NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
37865 |
1qes   |
cing | 2-parsed | STAR | entry | full | 206 |
data_1qes_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1qes
_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_1qes 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1qes
_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 1qes "Master copy" parsed_1qes
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1qes
_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 1qes.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1qes 1
1 1qes.mr . . DISCOVER 2 distance NOE simple 186 parsed_1qes 1
1 1qes.mr . . DISCOVER 3 distance "hydrogen bond" simple 20 parsed_1qes 1
1 1qes.mr . . unknown 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1qes 1
1 1qes.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1qes 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_1qes
_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 RIBONUCLEIC ACID 04-MAR-97 1QES
*TITLE TANDEM GU MISMATCHES IN RNA, NMR, 30 STRUCTURES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: RNA (5'-R(*GP*GP*AP*GP*UP*UP*CP*C)-3');
*COMPND 3 CHAIN: A, B;
*COMPND 4 SYNONYM: (RGGAGUUCC)2;
*COMPND 5 ENGINEERED: YES;
*COMPND 6 OTHER_DETAILS: ANTI-PARALLEL RNA DUPLEX, TANDEM GUANOSINE/
*COMPND 7 URIDINE MISMATCHES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES
*KEYWDS RIBONUCLEIC ACID, G:U MISMATCH
*EXPDTA NMR, 30 STRUCTURES
*AUTHOR J.A.MCDOWELL,L.HE,X.CHEN,D.H.TURNER
*REVDAT 1 05-JUN-97 1QES 0
;
save_
save_Discover_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1qes
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_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_1qes 1
2 1 . . . parsed_1qes 1
3 1 . . . parsed_1qes 1
4 1 . . . parsed_1qes 1
5 1 . . . parsed_1qes 1
6 1 . . . parsed_1qes 1
7 1 . . . parsed_1qes 1
8 1 . . . parsed_1qes 1
9 1 . . . parsed_1qes 1
10 1 . . . parsed_1qes 1
11 1 . . . parsed_1qes 1
12 1 . . . parsed_1qes 1
13 1 . . . parsed_1qes 1
14 1 . . . parsed_1qes 1
15 1 . . . parsed_1qes 1
16 1 . . . parsed_1qes 1
17 1 . . . parsed_1qes 1
18 1 . . . parsed_1qes 1
19 1 . . . parsed_1qes 1
20 1 . . . parsed_1qes 1
21 1 . . . parsed_1qes 1
22 1 . . . parsed_1qes 1
23 1 . . . parsed_1qes 1
24 1 . . . parsed_1qes 1
25 1 . . . parsed_1qes 1
26 1 . . . parsed_1qes 1
27 1 . . . parsed_1qes 1
28 1 . . . parsed_1qes 1
29 1 . . . parsed_1qes 1
30 1 . . . parsed_1qes 1
31 1 . . . parsed_1qes 1
32 1 . . . parsed_1qes 1
33 1 . . . parsed_1qes 1
34 1 . . . parsed_1qes 1
35 1 . . . parsed_1qes 1
36 1 . . . parsed_1qes 1
37 1 . . . parsed_1qes 1
38 1 . . . parsed_1qes 1
39 1 . . . parsed_1qes 1
40 1 . . . parsed_1qes 1
41 1 . . . parsed_1qes 1
