NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
36567 |
1ntq   |
5775 | cing | 2-parsed | STAR | entry | full | 270 |
data_1ntq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ntq
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_1ntq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ntq
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 1ntq "Master copy" parsed_1ntq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ntq
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 1ntq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ntq 1
1 1ntq.mr . . DISCOVER 2 distance "hydrogen bond" simple 18 parsed_1ntq 1
1 1ntq.mr . . DISCOVER 3 distance NOE simple 148 parsed_1ntq 1
1 1ntq.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 59 parsed_1ntq 1
1 1ntq.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 45 parsed_1ntq 1
1 1ntq.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ntq 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ntq
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER DNA/RNA 30-JAN-03 1NTQ
*TITLE 5'(DCCUCCUU)3':3'(RAGGAGGAAA)5'
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: 5'-R(*AP*AP*AP*GP*GP*AP*GP*GP*A)-3';
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 MOL_ID: 2;
*COMPND 6 MOLECULE: 5'-D(*CP*CP*UP*CP*CP*UP*U)-3';
*COMPND 7 CHAIN: B;
*COMPND 8 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 MOL_ID: 2;
*SOURCE 4 SYNTHETIC: YES
*KEYWDS DNA, RNA, HYBRID, PROPYNYL
*EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE
*AUTHOR B.M.ZNOSKO, T.W.BARNES III, T.R.KRUGH, D.H.TURNER
*REVDAT 1 10-JUN-03 1NTQ 0
;
save_
save_Discover_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ntq
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
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 . . . parsed_1ntq 1
2 1 . . . parsed_1ntq 1
3 1 . . . parsed_1ntq 1
4 1 . . . parsed_1ntq 1
5 1 . . . parsed_1ntq 1
6 1 . . . parsed_1ntq 1
7 1 . . . parsed_1ntq 1
8 1 . . . parsed_1ntq 1
9 1 . . . parsed_1ntq 1
10 1 . . . parsed_1ntq 1
11 1 . . . parsed_1ntq 1
12 1 . . . parsed_1ntq 1
13 1 . . . parsed_1ntq 1
14 1 . . . parsed_1ntq 1
15 1 . . . parsed_1ntq 1
16 1 . . . parsed_1ntq 1
17 1 . . . parsed_1ntq 1
18 1 . . . parsed_1ntq 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.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_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 3 A N1 parsed_1ntq 1
1 1 2 . . . . . . . . B 7 U3' H3 parsed_1ntq 1
2 1 1 . . . . . . . . 1 3 A H61 parsed_1ntq 1
2 1 2 . . . . . . . . B 7 U3' O4 parsed_1ntq 1
3 1 1 . . . . . . . . 1 4 A N1 parsed_1ntq 1
3 1 2 . . . . . . . . B 6 U H3 parsed_1ntq 1
4 1 1 . . . . . . . . 1 4 A H61 parsed_1ntq 1
4 1 2 . . . . . . . . B 6 U O4 parsed_1ntq 1
5 1 1 . . . . . . . . 1 5 G H1 parsed_1ntq 1
5 1 2 . . . . . . . . B 5 C N3 parsed_1ntq 1
6 1 1 . . . . . . . . 1 5 G O6 parsed_1ntq 1
6 1 2 . . . . . . . . B 5 C H42 parsed_1ntq 1
7 1 1 . . . . . . . . 1 5 G H22 parsed_1ntq 1
7 1 2 . . . . . . . . B 5 C O2 parsed_1ntq 1
8 1 1 . . . . . . . . 1 6 G H1 parsed_1ntq 1
8 1 2 . . . . . . . . B 4 C N3 parsed_1ntq 1
9 1 1 . . . . . . . . 1 6 G O6 parsed_1ntq 1
9 1 2 . . . . . . . . B 4 C H42 parsed_1ntq 1
10 1 1 . . . . . . . . 1 6 G H22 parsed_1ntq 1
10 1 2 . . . . . . . . B 4 C O2 parsed_1ntq 1
11 1 1 . . . . . . . . 1 7 A N1 parsed_1ntq 1
11 1 2 . . . . . . . . B 3 U H3 parsed_1ntq 1
12 1 1 . . . . . . . . 1 7 A H61 parsed_1ntq 1
12 1 2 . . . . . . . . B 3 U O4 parsed_1ntq 1
13 1 1 . . . . . . . . 1 8 G H1 parsed_1ntq 1
13 1 2 . . . . . . . . B 2 C N3 parsed_1ntq 1
14 1 1 . . . . . . . . 1 8 G O6 parsed_1ntq 1
14 1 2 . . . . . . . . B 2 C H42 parsed_1ntq 1
15 1 1 . . . . . . . . 1 8 G H22 parsed_1ntq 1
15 1 2 . . . . . . . . B 2 C O2 parsed_1ntq 1
16 1 1 . . . . . . . . 1 9 G H1 parsed_1ntq 1
16 1 2 . . . . . . . . B 1 C5' N3 parsed_1ntq 1
17 1 1 . . . . . . . . 1 9 G O6 parsed_1ntq 1
17 1 2 . . . . . . . . B 1 C5' H42 parsed_1ntq 1
18 1 1 . . . . . . . . 1 9 G H22 parsed_1ntq 1
18 1 2 . . . . . . . . B 1 C5' O2 parsed_1ntq 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 . . . . . . 1.800 2.500 parsed_1ntq 1
2 1 . . . . . . 1.800 2.500 parsed_1ntq 1
3 1 . . . . . . 1.800 2.500 parsed_1ntq 1
4 1 . . . . . . 1.800 2.500 parsed_1ntq 1
5 1 . . . . . . 1.800 2.500 parsed_1ntq 1
6 1 . . . . . . 1.800 2.500 parsed_1ntq 1
7 1 . . . . . . 1.800 2.500 parsed_1ntq 1
8 1 . . . . . . 1.800 2.500 parsed_1ntq 1
9 1 . . . . . . 1.800 2.500 parsed_1ntq 1
10 1 . . . . . . 1.800 2.500 parsed_1ntq 1
11 1 . . . . . . 1.800 2.500 parsed_1ntq 1
12 1 . . . . . . 1.800 2.500 parsed_1ntq 1
13 1 . . . . . . 1.800 2.500 parsed_1ntq 1
14 1 . . . . . . 1.800 2.500 parsed_1ntq 1
15 1 . . . . . . 1.800 2.500 parsed_1ntq 1
16 1 . . . . . . 1.800 2.500 parsed_1ntq 1
17 1 . . . . . . 1.800 2.500 parsed_1ntq 1
18 1 . . . . . . 1.800 2.500 parsed_1ntq 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
BIOSYM restraint 1
See Table S2 of Supporting Information for an Experimental Distance Restraint table for ODN:RNA, PrODN:RNA, and sPrODN1:RNA.
#distance
Hydrogen bonding distances (based on Theoretical numbers and observed NOEs between
exchangeable protons on 1D and 2D NOESY spectra
;
1 1 9 1 parsed_1ntq 1
2 Hbond 10 90 10 95 parsed_1ntq 1
3 Hbond 11 90 11 95 parsed_1ntq 1
4 Hbond 12 90 12 95 parsed_1ntq 1
5 Hbond 13 90 13 95 parsed_1ntq 1
6 Hbond 14 90 14 95 parsed_1ntq 1
7 Hbond 15 90 15 95 parsed_1ntq 1
8 Hbond 16 90 16 95 parsed_1ntq 1
9 Hbond 17 90 17 95 parsed_1ntq 1
10 Hbond 18 90 18 95 parsed_1ntq 1
11 Hbond 19 90 19 95 parsed_1ntq 1
12 Hbond 20 90 20 95 parsed_1ntq 1
13 Hbond 21 90 21 95 parsed_1ntq 1
14 Hbond 22 90 22 95 parsed_1ntq 1
15 Hbond 23 90 23 95 parsed_1ntq 1
16 Hbond 24 90 24 95 parsed_1ntq 1
17 Hbond 25 90 25 95 parsed_1ntq 1
18 Hbond 26 90 26 95 parsed_1ntq 1
stop_
save_
save_Discover_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ntq
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
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 . . . parsed_1ntq 2
2 1 . . . parsed_1ntq 2
3 1 . . . parsed_1ntq 2
4 1 . . . parsed_1ntq 2
5 1 . . . parsed_1ntq 2
6 1 . . . parsed_1ntq 2
7 1 . . . parsed_1ntq 2
8 1 . . . parsed_1ntq 2
9 1 . . . parsed_1ntq 2
10 1 . . . parsed_1ntq 2
11 1 . . . parsed_1ntq 2
12 1 . . . parsed_1ntq 2
13 1 . . . parsed_1ntq 2
14 1 . . . parsed_1ntq 2
15 1 . . . parsed_1ntq 2
16 1 . . . parsed_1ntq 2
17 1 . . . parsed_1ntq 2
18 1 . . . parsed_1ntq 2
19 1 . . . parsed_1ntq 2
20 1 . . . parsed_1ntq 2
21 1 . . . parsed_1ntq 2
22 1 . . . parsed_1ntq 2
