802 1.00 . A A . 12 C H5' 1 1
1 373 1 1 12 C H5'' H 4.607 1.579 6.311 1.00 . A A . 12 C H5'' 1 1
1 374 1 1 12 C H6 H 2.589 -0.216 3.840 1.00 . A A . 12 C H6 1 1
1 375 1 1 12 C HO2' H 0.800 3.704 6.328 1.00 . A A . 12 C HO2' 1 1
1 376 1 1 12 C N1 N 0.721 0.629 3.280 1.00 . A A . 12 C N1 1 1
1 377 1 1 12 C N3 N -0.800 -0.771 2.128 1.00 . A A . 12 C N3 1 1
1 378 1 1 12 C N4 N -0.254 -2.941 1.645 1.00 . A A . 12 C N4 1 1
1 379 1 1 12 C O2 O -1.323 1.369 2.615 1.00 . A A . 12 C O2 1 1
1 380 1 1 12 C O2' O 0.192 3.370 5.664 1.00 . A A . 12 C O2' 1 1
1 381 1 1 12 C O3' O 1.906 2.397 7.293 1.00 . A A . 12 C O3' 1 1
1 382 1 1 12 C O4' O 2.447 2.156 3.841 1.00 . A A . 12 C O4' 1 1
1 383 1 1 12 C O5' O 4.412 0.448 4.598 1.00 . A A . 12 C O5' 1 1
1 384 1 1 12 C OP1 O 6.674 0.154 5.638 1.00 . A A . 12 C OP1 1 1
1 385 1 1 12 C OP2 O 5.418 -1.846 4.644 1.00 . A A . 12 C OP2 1 1
1 386 1 1 12 C P P 5.776 -0.411 4.605 1.00 . A A . 12 C P 1 1
1 387 1 1 13 C C1' C -2.981 0.304 5.957 1.00 . A A . 13 C C1' 1 1
1 388 1 1 13 C C2 C -3.142 -1.734 4.596 1.00 . A A . 13 C C2 1 1
1 389 1 1 13 C C2' C -3.892 0.093 7.175 1.00 . A A . 13 C C2' 1 1
1 390 1 1 13 C C3' C -3.084 0.691 8.328 1.00 . A A . 13 C C3' 1 1
1 391 1 1 13 C C4 C -1.415 -3.322 4.551 1.00 . A A . 13 C C4 1 1
1 392 1 1 13 C C4' C -2.300 1.781 7.622 1.00 . A A . 13 C C4' 1 1
1 393 1 1 13 C C5 C -0.635 -2.536 5.457 1.00 . A A . 13 C C5 1 1
1 394 1 1 13 C C5' C -1.051 2.260 8.354 1.00 . A A . 13 C C5' 1 1
1 395 1 1 13 C C6 C -1.158 -1.374 5.892 1.00 . A A . 13 C C6 1 1
1 396 1 1 13 C H1' H -3.523 0.789 5.143 1.00 . A A . 13 C H1' 1 1
1 397 1 1 13 C H2' H -4.077 -0.968 7.342 1.00 . A A . 13 C H2' 1 1
1 398 1 1 13 C H3' H -2.417 -0.051 8.765 1.00 . A A . 13 C H3' 1 1
1 399 1 1 13 C H4' H -2.938 2.639 7.410 1.00 . A A . 13 C H4' 1 1
1 400 1 1 13 C H41 H -1.523 -5.017 3.429 1.00 . A A . 13 C H41 1 1
1 401 1 1 13 C H42 H -0.064 -4.834 4.375 1.00 . A A . 13 C H42 1 1
1 402 1 1 13 C H5 H 0.352 -2.860 5.789 1.00 . A A . 13 C H5 1 1
1 403 1 1 13 C H5' H -0.655 3.138 7.845 1.00 . A A . 13 C H5' 1 1
1 404 1 1 13 C H5'' H -1.319 2.531 9.375 1.00 . A A . 13 C H5'' 1 1
1 405 1 1 13 C H6 H -0.589 -0.753 6.585 1.00 . A A . 13 C H6 1 1
1 406 1 1 13 C HO2' H -5.389 1.123 7.871 1.00 . A A . 13 C HO2' 1 1
1 407 1 1 13 C HO3' H -3.854 2.206 9.274 1.00 . A A . 13 C HO3' 1 1
1 408 1 1 13 C N1 N -2.392 -0.967 5.476 1.00 . A A . 13 C N1 1 1
1 409 1 1 13 C N3 N -2.625 -2.911 4.149 1.00 . A A . 13 C N3 1 1
1 410 1 1 13 C N4 N -0.964 -4.485 4.080 1.00 . A A . 13 C N4 1 1
1 411 1 1 13 C O2 O -4.252 -1.350 4.233 1.00 . A A . 13 C O2 1 1
1 412 1 1 13 C O2' O -5.120 0.807 7.005 1.00 . A A . 13 C O2' 1 1
1 413 1 1 13 C O3' O -3.954 1.253 9.314 1.00 . A A . 13 C O3' 1 1
1 414 1 1 13 C O4' O -1.926 1.166 6.396 1.00 . A A . 13 C O4' 1 1
1 415 1 1 13 C O5' O -0.041 1.248 8.390 1.00 . A A . 13 C O5' 1 1
1 416 1 1 13 C OP1 O 1.542 2.624 9.761 1.00 . A A . 13 C OP1 1 1
1 417 1 1 13 C OP2 O 2.286 0.392 8.746 1.00 . A A . 13 C OP2 1 1
1 418 1 1 13 C P P 1.498 1.641 8.655 1.00 . A A . 13 C P 1 1
stop_
save_
Contact the webmaster for help, if required. Sunday, July 7, 2024 1:48:15 AM GMT (wattos1)