42 1 . . . parsed_1qes 1
43 1 . . . parsed_1qes 1
44 1 . . . parsed_1qes 1
45 1 . . . parsed_1qes 1
46 1 . . . parsed_1qes 1
47 1 . . . parsed_1qes 1
48 1 . . . parsed_1qes 1
49 1 . . . parsed_1qes 1
50 1 . . . parsed_1qes 1
51 1 . . . parsed_1qes 1
52 1 . . . parsed_1qes 1
53 1 . . . parsed_1qes 1
54 1 . . . parsed_1qes 1
55 1 . . . parsed_1qes 1
56 1 . . . parsed_1qes 1
57 1 . . . parsed_1qes 1
58 1 . . . parsed_1qes 1
59 1 . . . parsed_1qes 1
60 1 . . . parsed_1qes 1
61 1 . . . parsed_1qes 1
62 1 . . . parsed_1qes 1
63 1 . . . parsed_1qes 1
64 1 . . . parsed_1qes 1
65 1 . . . parsed_1qes 1
66 1 . . . parsed_1qes 1
67 1 . . . parsed_1qes 1
68 1 . . . parsed_1qes 1
69 1 . . . parsed_1qes 1
70 1 . . . parsed_1qes 1
71 1 . . . parsed_1qes 1
72 1 . . . parsed_1qes 1
73 1 . . . parsed_1qes 1
74 1 . . . parsed_1qes 1
75 1 . . . parsed_1qes 1
76 1 . . . parsed_1qes 1
77 1 . . . parsed_1qes 1
78 1 . . . parsed_1qes 1
79 1 . . . parsed_1qes 1
80 1 . . . parsed_1qes 1
81 1 . . . parsed_1qes 1
82 1 . . . parsed_1qes 1
83 1 . . . parsed_1qes 1
84 1 . . . parsed_1qes 1
85 1 . . . parsed_1qes 1
86 1 . . . parsed_1qes 1
87 1 . . . parsed_1qes 1
88 1 . . . parsed_1qes 1
89 1 . . . parsed_1qes 1
90 1 . . . parsed_1qes 1
91 1 . . . parsed_1qes 1
92 1 . . . parsed_1qes 1
93 1 . . . parsed_1qes 1
94 1 . . . parsed_1qes 1
95 1 . . . parsed_1qes 1
96 1 . . . parsed_1qes 1
97 1 . . . parsed_1qes 1
98 1 . . . parsed_1qes 1
99 1 . . . parsed_1qes 1
100 1 . . . parsed_1qes 1
101 1 . . . parsed_1qes 1
102 1 . . . parsed_1qes 1
103 1 . . . parsed_1qes 1
104 1 . . . parsed_1qes 1
105 1 . . . parsed_1qes 1
106 1 . . . parsed_1qes 1
107 1 . . . parsed_1qes 1
108 1 . . . parsed_1qes 1
109 1 . . . parsed_1qes 1
110 1 . . . parsed_1qes 1
111 1 . . . parsed_1qes 1
112 1 . . . parsed_1qes 1
113 1 . . . parsed_1qes 1
114 1 . . . parsed_1qes 1
115 1 . . . parsed_1qes 1
116 1 . . . parsed_1qes 1
117 1 . . . parsed_1qes 1
118 1 . . . parsed_1qes 1
119 1 . . . parsed_1qes 1
120 1 . . . parsed_1qes 1
121 1 . . . parsed_1qes 1
122 1 . . . parsed_1qes 1
123 1 . . . parsed_1qes 1
124 1 . . . parsed_1qes 1
125 1 . . . parsed_1qes 1
126 1 . . . parsed_1qes 1
127 1 . . . parsed_1qes 1
128 1 . . . parsed_1qes 1
129 1 . . . parsed_1qes 1
130 1 . . . parsed_1qes 1
131 1 . . . parsed_1qes 1
132 1 . . . parsed_1qes 1
133 1 . . . parsed_1qes 1
134 1 . . . parsed_1qes 1
135 1 . . . parsed_1qes 1
136 1 . . . parsed_1qes 1
137 1 . . . parsed_1qes 1
138 1 . . . parsed_1qes 1
139 1 . . . parsed_1qes 1
140 1 . . . parsed_1qes 1
141 1 . . . parsed_1qes 1
142 1 . . . parsed_1qes 1
143 1 . . . parsed_1qes 1
144 1 . . . parsed_1qes 1
145 1 . . . parsed_1qes 1
146 1 . . . parsed_1qes 1
147 1 . . . parsed_1qes 1
148 1 . . . parsed_1qes 1