23 1 . . . parsed_1ntq 2
24 1 . . . parsed_1ntq 2
25 1 . . . parsed_1ntq 2
26 1 . . . parsed_1ntq 2
27 1 . . . parsed_1ntq 2
28 1 . . . parsed_1ntq 2
29 1 . . . parsed_1ntq 2
30 1 . . . parsed_1ntq 2
31 1 . . . parsed_1ntq 2
32 1 . . . parsed_1ntq 2
33 1 . . . parsed_1ntq 2
34 1 . . . parsed_1ntq 2
35 1 . . . parsed_1ntq 2
36 1 . . . parsed_1ntq 2
37 1 . . . parsed_1ntq 2
38 1 . . . parsed_1ntq 2
39 1 . . . parsed_1ntq 2
40 1 . . . parsed_1ntq 2
41 1 . . . parsed_1ntq 2
42 1 . . . parsed_1ntq 2
43 1 . . . parsed_1ntq 2
44 1 . . . parsed_1ntq 2
45 1 . . . parsed_1ntq 2
46 1 . . . parsed_1ntq 2
47 1 . . . parsed_1ntq 2
48 1 . . . parsed_1ntq 2
49 1 . . . parsed_1ntq 2
50 1 . . . parsed_1ntq 2
51 1 . . . parsed_1ntq 2
52 1 . . . parsed_1ntq 2
53 1 . . . parsed_1ntq 2
54 1 . . . parsed_1ntq 2
55 1 . . . parsed_1ntq 2
56 1 . . . parsed_1ntq 2
57 1 . . . parsed_1ntq 2
58 1 . . . parsed_1ntq 2
59 1 . . . parsed_1ntq 2
60 1 . . . parsed_1ntq 2
61 1 . . . parsed_1ntq 2
62 1 . . . parsed_1ntq 2
63 1 . . . parsed_1ntq 2
64 1 . . . parsed_1ntq 2
65 1 . . . parsed_1ntq 2
66 1 . . . parsed_1ntq 2
67 1 . . . parsed_1ntq 2
68 1 . . . parsed_1ntq 2
69 1 . . . parsed_1ntq 2
70 1 . . . parsed_1ntq 2
71 1 . . . parsed_1ntq 2
72 1 . . . parsed_1ntq 2
73 1 . . . parsed_1ntq 2
74 1 . . . parsed_1ntq 2
75 1 . . . parsed_1ntq 2
76 1 . . . parsed_1ntq 2
77 1 . . . parsed_1ntq 2
78 1 . . . parsed_1ntq 2
79 1 . . . parsed_1ntq 2
80 1 . . . parsed_1ntq 2
81 1 . . . parsed_1ntq 2
82 1 . . . parsed_1ntq 2
83 1 . . . parsed_1ntq 2
84 1 . . . parsed_1ntq 2
85 1 . . . parsed_1ntq 2
86 1 . . . parsed_1ntq 2
87 1 . . . parsed_1ntq 2
88 1 . . . parsed_1ntq 2
89 1 . . . parsed_1ntq 2
90 1 . . . parsed_1ntq 2
91 1 . . . parsed_1ntq 2
92 1 . . . parsed_1ntq 2
93 1 . . . parsed_1ntq 2
94 1 . . . parsed_1ntq 2
95 1 . . . parsed_1ntq 2
96 1 . . . parsed_1ntq 2
97 1 . . . parsed_1ntq 2
98 1 . . . parsed_1ntq 2
99 1 . . . parsed_1ntq 2
100 1 . . . parsed_1ntq 2
101 1 . . . parsed_1ntq 2
102 1 . . . parsed_1ntq 2
103 1 . . . parsed_1ntq 2
104 1 . . . parsed_1ntq 2
105 1 . . . parsed_1ntq 2
106 1 . . . parsed_1ntq 2
107 1 . . . parsed_1ntq 2
108 1 . . . parsed_1ntq 2
109 1 . . . parsed_1ntq 2
110 1 . . . parsed_1ntq 2
111 1 . . . parsed_1ntq 2
112 1 . . . parsed_1ntq 2
113 1 . . . parsed_1ntq 2
114 1 . . . parsed_1ntq 2
115 1 . . . parsed_1ntq 2
116 1 . . . parsed_1ntq 2
117 1 . . . parsed_1ntq 2
118 1 . . . parsed_1ntq 2
119 1 . . . parsed_1ntq 2
120 1 . . . parsed_1ntq 2
121 1 . . . parsed_1ntq 2
122 1 . . . parsed_1ntq 2
123 1 . . . parsed_1ntq 2
124 1 . . . parsed_1ntq 2
125 1 . . . parsed_1ntq 2
126 1 . . . parsed_1ntq 2
127 1 . . . parsed_1ntq 2
128 1 . . . parsed_1ntq 2
129 1 . . . parsed_1ntq 2
130 1 . . . parsed_1ntq 2
131 1 . . . parsed_1ntq 2
132 1 . . . parsed_1ntq 2
133 1 . . . parsed_1ntq 2
134 1 . . . parsed_1ntq 2
135 1 . . . parsed_1ntq 2
136 1 . . . parsed_1ntq 2
137 1 . . . parsed_1ntq 2
138 1 . . . parsed_1ntq 2
139 1 . . . parsed_1ntq 2
140 1 . . . parsed_1ntq 2
141 1 . . . parsed_1ntq 2
142 1 . . . parsed_1ntq 2
143 1 . . . parsed_1ntq 2
144 1 . . . parsed_1ntq 2
145 1 . . . parsed_1ntq 2
146 1 . . . parsed_1ntq 2
147 1 . . . parsed_1ntq 2
148 1 . . . parsed_1ntq 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.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_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 . . . . . . . . B 1 C5' H6 parsed_1ntq 2
1 1 2 . . . . . . . . B 1 C5' H5 parsed_1ntq 2
2 1 1 . . . . . . . . 1 1 U5' H6 parsed_1ntq 2
2 1 2 . . . . . . . . 1 1 U5' H5 parsed_1ntq 2
3 1 1 . . . . . . . . B 1 C5' H6 parsed_1ntq 2
3 1 2 . . . . . . . . B 1 C5' H1' parsed_1ntq 2
4 1 1 . . . . . . . . B 1 C5' H3' parsed_1ntq 2
4 1 2 . . . . . . . . B 1 C5' H6 parsed_1ntq 2
5 1 1 . . . . . . . . B 1 C5' H3' parsed_1ntq 2
5 1 2 . . . . . . . . B 1 C5' H2'1 parsed_1ntq 2
6 1 1 . . . . . . . . B 1 C5' H4' parsed_1ntq 2
6 1 2 . . . . . . . . B 1 C5' H1' parsed_1ntq 2
7 1 1 . . . . . . . . 1 2 A H2 parsed_1ntq 2
7 1 2 . . . . . . . . 1 3 A H1' parsed_1ntq 2
8 1 1 . . . . . . . . B 2 C H6 parsed_1ntq 2
8 1 2 . . . . . . . . B 1 C5' H2'1 parsed_1ntq 2
9 1 1 . . . . . . . . B 2 C H6 parsed_1ntq 2
9 1 2 . . . . . . . . B 1 C5' H3' parsed_1ntq 2
10 1 1 . . . . . . . . B 2 C H6 parsed_1ntq 2
10 1 2 . . . . . . . . B 2 C H5 parsed_1ntq 2
11 1 1 . . . . . . . . B 2 C H6 parsed_1ntq 2
11 1 2 . . . . . . . . B 2 C H1' parsed_1ntq 2
12 1 1 . . . . . . . . B 2 C H6 parsed_1ntq 2
12 1 2 . . . . . . . . B 2 C H4' parsed_1ntq 2
13 1 1 . . . . . . . . 1 2 A H8 parsed_1ntq 2
13 1 2 . . . . . . . . 1 2 A H1' parsed_1ntq 2
14 1 1 . . . . . . . . B 2 C H1' parsed_1ntq 2
14 1 2 . . . . . . . . B 2 C H2'1 parsed_1ntq 2
15 1 1 . . . . . . . . 1 2 A H1' parsed_1ntq 2
15 1 2 . . . . . . . . 1 2 A H2' parsed_1ntq 2
16 1 1 . . . . . . . . B 2 C H1' parsed_1ntq 2
16 1 2 . . . . . . . . B 2 C H4' parsed_1ntq 2
17 1 1 . . . . . . . . 1 2 A H1' parsed_1ntq 2
17 1 2 . . . . . . . . 1 2 A H4' parsed_1ntq 2
18 1 1 . . . . . . . . B 2 C H3' parsed_1ntq 2
18 1 2 . . . . . . . . B 2 C H6 parsed_1ntq 2
19 1 1 . . . . . . . . B 2 C H3' parsed_1ntq 2
19 1 2 . . . . . . . . B 2 C H2'1 parsed_1ntq 2
20 1 1 . . . . . . . . B 3 U H5 parsed_1ntq 2
20 1 2 . . . . . . . . B 2 C H3' parsed_1ntq 2
21 1 1 . . . . . . . . B 3 U H5 parsed_1ntq 2
21 1 2 . . . . . . . . B 2 C H2'1 parsed_1ntq 2
22 1 1 . . . . . . . . B 3 U H6 parsed_1ntq 2
22 1 2 . . . . . . . . B 2 C H1' parsed_1ntq 2
23 1 1 . . . . . . . . B 3 U H6 parsed_1ntq 2
23 1 2 . . . . . . . . B 2 C H2'2 parsed_1ntq 2
24 1 1 . . . . . . . . B 3 U H6 parsed_1ntq 2
24 1 2 . . . . . . . . B 2 C H3' parsed_1ntq 2
25 1 1 . . . . . . . . B 3 U H6 parsed_1ntq 2
25 1 2 . . . . . . . . B 3 U H5 parsed_1ntq 2
26 1 1 . . . . . . . . B 3 U H6 parsed_1ntq 2
26 1 2 . . . . . . . . B 2 C H2'1 parsed_1ntq 2
27 1 1 . . . . . . . . B 3 U H6 parsed_1ntq 2
27 1 2 . . . . . . . . B 3 U H3' parsed_1ntq 2
28 1 1 . . . . . . . . 1 3 A H8 parsed_1ntq 2
28 1 2 . . . . . . . . 1 2 A H2' parsed_1ntq 2
29 1 1 . . . . . . . . 1 3 A H8 parsed_1ntq 2
29 1 2 . . . . . . . . 1 3 A H1' parsed_1ntq 2
30 1 1 . . . . . . . . B 3 U H1' parsed_1ntq 2
30 1 2 . . . . . . . . B 3 U H6 parsed_1ntq 2
31 1 1 . . . . . . . . B 3 U H1' parsed_1ntq 2
31 1 2 . . . . . . . . B 3 U H2'1 parsed_1ntq 2
32 1 1 . . . . . . . . B 3 U H1' parsed_1ntq 2
32 1 2 . . . . . . . . B 3 U H2'2 parsed_1ntq 2
33 1 1 . . . . . . . . B 3 U H1' parsed_1ntq 2
33 1 2 . . . . . . . . B 3 U H3' parsed_1ntq 2
34 1 1 . . . . . . . . B 3 U H1' parsed_1ntq 2
34 1 2 . . . . . . . . B 3 U H4' parsed_1ntq 2
35 1 1 . . . . . . . . B 3 U H1' parsed_1ntq 2
35 1 2 . . . . . . . . B 4 C H6 parsed_1ntq 2
36 1 1 . . . . . . . . 1 3 A H3' parsed_1ntq 2
36 1 2 . . . . . . . . 1 3 A H8 parsed_1ntq 2
37 1 1 . . . . . . . . B 3 U H3' parsed_1ntq 2
37 1 2 . . . . . . . . B 3 U H2'1 parsed_1ntq 2
38 1 1 . . . . . . . . B 4 C H5 parsed_1ntq 2
38 1 2 . . . . . . . . B 3 U H2'1 parsed_1ntq 2
39 1 1 . . . . . . . . B 4 C H6 parsed_1ntq 2
39 1 2 . . . . . . . . B 3 U H2'1 parsed_1ntq 2
40 1 1 . . . . . . . . B 4 C H6 parsed_1ntq 2
40 1 2 . . . . . . . . B 3 U H2'2 parsed_1ntq 2
41 1 1 . . . . . . . . B 4 C H6 parsed_1ntq 2
41 1 2 . . . . . . . . B 4 C H5 parsed_1ntq 2
42 1 1 . . . . . . . . B 4 C H6 parsed_1ntq 2
42 1 2 . . . . . . . . B 4 C H2'1 parsed_1ntq 2
43 1 1 . . . . . . . . B 4 C H6 parsed_1ntq 2
43 1 2 . . . . . . . . B 4 C H3' parsed_1ntq 2
44 1 1 . . . . . . . . B 4 C H6 parsed_1ntq 2
44 1 2 . . . . . . . . B 5 C H5 parsed_1ntq 2
45 1 1 . . . . . . . . 1 4 A H8 parsed_1ntq 2
45 1 2 . . . . . . . . 1 3 A H1' parsed_1ntq 2
46 1 1 . . . . . . . . 1 4 A H8 parsed_1ntq 2
46 1 2 . . . . . . . . 1 4 A H1' parsed_1ntq 2
47 1 1 . . . . . . . . 1 4 A H8 parsed_1ntq 2
47 1 2 . . . . . . . . 1 4 A H2' parsed_1ntq 2
48 1 1 . . . . . . . . 1 4 A H8 parsed_1ntq 2
48 1 2 . . . . . . . . 1 4 A H3' parsed_1ntq 2
49 1 1 . . . . . . . . 1 4 A H1' parsed_1ntq 2
49 1 2 . . . . . . . . 1 3 A H2 parsed_1ntq 2
50 1 1 . . . . . . . . B 4 C H1' parsed_1ntq 2
50 1 2 . . . . . . . . B 4 C H6 parsed_1ntq 2
51 1 1 . . . . . . . . B 4 C H1' parsed_1ntq 2
51 1 2 . . . . . . . . B 4 C H2'1 parsed_1ntq 2
52 1 1 . . . . . . . . 1 4 A H1' parsed_1ntq 2
52 1 2 . . . . . . . . 1 4 A H2' parsed_1ntq 2
53 1 1 . . . . . . . . B 4 C H1' parsed_1ntq 2
53 1 2 . . . . . . . . B 4 C H2'2 parsed_1ntq 2
54 1 1 . . . . . . . . B 4 C H1' parsed_1ntq 2
54 1 2 . . . . . . . . B 4 C H3' parsed_1ntq 2
55 1 1 . . . . . . . . B 4 C H1' parsed_1ntq 2
55 1 2 . . . . . . . . B 4 C H4' parsed_1ntq 2
56 1 1 . . . . . . . . 1 4 A H1' parsed_1ntq 2
56 1 2 . . . . . . . . 1 4 A H4' parsed_1ntq 2
57 1 1 . . . . . . . . B 4 C H3' parsed_1ntq 2
57 1 2 . . . . . . . . B 4 C H2'1 parsed_1ntq 2
58 1 1 . . . . . . . . B 5 C H6 parsed_1ntq 2
58 1 2 . . . . . . . . B 4 C H1' parsed_1ntq 2
59 1 1 . . . . . . . . B 5 C H6 parsed_1ntq 2
59 1 2 . . . . . . . . B 4 C H2'2 parsed_1ntq 2
60 1 1 . . . . . . . . B 5 C H6 parsed_1ntq 2
60 1 2 . . . . . . . . B 4 C H2'1 parsed_1ntq 2
61 1 1 . . . . . . . . B 5 C H6 parsed_1ntq 2
61 1 2 . . . . . . . . B 4 C H3' parsed_1ntq 2
62 1 1 . . . . . . . . B 5 C H6 parsed_1ntq 2
62 1 2 . . . . . . . . B 5 C H5 parsed_1ntq 2
63 1 1 . . . . . . . . B 5 C H6 parsed_1ntq 2
63 1 2 . . . . . . . . B 5 C H2'1 parsed_1ntq 2
64 1 1 . . . . . . . . B 5 C H6 parsed_1ntq 2
64 1 2 . . . . . . . . B 6 U H5 parsed_1ntq 2
65 1 1 . . . . . . . . 1 5 G H8 parsed_1ntq 2
65 1 2 . . . . . . . . 1 4 A H1' parsed_1ntq 2
66 1 1 . . . . . . . . 1 5 G H8 parsed_1ntq 2
66 1 2 . . . . . . . . 1 4 A H2' parsed_1ntq 2
67 1 1 . . . . . . . . 1 5 G H8 parsed_1ntq 2
67 1 2 . . . . . . . . 1 5 G H1' parsed_1ntq 2
68 1 1 . . . . . . . . 1 5 G H8 parsed_1ntq 2
68 1 2 . . . . . . . . 1 5 G H2' parsed_1ntq 2
69 1 1 . . . . . . . . 1 5 G H8 parsed_1ntq 2
69 1 2 . . . . . . . . 1 5 G H3' parsed_1ntq 2
70 1 1 . . . . . . . . 1 5 G H1' parsed_1ntq 2
70 1 2 . . . . . . . . 1 4 A H2 parsed_1ntq 2
71 1 1 . . . . . . . . 1 5 G H1' parsed_1ntq 2
71 1 2 . . . . . . . . 1 4 A H2' parsed_1ntq 2
72 1 1 . . . . . . . . B 5 C H1' parsed_1ntq 2
72 1 2 . . . . . . . . B 5 C H6 parsed_1ntq 2
73 1 1 . . . . . . . . B 5 C H1' parsed_1ntq 2
73 1 2 . . . . . . . . B 5 C H2'1 parsed_1ntq 2
74 1 1 . . . . . . . . B 5 C H1' parsed_1ntq 2
74 1 2 . . . . . . . . B 5 C H2'2 parsed_1ntq 2
75 1 1 . . . . . . . . 1 5 G H1' parsed_1ntq 2
75 1 2 . . . . . . . . 1 5 G H2' parsed_1ntq 2
76 1 1 . . . . . . . . 1 5 G H1' parsed_1ntq 2
76 1 2 . . . . . . . . 1 5 G H3' parsed_1ntq 2
77 1 1 . . . . . . . . B 5 C H1' parsed_1ntq 2
77 1 2 . . . . . . . . B 5 C H3' parsed_1ntq 2
78 1 1 . . . . . . . . B 5 C H1' parsed_1ntq 2
78 1 2 . . . . . . . . B 5 C H4' parsed_1ntq 2
79 1 1 . . . . . . . . B 5 C H1' parsed_1ntq 2
79 1 2 . . . . . . . . B 6 U H6 parsed_1ntq 2
80 1 1 . . . . . . . . 1 5 G H1' parsed_1ntq 2
80 1 2 . . . . . . . . 1 6 G H8 parsed_1ntq 2
81 1 1 . . . . . . . . B 5 C H3' parsed_1ntq 2
81 1 2 . . . . . . . . B 5 C H6 parsed_1ntq 2
82 1 1 . . . . . . . . B 5 C H3' parsed_1ntq 2
82 1 2 . . . . . . . . B 5 C H2'1 parsed_1ntq 2
83 1 1 . . . . . . . . B 6 U H6 parsed_1ntq 2
83 1 2 . . . . . . . . B 5 C H2'2 parsed_1ntq 2
84 1 1 . . . . . . . . B 6 U H6 parsed_1ntq 2
84 1 2 . . . . . . . . B 6 U H5 parsed_1ntq 2
85 1 1 . . . . . . . . B 6 U H6 parsed_1ntq 2
85 1 2 . . . . . . . . B 6 U H1' parsed_1ntq 2
86 1 1 . . . . . . . . B 6 U H6 parsed_1ntq 2
86 1 2 . . . . . . . . B 6 U H2'1 parsed_1ntq 2
87 1 1 . . . . . . . . B 6 U H6 parsed_1ntq 2
87 1 2 . . . . . . . . B 6 U H3' parsed_1ntq 2
88 1 1 . . . . . . . . 1 6 G H8 parsed_1ntq 2
88 1 2 . . . . . . . . 1 5 G H2' parsed_1ntq 2
89 1 1 . . . . . . . . 1 6 G H8 parsed_1ntq 2
89 1 2 . . . . . . . . 1 6 G H1' parsed_1ntq 2
90 1 1 . . . . . . . . B 6 U H1' parsed_1ntq 2
90 1 2 . . . . . . . . B 6 U H2'2 parsed_1ntq 2
91 1 1 . . . . . . . . B 6 U H1' parsed_1ntq 2
91 1 2 . . . . . . . . B 6 U H2'1 parsed_1ntq 2
92 1 1 . . . . . . . . B 6 U H1' parsed_1ntq 2
92 1 2 . . . . . . . . B 6 U H3' parsed_1ntq 2
93 1 1 . . . . . . . . B 6 U H1' parsed_1ntq 2
93 1 2 . . . . . . . . B 6 U H4' parsed_1ntq 2
94 1 1 . . . . . . . . B 6 U H1' parsed_1ntq 2
94 1 2 . . . . . . . . B 7 U3' H6 parsed_1ntq 2
95 1 1 . . . . . . . . 1 6 G H2' parsed_1ntq 2
95 1 2 . . . . . . . . 1 6 G H1' parsed_1ntq 2
96 1 1 . . . . . . . . 1 6 G H3' parsed_1ntq 2
96 1 2 . . . . . . . . 1 6 G H8 parsed_1ntq 2
97 1 1 . . . . . . . . B 6 U H3' parsed_1ntq 2
97 1 2 . . . . . . . . B 6 U H2'2 parsed_1ntq 2
98 1 1 . . . . . . . . B 6 U H3' parsed_1ntq 2
98 1 2 . . . . . . . . B 6 U H2'1 parsed_1ntq 2
99 1 1 . . . . . . . . 1 7 A H2 parsed_1ntq 2
99 1 2 . . . . . . . . B 4 C H1' parsed_1ntq 2
100 1 1 . . . . . . . . 1 7 A H2 parsed_1ntq 2
100 1 2 . . . . . . . . 1 7 A H1' parsed_1ntq 2
101 1 1 . . . . . . . . 1 7 A H2 parsed_1ntq 2
101 1 2 . . . . . . . . 1 8 G H1' parsed_1ntq 2
102 1 1 . . . . . . . . B 7 U3' H6 parsed_1ntq 2
102 1 2 . . . . . . . . B 6 U H2'2 parsed_1ntq 2
103 1 1 . . . . . . . . B 7 U3' H6 parsed_1ntq 2
103 1 2 . . . . . . . . B 6 U H2'1 parsed_1ntq 2
104 1 1 . . . . . . . . B 7 U3' H6 parsed_1ntq 2