149 1 . . . parsed_1qes 1
150 1 . . . parsed_1qes 1
151 1 . . . parsed_1qes 1
152 1 . . . parsed_1qes 1
153 1 . . . parsed_1qes 1
154 1 . . . parsed_1qes 1
155 1 . . . parsed_1qes 1
156 1 . . . parsed_1qes 1
157 1 . . . parsed_1qes 1
158 1 . . . parsed_1qes 1
159 1 . . . parsed_1qes 1
160 1 . . . parsed_1qes 1
161 1 . . . parsed_1qes 1
162 1 . . . parsed_1qes 1
163 1 . . . parsed_1qes 1
164 1 . . . parsed_1qes 1
165 1 . . . parsed_1qes 1
166 1 . . . parsed_1qes 1
167 1 . . . parsed_1qes 1
168 1 . . . parsed_1qes 1
169 1 . . . parsed_1qes 1
170 1 . . . parsed_1qes 1
171 1 . . . parsed_1qes 1
172 1 . . . parsed_1qes 1
173 1 . . . parsed_1qes 1
174 1 . . . parsed_1qes 1
175 1 . . . parsed_1qes 1
176 1 . . . parsed_1qes 1
177 1 . . . parsed_1qes 1
178 1 . . . parsed_1qes 1
179 1 . . . parsed_1qes 1
180 1 . . . parsed_1qes 1
181 1 . . . parsed_1qes 1
182 1 . . . parsed_1qes 1
183 1 . . . parsed_1qes 1
184 1 . . . parsed_1qes 1
185 1 . . . parsed_1qes 1
186 1 . . . parsed_1qes 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 1 G5' H1' parsed_1qes 1
1 1 2 . . . . . . . . 1 1 G5' H8 parsed_1qes 1
2 1 1 . . . . . . . . 1 2 G H1' parsed_1qes 1
2 1 2 . . . . . . . . 1 2 G H8 parsed_1qes 1
3 1 1 . . . . . . . . 1 3 A H1' parsed_1qes 1
3 1 2 . . . . . . . . 1 3 A H8 parsed_1qes 1
4 1 1 . . . . . . . . 1 4 G H1' parsed_1qes 1
4 1 2 . . . . . . . . 1 4 G H8 parsed_1qes 1
5 1 1 . . . . . . . . 1 5 U H1' parsed_1qes 1
5 1 2 . . . . . . . . 1 5 U H6 parsed_1qes 1
6 1 1 . . . . . . . . 1 6 U H1' parsed_1qes 1
6 1 2 . . . . . . . . 1 6 U H6 parsed_1qes 1
7 1 1 . . . . . . . . 1 7 C H1' parsed_1qes 1
7 1 2 . . . . . . . . 1 7 C H6 parsed_1qes 1
8 1 1 . . . . . . . . 1 8 C3' H1' parsed_1qes 1
8 1 2 . . . . . . . . 1 8 C3' H6 parsed_1qes 1
9 1 1 . . . . . . . . B 1 G5' H1' parsed_1qes 1
9 1 2 . . . . . . . . B 1 G5' H8 parsed_1qes 1
10 1 1 . . . . . . . . B 2 G H1' parsed_1qes 1
10 1 2 . . . . . . . . B 2 G H8 parsed_1qes 1
11 1 1 . . . . . . . . B 3 A H1' parsed_1qes 1
11 1 2 . . . . . . . . B 3 A H8 parsed_1qes 1
12 1 1 . . . . . . . . B 4 G H1' parsed_1qes 1
12 1 2 . . . . . . . . B 4 G H8 parsed_1qes 1
13 1 1 . . . . . . . . B 5 U H1' parsed_1qes 1
13 1 2 . . . . . . . . B 5 U H6 parsed_1qes 1
14 1 1 . . . . . . . . B 6 U H1' parsed_1qes 1
14 1 2 . . . . . . . . B 6 U H6 parsed_1qes 1
15 1 1 . . . . . . . . B 7 C H1' parsed_1qes 1
15 1 2 . . . . . . . . B 7 C H6 parsed_1qes 1
16 1 1 . . . . . . . . B 8 C3' H1' parsed_1qes 1
16 1 2 . . . . . . . . B 8 C3' H6 parsed_1qes 1
17 1 1 . . . . . . . . 1 1 G5' H1' parsed_1qes 1
17 1 2 . . . . . . . . 1 2 G H8 parsed_1qes 1
18 1 1 . . . . . . . . 1 2 G H1' parsed_1qes 1
18 1 2 . . . . . . . . 1 3 A H8 parsed_1qes 1