104 1 2 . . . . . . . . B 7 U3' H5 parsed_1ntq 2
105 1 1 . . . . . . . . B 7 U3' H6 parsed_1ntq 2
105 1 2 . . . . . . . . B 7 U3' H2'1 parsed_1ntq 2
106 1 1 . . . . . . . . 1 7 A H8 parsed_1ntq 2
106 1 2 . . . . . . . . 1 6 G H1' parsed_1ntq 2
107 1 1 . . . . . . . . 1 7 A H8 parsed_1ntq 2
107 1 2 . . . . . . . . 1 6 G H3' parsed_1ntq 2
108 1 1 . . . . . . . . 1 7 A H8 parsed_1ntq 2
108 1 2 . . . . . . . . 1 7 A H1' parsed_1ntq 2
109 1 1 . . . . . . . . 1 7 A H8 parsed_1ntq 2
109 1 2 . . . . . . . . 1 6 G H2' parsed_1ntq 2
110 1 1 . . . . . . . . B 7 U3' H1' parsed_1ntq 2
110 1 2 . . . . . . . . B 7 U3' H6 parsed_1ntq 2
111 1 1 . . . . . . . . B 7 U3' H1' parsed_1ntq 2
111 1 2 . . . . . . . . B 7 U3' H2'1 parsed_1ntq 2
112 1 1 . . . . . . . . B 7 U3' H1' parsed_1ntq 2
112 1 2 . . . . . . . . B 7 U3' H3' parsed_1ntq 2
113 1 1 . . . . . . . . B 7 U3' H1' parsed_1ntq 2
113 1 2 . . . . . . . . B 7 U3' H4' parsed_1ntq 2
114 1 1 . . . . . . . . 1 7 A H1' parsed_1ntq 2
114 1 2 . . . . . . . . 1 8 G H8 parsed_1ntq 2
115 1 1 . . . . . . . . 1 7 A H2' parsed_1ntq 2
115 1 2 . . . . . . . . 1 7 A H8 parsed_1ntq 2
116 1 1 . . . . . . . . 1 7 A H2' parsed_1ntq 2
116 1 2 . . . . . . . . 1 7 A H1' parsed_1ntq 2
117 1 1 . . . . . . . . 1 7 A H2' parsed_1ntq 2
117 1 2 . . . . . . . . 1 8 G H8 parsed_1ntq 2
118 1 1 . . . . . . . . 1 7 A H3' parsed_1ntq 2
118 1 2 . . . . . . . . 1 7 A H8 parsed_1ntq 2
119 1 1 . . . . . . . . 1 7 A H3' parsed_1ntq 2
119 1 2 . . . . . . . . 1 8 G H8 parsed_1ntq 2
120 1 1 . . . . . . . . B 7 U3' H4' parsed_1ntq 2
120 1 2 . . . . . . . . B 7 U3' H2'1 parsed_1ntq 2
121 1 1 . . . . . . . . 1 8 G H8 parsed_1ntq 2
121 1 2 . . . . . . . . 1 8 G H1' parsed_1ntq 2
122 1 1 . . . . . . . . 1 8 G H1' parsed_1ntq 2
122 1 2 . . . . . . . . 1 9 G H8 parsed_1ntq 2
123 1 1 . . . . . . . . 1 8 G H2' parsed_1ntq 2
123 1 2 . . . . . . . . 1 8 G H8 parsed_1ntq 2
124 1 1 . . . . . . . . 1 8 G H2' parsed_1ntq 2
124 1 2 . . . . . . . . 1 8 G H1' parsed_1ntq 2
125 1 1 . . . . . . . . 1 8 G H3' parsed_1ntq 2
125 1 2 . . . . . . . . 1 8 G H8 parsed_1ntq 2
126 1 1 . . . . . . . . 1 9 G H8 parsed_1ntq 2
126 1 2 . . . . . . . . 1 8 G H2' parsed_1ntq 2
127 1 1 . . . . . . . . 1 9 G H8 parsed_1ntq 2
127 1 2 . . . . . . . . 1 9 G H1' parsed_1ntq 2
128 1 1 . . . . . . . . 1 9 G H1' parsed_1ntq 2
128 1 2 . . . . . . . . 1 9 G H4' parsed_1ntq 2
129 1 1 . . . . . . . . 1 9 G H2' parsed_1ntq 2
129 1 2 . . . . . . . . 1 9 G H1' parsed_1ntq 2
130 1 1 . . . . . . . . 1 9 G H3' parsed_1ntq 2
130 1 2 . . . . . . . . 1 9 G H8 parsed_1ntq 2
131 1 1 . . . . . . . . 1 10 A H8 parsed_1ntq 2
131 1 2 . . . . . . . . 1 9 G H2' parsed_1ntq 2
132 1 1 . . . . . . . . 1 10 A H8 parsed_1ntq 2
132 1 2 . . . . . . . . 1 10 A H1' parsed_1ntq 2
133 1 1 . . . . . . . . 1 10 A H8 parsed_1ntq 2
133 1 2 . . . . . . . . 1 10 A H3' parsed_1ntq 2
134 1 1 . . . . . . . . 1 10 A H1' parsed_1ntq 2
134 1 2 . . . . . . . . 1 9 G H2' parsed_1ntq 2
135 1 1 . . . . . . . . 1 10 A H1' parsed_1ntq 2
135 1 2 . . . . . . . . 1 10 A H3' parsed_1ntq 2
136 1 1 . . . . . . . . 1 10 A H1' parsed_1ntq 2
136 1 2 . . . . . . . . 1 11 G3' H8 parsed_1ntq 2
137 1 1 . . . . . . . . 1 10 A H2' parsed_1ntq 2
137 1 2 . . . . . . . . 1 10 A H1' parsed_1ntq 2
138 1 1 . . . . . . . . 1 11 G3' H8 parsed_1ntq 2
138 1 2 . . . . . . . . 1 10 A H2' parsed_1ntq 2
139 1 1 . . . . . . . . 1 11 G3' H8 parsed_1ntq 2
139 1 2 . . . . . . . . 1 11 G3' H1' parsed_1ntq 2
140 1 1 . . . . . . . . 1 11 G3' H8 parsed_1ntq 2
140 1 2 . . . . . . . . 1 11 G5' H3' parsed_1ntq 2
141 1 1 . . . . . . . . 1 11 G3' H1' parsed_1ntq 2
141 1 2 . . . . . . . . 1 11 G3' H4' parsed_1ntq 2
142 1 1 . . . . . . . . 1 11 G3' H2' parsed_1ntq 2
142 1 2 . . . . . . . . 1 11 G3' H1' parsed_1ntq 2
143 1 1 . . . . . . . . 1 2 A H3' parsed_1ntq 2
143 1 2 . . . . . . . . 1 2 A H8 parsed_1ntq 2
144 1 1 . . . . . . . . 1 7 A H1' parsed_1ntq 2
144 1 2 . . . . . . . . 1 7 A H4' parsed_1ntq 2
145 1 1 . . . . . . . . 1 7 A H3' parsed_1ntq 2
145 1 2 . . . . . . . . 1 8 G H8 parsed_1ntq 2
146 1 1 . . . . . . . . 1 8 G H4' parsed_1ntq 2
146 1 2 . . . . . . . . 1 8 G H8 parsed_1ntq 2
147 1 1 . . . . . . . . 1 10 A H1' parsed_1ntq 2
147 1 2 . . . . . . . . 1 10 A H4' parsed_1ntq 2
148 1 1 . . . . . . . . B 5 C H5 parsed_1ntq 2
148 1 2 . . . . . . . . B 5 C H6 parsed_1ntq 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 . . . . . . 1.505 3.512 parsed_1ntq 2
2 1 . . . . . . 1.774 4.139 parsed_1ntq 2
3 1 . . . . . . 2.175 5.076 parsed_1ntq 2
4 1 . . . . . . 2.352 5.487 parsed_1ntq 2
5 1 . . . . . . 1.964 4.582 parsed_1ntq 2
6 1 . . . . . . 1.940 4.526 parsed_1ntq 2
7 1 . . . . . . 2.264 5.282 parsed_1ntq 2
8 1 . . . . . . 1.451 3.386 parsed_1ntq 2
9 1 . . . . . . 2.438 5.689 parsed_1ntq 2
10 1 . . . . . . 1.518 3.543 parsed_1ntq 2
11 1 . . . . . . 1.946 4.540 parsed_1ntq 2
12 1 . . . . . . 2.075 4.843 parsed_1ntq 2
13 1 . . . . . . 2.092 4.882 parsed_1ntq 2
14 1 . . . . . . 1.986 4.635 parsed_1ntq 2
15 1 . . . . . . 2.231 5.205 parsed_1ntq 2
16 1 . . . . . . 1.908 4.452 parsed_1ntq 2
17 1 . . . . . . 2.252 5.254 parsed_1ntq 2
18 1 . . . . . . 2.101 4.902 parsed_1ntq 2
19 1 . . . . . . 2.082 4.859 parsed_1ntq 2
20 1 . . . . . . 2.318 5.408 parsed_1ntq 2
21 1 . . . . . . 1.884 4.397 parsed_1ntq 2
22 1 . . . . . . 2.037 4.754 parsed_1ntq 2
23 1 . . . . . . 1.981 4.623 parsed_1ntq 2
24 1 . . . . . . 2.592 6.000 parsed_1ntq 2
25 1 . . . . . . 1.485 3.464 parsed_1ntq 2
26 1 . . . . . . 1.481 3.455 parsed_1ntq 2
27 1 . . . . . . 2.021 4.716 parsed_1ntq 2
28 1 . . . . . . 1.888 4.406 parsed_1ntq 2
29 1 . . . . . . 2.904 6.000 parsed_1ntq 2
30 1 . . . . . . 2.471 5.766 parsed_1ntq 2
31 1 . . . . . . 1.988 4.640 parsed_1ntq 2
32 1 . . . . . . 1.741 4.063 parsed_1ntq 2
33 1 . . . . . . 2.712 6.000 parsed_1ntq 2
34 1 . . . . . . 2.008 4.686 parsed_1ntq 2
35 1 . . . . . . 2.629 6.000 parsed_1ntq 2
36 1 . . . . . . 1.872 4.367 parsed_1ntq 2
37 1 . . . . . . 1.744 4.070 parsed_1ntq 2
38 1 . . . . . . 2.181 5.089 parsed_1ntq 2
39 1 . . . . . . 1.894 4.420 parsed_1ntq 2
40 1 . . . . . . 2.001 4.668 parsed_1ntq 2
41 1 . . . . . . 1.461 3.410 parsed_1ntq 2
42 1 . . . . . . 1.989 4.642 parsed_1ntq 2
43 1 . . . . . . 1.904 4.442 parsed_1ntq 2
44 1 . . . . . . 2.482 5.790 parsed_1ntq 2
45 1 . . . . . . 2.386 5.566 parsed_1ntq 2
46 1 . . . . . . 2.466 5.755 parsed_1ntq 2
47 1 . . . . . . 1.750 4.083 parsed_1ntq 2
48 1 . . . . . . 2.111 4.926 parsed_1ntq 2
49 1 . . . . . . 2.599 6.000 parsed_1ntq 2
50 1 . . . . . . 2.498 5.829 parsed_1ntq 2
51 1 . . . . . . 2.003 4.673 parsed_1ntq 2
52 1 . . . . . . 1.806 4.215 parsed_1ntq 2
53 1 . . . . . . 1.705 3.977 parsed_1ntq 2
54 1 . . . . . . 2.861 6.000 parsed_1ntq 2
55 1 . . . . . . 2.124 4.955 parsed_1ntq 2
56 1 . . . . . . 2.249 5.248 parsed_1ntq 2
57 1 . . . . . . 1.651 3.852 parsed_1ntq 2
58 1 . . . . . . 2.486 5.800 parsed_1ntq 2
59 1 . . . . . . 1.703 3.973 parsed_1ntq 2
60 1 . . . . . . 1.767 4.124 parsed_1ntq 2
61 1 . . . . . . 1.848 4.311 parsed_1ntq 2
62 1 . . . . . . 1.478 3.449 parsed_1ntq 2
63 1 . . . . . . 1.819 4.245 parsed_1ntq 2
64 1 . . . . . . 2.365 5.518 parsed_1ntq 2
65 1 . . . . . . 2.875 6.000 parsed_1ntq 2
66 1 . . . . . . 1.721 4.016 parsed_1ntq 2
67 1 . . . . . . 3.058 6.000 parsed_1ntq 2
68 1 . . . . . . 2.645 6.000 parsed_1ntq 2
69 1 . . . . . . 1.848 4.311 parsed_1ntq 2
70 1 . . . . . . 2.292 5.349 parsed_1ntq 2
71 1 . . . . . . 2.389 5.575 parsed_1ntq 2
72 1 . . . . . . 2.678 6.000 parsed_1ntq 2
73 1 . . . . . . 1.916 4.472 parsed_1ntq 2
74 1 . . . . . . 1.689 3.942 parsed_1ntq 2
75 1 . . . . . . 1.946 4.540 parsed_1ntq 2
76 1 . . . . . . 2.081 4.855 parsed_1ntq 2
77 1 . . . . . . 3.507 6.000 parsed_1ntq 2
78 1 . . . . . . 1.971 4.599 parsed_1ntq 2
79 1 . . . . . . 2.629 6.000 parsed_1ntq 2
80 1 . . . . . . 3.190 6.000 parsed_1ntq 2
81 1 . . . . . . 2.522 5.885 parsed_1ntq 2
82 1 . . . . . . 1.646 3.840 parsed_1ntq 2
83 1 . . . . . . 1.569 3.662 parsed_1ntq 2
84 1 . . . . . . 1.505 3.512 parsed_1ntq 2
85 1 . . . . . . 2.569 5.994 parsed_1ntq 2
86 1 . . . . . . 1.491 3.480 parsed_1ntq 2
87 1 . . . . . . 1.979 4.617 parsed_1ntq 2
88 1 . . . . . . 1.643 3.834 parsed_1ntq 2
89 1 . . . . . . 2.211 5.160 parsed_1ntq 2
90 1 . . . . . . 1.697 3.960 parsed_1ntq 2
91 1 . . . . . . 1.841 4.296 parsed_1ntq 2
92 1 . . . . . . 2.667 6.000 parsed_1ntq 2
93 1 . . . . . . 2.041 4.762 parsed_1ntq 2
94 1 . . . . . . 2.775 6.000 parsed_1ntq 2
95 1 . . . . . . 1.685 3.932 parsed_1ntq 2
96 1 . . . . . . 1.713 3.997 parsed_1ntq 2
97 1 . . . . . . 1.788 4.171 parsed_1ntq 2
98 1 . . . . . . 1.596 3.723 parsed_1ntq 2
99 1 . . . . . . 2.298 5.361 parsed_1ntq 2
100 1 . . . . . . 3.411 6.000 parsed_1ntq 2
101 1 . . . . . . 1.939 4.524 parsed_1ntq 2
102 1 . . . . . . 1.861 4.342 parsed_1ntq 2
103 1 . . . . . . 1.967 4.590 parsed_1ntq 2
104 1 . . . . . . 1.529 3.568 parsed_1ntq 2
105 1 . . . . . . 1.562 3.644 parsed_1ntq 2
106 1 . . . . . . 2.518 5.875 parsed_1ntq 2
107 1 . . . . . . 2.075 4.843 parsed_1ntq 2
108 1 . . . . . . 2.355 5.494 parsed_1ntq 2
109 1 . . . . . . 1.640 3.828 parsed_1ntq 2
110 1 . . . . . . 2.452 5.722 parsed_1ntq 2
111 1 . . . . . . 1.967 4.590 parsed_1ntq 2
112 1 . . . . . . 2.925 6.000 parsed_1ntq 2
113 1 . . . . . . 2.463 5.747 parsed_1ntq 2
114 1 . . . . . . 2.528 5.898 parsed_1ntq 2
115 1 . . . . . . 2.063 4.815 parsed_1ntq 2
116 1 . . . . . . 1.598 3.728 parsed_1ntq 2
117 1 . . . . . . 1.593 3.718 parsed_1ntq 2
118 1 . . . . . . 1.951 4.552 parsed_1ntq 2
119 1 . . . . . . 2.138 4.989 parsed_1ntq 2
120 1 . . . . . . 1.891 4.413 parsed_1ntq 2
121 1 . . . . . . 2.554 5.959 parsed_1ntq 2
122 1 . . . . . . 2.616 6.000 parsed_1ntq 2
123 1 . . . . . . 2.327 5.429 parsed_1ntq 2
124 1 . . . . . . 1.589 3.708 parsed_1ntq 2
125 1 . . . . . . 2.033 4.743 parsed_1ntq 2
126 1 . . . . . . 1.623 3.787 parsed_1ntq 2
127 1 . . . . . . 2.431 5.672 parsed_1ntq 2
128 1 . . . . . . 1.897 4.426 parsed_1ntq 2
129 1 . . . . . . 1.659 3.871 parsed_1ntq 2
130 1 . . . . . . 1.938 4.522 parsed_1ntq 2
131 1 . . . . . . 1.755 4.094 parsed_1ntq 2
132 1 . . . . . . 2.361 5.510 parsed_1ntq 2
133 1 . . . . . . 2.051 4.785 parsed_1ntq 2
134 1 . . . . . . 2.479 5.785 parsed_1ntq 2
135 1 . . . . . . 2.183 5.094 parsed_1ntq 2
136 1 . . . . . . 2.259 5.271 parsed_1ntq 2
137 1 . . . . . . 1.618 3.775 parsed_1ntq 2
138 1 . . . . . . 1.907 4.450 parsed_1ntq 2
139 1 . . . . . . 2.183 5.094 parsed_1ntq 2
140 1 . . . . . . 2.312 5.394 parsed_1ntq 2
141 1 . . . . . . 1.987 4.637 parsed_1ntq 2
142 1 . . . . . . 1.912 4.461 parsed_1ntq 2
143 1 . . . . . . 0.000 6.000 parsed_1ntq 2
144 1 . . . . . . 0.000 6.000 parsed_1ntq 2
145 1 . . . . . . 0.000 6.000 parsed_1ntq 2
146 1 . . . . . . 0.000 6.000 parsed_1ntq 2
147 1 . . . . . . 0.000 6.000 parsed_1ntq 2
148 1 . . . . . . 0.000 6.000 parsed_1ntq 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
************
STRANDS 1 & 2 TOGETHER
;
1 1 5 1 parsed_1ntq 2
2 "2.508 0.40/0.40:" 6 82 6 107 parsed_1ntq 2
3 "2.956 0.40/0.40:" 7 82 7 107 parsed_1ntq 2
4 "3.626 0.40/0.40:" 8 82 8 107 parsed_1ntq 2
5 "3.919 0.40/0.40:" 9 82 9 107 parsed_1ntq 2
6 "3.273 0.40/0.40:" 10 82 10 107 parsed_1ntq 2
7 "3.233 0.40/0.40:" 11 82 11 107 parsed_1ntq 2
8 "3.773 0.40/0.40:" 12 82 12 107 parsed_1ntq 2
9 "2.419 0.40/0.40:" 13 82 13 107 parsed_1ntq 2
10 "4.063 0.40/0.40:" 14 82 14 107 parsed_1ntq 2
11 "2.531 0.40/0.40:" 15 82 15 107 parsed_1ntq 2
12 "3.243 0.40/0.40:" 16 82 16 107 parsed_1ntq 2
13 "3.459 0.40/0.40:" 17 82 17 107 parsed_1ntq 2
14 "3.487 0.40/0.40:" 18 82 18 107 parsed_1ntq 2
15 "3.311 0.40/0.40:" 19 82 19 107 parsed_1ntq 2
16 "3.718 0.40/0.40:" 20 82 20 107 parsed_1ntq 2
17 "3.180 0.40/0.40:" 21 82 21 107 parsed_1ntq 2
18 "3.753 0.40/0.40:" 22 82 22 107 parsed_1ntq 2
19 "3.501 0.40/0.40:" 23 82 23 107 parsed_1ntq 2
20 "3.470 0.40/0.40:" 24 82 24 107 parsed_1ntq 2
21 "3.863 0.40/0.40:" 25 82 25 107 parsed_1ntq 2
22 "3.141 0.40/0.40:" 26 82 26 107 parsed_1ntq 2
23 "3.396 0.40/0.40:" 27 82 27 107 parsed_1ntq 2
24 "3.302 0.40/0.40:" 28 82 28 107 parsed_1ntq 2
25 "4.321 0.40/0.40:" 29 82 29 107 parsed_1ntq 2
26 "2.474 0.40/0.40:" 30 82 30 107 parsed_1ntq 2
27 "2.468 0.40/0.40:" 31 82 31 107 parsed_1ntq 2
28 "3.369 0.40/0.40:" 32 82 32 107 parsed_1ntq 2
29 "3.147 0.40/0.40:" 33 82 33 107 parsed_1ntq 2
30 "4.840 0.40/0.40:" 34 82 34 107 parsed_1ntq 2
31 "4.119 0.40/0.40:" 35 82 35 107 parsed_1ntq 2
32 "3.314 0.40/0.40:" 36 82 36 107 parsed_1ntq 2
33 "2.902 0.40/0.40:" 37 82 37 107 parsed_1ntq 2
34 "4.520 0.40/0.40:" 38 82 38 107 parsed_1ntq 2
35 "3.347 0.40/0.40:" 39 82 39 107 parsed_1ntq 2
36 "4.381 0.40/0.40:" 40 82 40 107 parsed_1ntq 2
37 "3.119 0.40/0.40:" 41 82 41 107 parsed_1ntq 2
38 "2.907 0.40/0.40:" 42 82 42 107 parsed_1ntq 2
39 "3.635 0.40/0.40:" 43 82 43 107 parsed_1ntq 2
40 "3.157 0.40/0.40:" 44 82 44 107 parsed_1ntq 2
41 "3.334 0.40/0.40:" 45 82 45 107 parsed_1ntq 2
42 "2.436 0.40/0.40:" 46 82 46 107 parsed_1ntq 2
43 "3.316 0.40/0.40:" 47 82 47 107 parsed_1ntq 2
44 "3.173 0.40/0.40:" 48 82 48 107 parsed_1ntq 2
45 "4.136 0.40/0.40:" 49 82 49 107 parsed_1ntq 2
46 "3.976 0.40/0.40:" 50 82 50 107 parsed_1ntq 2
47 "4.111 0.40/0.40:" 51 82 51 107 parsed_1ntq 2
48 "2.916 0.40/0.40:" 52 82 52 107 parsed_1ntq 2
49 "3.519 0.40/0.40:" 53 82 53 107 parsed_1ntq 2
50 "4.331 0.40/0.40:" 54 82 54 107 parsed_1ntq 2
51 "4.163 0.40/0.40:" 55 82 55 107 parsed_1ntq 2
52 "3.338 0.40/0.40:" 56 82 56 107 parsed_1ntq 2
53 "3.011 0.40/0.40:" 57 82 57 107 parsed_1ntq 2
54 "2.841 0.40/0.40:" 58 82 58 107 parsed_1ntq 2
55 "4.768 0.40/0.40:" 59 82 59 107 parsed_1ntq 2
56 "3.540 0.40/0.40:" 60 82 60 107 parsed_1ntq 2
57 "3.749 0.40/0.40:" 61 82 61 107 parsed_1ntq 2
58 "2.752 0.40/0.40:" 62 82 62 107 parsed_1ntq 2
59 "4.143 0.40/0.40:" 63 82 63 107 parsed_1ntq 2
60 "2.838 0.40/0.40:" 64 82 64 107 parsed_1ntq 2
61 "2.946 0.40/0.40:" 65 82 65 107 parsed_1ntq 2
62 "3.080 0.40/0.40:" 66 82 66 107 parsed_1ntq 2
63 "2.464 0.40/0.40:" 67 82 67 107 parsed_1ntq 2
64 "3.032 0.40/0.40:" 68 82 68 107 parsed_1ntq 2
65 "3.941 0.40/0.40:" 69 82 69 107 parsed_1ntq 2
66 "4.792 0.40/0.40:" 70 82 70 107 parsed_1ntq 2
67 "2.869 0.40/0.40:" 71 82 71 107 parsed_1ntq 2
68 "5.097 0.40/0.40:" 72 82 72 107 parsed_1ntq 2
69 "4.409 0.40/0.40:" 73 82 73 107 parsed_1ntq 2
70 "3.080 0.40/0.40:" 74 82 74 107 parsed_1ntq 2
71 "3.821 0.40/0.40:" 75 82 75 107 parsed_1ntq 2
72 "3.982 0.40/0.40:" 76 82 76 107 parsed_1ntq 2
73 "4.463 0.40/0.40:" 77 82 77 107 parsed_1ntq 2
74 "3.194 0.40/0.40:" 78 82 78 107 parsed_1ntq 2
75 "2.816 0.40/0.40:" 79 82 79 107 parsed_1ntq 2
76 "3.243 0.40/0.40:" 80 82 80 107 parsed_1ntq 2
77 "3.468 0.40/0.40:" 81 82 81 107 parsed_1ntq 2
78 "5.845 0.40/0.40:" 82 82 82 107 parsed_1ntq 2
79 "3.285 0.40/0.40:" 83 82 83 107 parsed_1ntq 2
80 "4.382 0.40/0.40:" 84 82 84 107 parsed_1ntq 2
81 "5.317 0.40/0.40:" 85 82 85 107 parsed_1ntq 2
82 "4.203 0.40/0.40:" 86 82 86 107 parsed_1ntq 2
83 "2.743 0.40/0.40:" 87 82 87 107 parsed_1ntq 2
84 "2.615 0.40/0.40:" 88 82 88 107 parsed_1ntq 2
85 "2.508 0.40/0.40:" 89 82 89 107 parsed_1ntq 2
86 "4.281 0.40/0.40:" 90 82 90 107 parsed_1ntq 2
87 "2.485 0.40/0.40:" 91 82 91 107 parsed_1ntq 2
88 "3.298 0.40/0.40:" 92 82 92 107 parsed_1ntq 2
89 "2.738 0.40/0.40:" 93 82 93 107 parsed_1ntq 2
90 "3.685 0.40/0.40:" 94 82 94 107 parsed_1ntq 2
91 "2.829 0.40/0.40:" 95 82 95 107 parsed_1ntq 2
92 "3.069 0.40/0.40:" 96 82 96 107 parsed_1ntq 2
93 "4.444 0.40/0.40:" 97 82 97 107 parsed_1ntq 2
94 "3.402 0.40/0.40:" 98 82 98 107 parsed_1ntq 2
95 "4.625 0.40/0.40:" 99 82 99 107 parsed_1ntq 2
96 "2.808 0.40/0.40:" 100 82 100 107 parsed_1ntq 2
97 "2.855 0.40/0.40:" 101 82 101 107 parsed_1ntq 2
98 "2.979 0.40/0.40:" 102 82 102 107 parsed_1ntq 2
99 "2.659 0.40/0.40:" 103 82 103 107 parsed_1ntq 2
100 "3.830 0.40/0.40:" 104 82 104 107 parsed_1ntq 2
101 "5.684 0.40/0.40:" 105 82 105 107 parsed_1ntq 2
102 "3.232 0.40/0.40:" 106 82 106 107 parsed_1ntq 2
103 "3.101 0.40/0.40:" 107 82 107 107 parsed_1ntq 2
104 "3.279 0.40/0.40:" 108 82 108 107 parsed_1ntq 2
105 "2.549 0.40/0.40:" 109 82 109 107 parsed_1ntq 2
106 "2.603 0.40/0.40:" 110 82 110 107 parsed_1ntq 2
107 "4.196 0.40/0.40:" 111 82 111 107 parsed_1ntq 2
108 "3.459 0.40/0.40:" 112 82 112 107 parsed_1ntq 2
109 "3.925 0.40/0.40:" 113 82 113 107 parsed_1ntq 2
110 "2.734 0.40/0.40:" 114 82 114 107 parsed_1ntq 2
111 "4.087 0.40/0.40:" 115 82 115 107 parsed_1ntq 2
112 "3.279 0.40/0.40:" 116 82 116 107 parsed_1ntq 2
113 "4.874 0.40/0.40:" 117 82 117 107 parsed_1ntq 2
114 "4.105 0.40/0.40:" 118 82 118 107 parsed_1ntq 2
115 "4.213 0.40/0.40:" 119 82 119 107 parsed_1ntq 2
116 "3.439 0.40/0.40:" 120 82 120 107 parsed_1ntq 2
117 "2.663 0.40/0.40:" 121 82 121 107 parsed_1ntq 2
118 "2.656 0.40/0.40:" 122 82 122 107 parsed_1ntq 2
119 "3.252 0.40/0.40:" 123 82 123 107 parsed_1ntq 2
120 "3.564 0.40/0.40:" 124 82 124 107 parsed_1ntq 2
121 "3.152 0.40/0.40:" 125 82 125 107 parsed_1ntq 2
122 "4.257 0.40/0.40:" 126 82 126 107 parsed_1ntq 2
123 "4.360 0.40/0.40:" 127 82 127 107 parsed_1ntq 2
124 "3.878 0.40/0.40:" 128 82 128 107 parsed_1ntq 2
125 "2.649 0.40/0.40:" 129 82 129 107 parsed_1ntq 2
126 "3.388 0.40/0.40:" 130 82 130 107 parsed_1ntq 2
127 "2.705 0.40/0.40:" 131 82 131 107 parsed_1ntq 2
128 "4.051 0.40/0.40:" 132 82 132 107 parsed_1ntq 2
129 "3.162 0.40/0.40:" 133 82 133 107 parsed_1ntq 2
130 "2.765 0.40/0.40:" 134 82 134 107 parsed_1ntq 2
131 "3.230 0.40/0.40:" 135 82 135 107 parsed_1ntq 2
132 "2.924 0.40/0.40:" 136 82 136 107 parsed_1ntq 2
133 "3.936 0.40/0.40:" 137 82 137 107 parsed_1ntq 2
134 "3.418 0.40/0.40:" 138 82 138 107 parsed_1ntq 2
135 "4.132 0.40/0.40:" 139 82 139 107 parsed_1ntq 2
136 "3.638 0.40/0.40:" 140 82 140 107 parsed_1ntq 2
137 "3.765 0.40/0.40:" 141 82 141 107 parsed_1ntq 2
138 "2.697 0.40/0.40:" 142 82 142 107 parsed_1ntq 2
139 "3.179 0.40/0.40:" 143 82 143 107 parsed_1ntq 2
140 "3.638 0.40/0.40:" 144 82 144 107 parsed_1ntq 2
141 "3.853 0.40/0.40:" 145 82 145 107 parsed_1ntq 2
142 "3.312 0.40/0.40:" 146 82 146 107 parsed_1ntq 2
143 "3.186 0.40/0.40:" 147 82 147 107 parsed_1ntq 2
stop_
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ntq
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 2 A O3' 1 3 A P 1 3 A O5' 1 3 A C5' parsed_1ntq 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 3 A O3' 1 4 A P 1 4 A O5' 1 4 A C5' parsed_1ntq 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 4 A O3' 1 5 G P 1 5 G O5' 1 5 G C5' parsed_1ntq 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 5 G O3' 1 6 G P 1 6 G O5' 1 6 G C5' parsed_1ntq 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 6 G O3' 1 7 A P 1 7 A O5' 1 7 A C5' parsed_1ntq 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 7 A O3' 1 8 G P 1 8 G O5' 1 8 G C5' parsed_1ntq 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 8 G O3' 1 9 G P 1 9 G O5' 1 9 G C5' parsed_1ntq 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 9 G O3' 1 10 A P 1 10 A O5' 1 10 A C5' parsed_1ntq 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 3 A P 1 3 A O5' 1 3 A C5' 1 3 A C4' parsed_1ntq 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 4 A P 1 4 A O5' 1 4 A C5' 1 4 A C4' parsed_1ntq 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 5 G P 1 5 G O5' 1 5 G C5' 1 5 G C4' parsed_1ntq 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 6 G P 1 6 G O5' 1 6 G C5' 1 6 G C4' parsed_1ntq 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 7 A P 1 7 A O5' 1 7 A C5' 1 7 A C4' parsed_1ntq 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 8 G P 1 8 G O5' 1 8 G C5' 1 8 G C4' parsed_1ntq 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 9 G P 1 9 G O5' 1 9 G C5' 1 9 G C4' parsed_1ntq 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 10 A P 1 10 A O5' 1 10 A C5' 1 10 A C4' parsed_1ntq 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 2 A O5' 1 2 A C5' 1 2 A C4' 1 2 A C3' parsed_1ntq 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 3 A O5' 1 3 A C5' 1 3 A C4' 1 3 A C3' parsed_1ntq 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 4 A O5' 1 4 A C5' 1 4 A C4' 1 4 A C3' parsed_1ntq 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 5 G O5' 1 5 G C5' 1 5 G C4' 1 5 G C3' parsed_1ntq 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 6 G O5' 1 6 G C5' 1 6 G C4' 1 6 G C3' parsed_1ntq 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 7 A O5' 1 7 A C5' 1 7 A C4' 1 7 A C3' parsed_1ntq 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 8 G O5' 1 8 G C5' 1 8 G C4' 1 8 G C3' parsed_1ntq 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 9 G O5' 1 9 G C5' 1 9 G C4' 1 9 G C3' parsed_1ntq 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 10 A O5' 1 10 A C5' 1 10 A C4' 1 10 A C3' parsed_1ntq 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 2 A C5' 1 2 A C4' 1 2 A C3' 1 2 A O3' parsed_1ntq 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 3 A C5' 1 3 A C4' 1 3 A C3' 1 3 A O3' parsed_1ntq 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 4 A C5' 1 4 A C4' 1 4 A C3' 1 4 A O3' parsed_1ntq 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 5 G C5' 1 5 G C4' 1 5 G C3' 1 5 G O3' parsed_1ntq 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 6 G C5' 1 6 G C4' 1 6 G C3' 1 6 G O3' parsed_1ntq 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 7 A C5' 1 7 A C4' 1 7 A C3' 1 7 A O3' parsed_1ntq 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 8 G C5' 1 8 G C4' 1 8 G C3' 1 8 G O3' parsed_1ntq 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 9 G C5' 1 9 G C4' 1 9 G C3' 1 9 G O3' parsed_1ntq 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 10 A C5' 1 10 A C4' 1 10 A C3' 1 10 A O3' parsed_1ntq 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 2 A C4' 1 2 A C3' 1 2 A O3' 1 3 A P parsed_1ntq 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 3 A C4' 1 3 A C3' 1 3 A O3' 1 4 A P parsed_1ntq 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 4 A C4' 1 4 A C3' 1 4 A O3' 1 5 G P parsed_1ntq 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 5 G C4' 1 5 G C3' 1 5 G O3' 1 6 G P parsed_1ntq 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 6 G C4' 1 6 G C3' 1 6 G O3' 1 7 A P parsed_1ntq 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 7 A C4' 1 7 A C3' 1 7 A O3' 1 8 G P parsed_1ntq 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 8 G C4' 1 8 G C3' 1 8 G O3' 1 9 G P parsed_1ntq 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 9 G C4' 1 9 G C3' 1 9 G O3' 1 10 A P parsed_1ntq 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 2 A C3' 1 2 A O3' 1 3 A P 1 3 A O5' parsed_1ntq 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 3 A C3' 1 3 A O3' 1 4 A P 1 4 A O5' parsed_1ntq 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 4 A C3' 1 4 A O3' 1 5 G P 1 5 G O5' parsed_1ntq 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 5 G C3' 1 5 G O3' 1 6 G P 1 6 G O5' parsed_1ntq 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 6 G C3' 1 6 G O3' 1 7 A P 1 7 A O5' parsed_1ntq 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 7 A C3' 1 7 A O3' 1 8 G P 1 8 G O5' parsed_1ntq 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 8 G C3' 1 8 G O3' 1 9 G P 1 9 G O5' parsed_1ntq 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 9 G C3' 1 9 G O3' 1 10 A P 1 10 A O5' parsed_1ntq 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 2 A O4' 1 2 A C1' 1 2 A N9 1 2 A C4 parsed_1ntq 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 3 A O4' 1 3 A C1' 1 3 A N9 1 3 A C4 parsed_1ntq 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 4 A O4' 1 4 A C1' 1 4 A N9 1 4 A C4 parsed_1ntq 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 5 G O4' 1 5 G C1' 1 5 G N9 1 5 G C4 parsed_1ntq 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 6 G O4' 1 6 G C1' 1 6 G N9 1 6 G C4 parsed_1ntq 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 7 A O4' 1 7 A C1' 1 7 A N9 1 7 A C4 parsed_1ntq 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 8 G O4' 1 8 G C1' 1 8 G N9 1 8 G C4 parsed_1ntq 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 9 G O4' 1 9 G C1' 1 9 G N9 1 9 G C4 parsed_1ntq 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 10 A O4' 1 10 A C1' 1 10 A N9 1 10 A C4 parsed_1ntq 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
**********************************************
DIHEDRAL RESTRAINTS
**********************************************
NMR_dihedral
alpha (NOT TIGHTLY RESTRAINED) P-O5'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO
;
1 1 11 1 parsed_1ntq 1
2 "beta (NOT TIGHTLY RESTRAINED) O5'-C5'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO" 20 1 22 1 parsed_1ntq 1
3
;
gamma C5'-C4'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO
;
31 1 34 1 parsed_1ntq 1
4
;
delta C4'-C3'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO
;
44 1 48 1 parsed_1ntq 1
5 "epsilon C3'-O3'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO" 58 1 62 1 parsed_1ntq 1
6 "zeta O3'-P; first strand (RNA) ONLY RESTRAINED TO C3'ENDO" 71 1 74 1 parsed_1ntq 1
7
;
chi Glycosidic torsions; strand 1 (RNA) ONLY RESTRAINED TO C3'ENDO
;
83 1 87 1 parsed_1ntq 1
stop_
save_
save_Discover_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ntq
_Torsion_angle_constraint_list.ID 2
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 1 C5' O3' B 2 C P B 2 C O5' B 2 C C5' parsed_1ntq 2
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 2 C O3' B 3 U P B 3 U O5' B 3 U C5' parsed_1ntq 2
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 3 U O3' B 4 C P B 4 C O5' B 4 C C5' parsed_1ntq 2
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 4 C O3' B 5 C P B 5 C O5' B 5 C C5' parsed_1ntq 2
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 5 C O3' B 6 U P B 6 U O5' B 6 U C5' parsed_1ntq 2
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 6 U O3' B 7 U3' P B 7 U3' O5' B 7 U3' C5' parsed_1ntq 2
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . B 2 C P B 2 C O5' B 2 C C5' B 2 C C4' parsed_1ntq 2
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . B 3 U P B 3 U O5' B 3 U C5' B 3 U C4' parsed_1ntq 2
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . B 4 C P B 4 C O5' B 4 C C5' B 4 C C4' parsed_1ntq 2
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . B 5 C P B 5 C O5' B 5 C C5' B 5 C C4' parsed_1ntq 2
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . B 6 U P B 6 U O5' B 6 U C5' B 6 U C4' parsed_1ntq 2
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . B 7 U3' P B 7 U3' O5' B 7 U3' C5' B 7 U3' C4' parsed_1ntq 2
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 1 C5' O5' B 1 C5' C5' B 1 C5' C4' B 1 C5' C3' parsed_1ntq 2
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 2 C O5' B 2 C C5' B 2 C C4' B 2 C C3' parsed_1ntq 2
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 3 U O5' B 3 U C5' B 3 U C4' B 3 U C3' parsed_1ntq 2
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 4 C O5' B 4 C C5' B 4 C C4' B 4 C C3' parsed_1ntq 2
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 5 C O5' B 5 C C5' B 5 C C4' B 5 C C3' parsed_1ntq 2
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 6 U O5' B 6 U C5' B 6 U C4' B 6 U C3' parsed_1ntq 2
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 7 U3' O5' B 7 U3' C5' B 7 U3' C4' B 7 U3' C3' parsed_1ntq 2
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . B 1 C5' C5' B 1 C5' C4' B 1 C5' C3' B 1 C5' O3' parsed_1ntq 2
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . B 2 C C5' B 2 C C4' B 2 C C3' B 2 C O3' parsed_1ntq 2
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . B 3 U C5' B 3 U C4' B 3 U C3' B 3 U O3' parsed_1ntq 2
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . B 4 C C5' B 4 C C4' B 4 C C3' B 4 C O3' parsed_1ntq 2
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . B 5 C C5' B 5 C C4' B 5 C C3' B 5 C O3' parsed_1ntq 2
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . B 6 U C5' B 6 U C4' B 6 U C3' B 6 U O3' parsed_1ntq 2
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . B 7 U3' C5' B 7 U3' C4' B 7 U3' C3' B 7 U3' O3' parsed_1ntq 2
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -90.0 . B 1 C5' C4' B 1 C5' C3' B 1 C5' O3' B 2 C P parsed_1ntq 2
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -90.0 . B 2 C C4' B 2 C C3' B 2 C O3' B 3 U P parsed_1ntq 2
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -90.0 . B 3 U C4' B 3 U C3' B 3 U O3' B 4 C P parsed_1ntq 2
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -90.0 . B 4 C C4' B 4 C C3' B 4 C O3' B 5 C P parsed_1ntq 2
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -90.0 . B 5 C C4' B 5 C C3' B 5 C O3' B 6 U P parsed_1ntq 2
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -90.0 . B 6 U C4' B 6 U C3' B 6 U O3' B 7 U3' P parsed_1ntq 2
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 1 C5' C3' B 1 C5' O3' B 2 C P B 2 C O5' parsed_1ntq 2
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 2 C C3' B 2 C O3' B 3 U P B 3 U O5' parsed_1ntq 2
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 3 U C3' B 3 U O3' B 4 C P B 4 C O5' parsed_1ntq 2
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 4 C C3' B 4 C O3' B 5 C P B 5 C O5' parsed_1ntq 2
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 5 C C3' B 5 C O3' B 6 U P B 6 U O5' parsed_1ntq 2
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 6 U C3' B 6 U O3' B 7 U3' P B 7 U3' O5' parsed_1ntq 2
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 60.0 . B 1 C5' O4' B 1 C5' C1' B 1 C5' N1 B 1 C5' C2 parsed_1ntq 2
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 60.0 . B 2 C O4' B 2 C C1' B 2 C N1 B 2 C C2 parsed_1ntq 2
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 60.0 . B 3 U O4' B 3 U C1' B 3 U N1 B 3 U C2 parsed_1ntq 2
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 60.0 . B 4 C O4' B 4 C C1' B 4 C N1 B 4 C C2 parsed_1ntq 2
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 60.0 . B 5 C O4' B 5 C C1' B 5 C N1 B 5 C C2 parsed_1ntq 2
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 60.0 . B 6 U O4' B 6 U C1' B 6 U N1 B 6 U C2 parsed_1ntq 2
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 60.0 . B 7 U3' O4' B 7 U3' C1' B 7 U3' N1 B 7 U3' C2 parsed_1ntq 2
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
3J_dihedral
alpha P-O5'; first strand
;
2 1 4 1 parsed_1ntq 2
2
;
beta O5'-C5'; first strand
;
11 1 14 1 parsed_1ntq 2
3
;
gamma C5'-C4'; first strand
;
21 1 24 1 parsed_1ntq 2
4
;
delta C4'-C3'; first strand
;
32 1 35 1 parsed_1ntq 2
5
;
epsilon C3'-O3'; first strand
;
43 1 47 1 parsed_1ntq 2
6
;
zeta O3'-P; first strand
;
54 1 57 1 parsed_1ntq 2
7
;
chi Glycosidic torsions; strand 1
;
64 1 67 1 parsed_1ntq 2
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 5 116 5 152 parsed_1ntq 2
2 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 6 116 6 152 parsed_1ntq 2
3 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 7 116 7 152 parsed_1ntq 2
4 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 8 116 8 152 parsed_1ntq 2
5 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 9 116 9 152 parsed_1ntq 2
6 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 10 116 10 152 parsed_1ntq 2
7 "-180.0 -90.0" 15 117 15 128 parsed_1ntq 2
8 "-180.0 -90.0" 16 117 16 128 parsed_1ntq 2
9 "-180.0 -90.0" 17 117 17 128 parsed_1ntq 2
10 "-180.0 -90.0" 18 117 18 128 parsed_1ntq 2
11 "-180.0 -90.0" 19 117 19 128 parsed_1ntq 2
12 "-180.0 -90.0" 20 117 20 128 parsed_1ntq 2
13 "150.0 180.0 -180.0 -30.0" 25 116 25 139 parsed_1ntq 2
14 "150.0 180.0 -180.0 -30.0" 26 116 26 139 parsed_1ntq 2
15 "150.0 180.0 -180.0 -30.0" 27 116 27 139 parsed_1ntq 2
16 "150.0 180.0 -180.0 -30.0" 28 116 28 139 parsed_1ntq 2
17 "150.0 180.0 -180.0 -30.0" 29 116 29 139 parsed_1ntq 2
18 "150.0 180.0 -180.0 -30.0" 30 116 30 139 parsed_1ntq 2
19 "150.0 180.0 -180.0 -30.0" 31 116 31 139 parsed_1ntq 2
20 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 58 116 58 152 parsed_1ntq 2
21 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 59 116 59 152 parsed_1ntq 2
22 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 60 116 60 152 parsed_1ntq 2
23 "150.0 180.0 -180.0 -150.0 -90.0 -30.00" 61 116 61 153 parsed_1ntq 2
24 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 62 116 62 152 parsed_1ntq 2
25 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 63 116 63 152 parsed_1ntq 2
26 "-180.0 -120.0" 68 115 68 127 parsed_1ntq 2
27 "-180.0 -120.0" 69 115 69 127 parsed_1ntq 2
28 "-180.0 -120.0" 70 115 70 127 parsed_1ntq 2
29 "-180.0 -120.0" 71 115 71 127 parsed_1ntq 2
30 "-180.0 -120.0" 72 115 72 127 parsed_1ntq 2
31 "-180.0 -120.0" 73 115 73 127 parsed_1ntq 2
32 "-180.0 -120.0" 74 115 74 127 parsed_1ntq 2
stop_
save_
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