19 1 1 . . . . . . . . 1 3 A H1' parsed_1qes 1
19 1 2 . . . . . . . . 1 4 G H8 parsed_1qes 1
20 1 1 . . . . . . . . 1 4 G H1' parsed_1qes 1
20 1 2 . . . . . . . . 1 5 U H6 parsed_1qes 1
21 1 1 . . . . . . . . 1 5 U H1' parsed_1qes 1
21 1 2 . . . . . . . . 1 6 U H6 parsed_1qes 1
22 1 1 . . . . . . . . 1 6 U H1' parsed_1qes 1
22 1 2 . . . . . . . . 1 7 C H6 parsed_1qes 1
23 1 1 . . . . . . . . 1 7 C H1' parsed_1qes 1
23 1 2 . . . . . . . . 1 8 C3' H6 parsed_1qes 1
24 1 1 . . . . . . . . B 1 G5' H1' parsed_1qes 1
24 1 2 . . . . . . . . B 2 G H8 parsed_1qes 1
25 1 1 . . . . . . . . B 2 G H1' parsed_1qes 1
25 1 2 . . . . . . . . B 3 A H8 parsed_1qes 1
26 1 1 . . . . . . . . B 3 A H1' parsed_1qes 1
26 1 2 . . . . . . . . B 4 G H8 parsed_1qes 1
27 1 1 . . . . . . . . B 4 G H1' parsed_1qes 1
27 1 2 . . . . . . . . B 5 U H6 parsed_1qes 1
28 1 1 . . . . . . . . B 5 U H1' parsed_1qes 1
28 1 2 . . . . . . . . B 6 U H6 parsed_1qes 1
29 1 1 . . . . . . . . B 6 U H1' parsed_1qes 1
29 1 2 . . . . . . . . B 7 C H6 parsed_1qes 1
30 1 1 . . . . . . . . B 7 C H1' parsed_1qes 1
30 1 2 . . . . . . . . B 8 C3' H6 parsed_1qes 1
31 1 1 . . . . . . . . B 7 C H1' parsed_1qes 1
31 1 2 . . . . . . . . 1 3 A H2 parsed_1qes 1
32 1 1 . . . . . . . . 1 4 G H1' parsed_1qes 1
32 1 2 . . . . . . . . 1 3 A H2 parsed_1qes 1
33 1 1 . . . . . . . . 1 3 A H1' parsed_1qes 1
33 1 2 . . . . . . . . 1 3 A H2 parsed_1qes 1
34 1 1 . . . . . . . . 1 7 C H1' parsed_1qes 1
34 1 2 . . . . . . . . B 3 A H2 parsed_1qes 1
35 1 1 . . . . . . . . B 4 G H1' parsed_1qes 1
35 1 2 . . . . . . . . B 3 A H2 parsed_1qes 1
36 1 1 . . . . . . . . B 3 A H1' parsed_1qes 1
36 1 2 . . . . . . . . B 3 A H2 parsed_1qes 1
37 1 1 . . . . . . . . 1 1 G5' H2' parsed_1qes 1
37 1 2 . . . . . . . . 1 1 G5' H8 parsed_1qes 1
38 1 1 . . . . . . . . 1 2 G H2' parsed_1qes 1
38 1 2 . . . . . . . . 1 2 G H8 parsed_1qes 1
39 1 1 . . . . . . . . 1 3 A H2' parsed_1qes 1
39 1 2 . . . . . . . . 1 3 A H8 parsed_1qes 1
40 1 1 . . . . . . . . 1 4 G H2' parsed_1qes 1
40 1 2 . . . . . . . . 1 4 G H8 parsed_1qes 1
41 1 1 . . . . . . . . 1 6 U H2' parsed_1qes 1
41 1 2 . . . . . . . . 1 6 U H6 parsed_1qes 1
42 1 1 . . . . . . . . 1 7 C H2' parsed_1qes 1
42 1 2 . . . . . . . . 1 7 C H6 parsed_1qes 1
43 1 1 . . . . . . . . 1 8 C3' H2' parsed_1qes 1
43 1 2 . . . . . . . . 1 8 C3' H6 parsed_1qes 1
44 1 1 . . . . . . . . B 1 G5' H2' parsed_1qes 1
44 1 2 . . . . . . . . B 1 G5' H8 parsed_1qes 1
45 1 1 . . . . . . . . B 2 G H2' parsed_1qes 1
45 1 2 . . . . . . . . B 2 G H8 parsed_1qes 1
46 1 1 . . . . . . . . B 3 A H2' parsed_1qes 1
46 1 2 . . . . . . . . B 3 A H8 parsed_1qes 1
47 1 1 . . . . . . . . B 4 G H2' parsed_1qes 1
47 1 2 . . . . . . . . B 4 G H8 parsed_1qes 1
48 1 1 . . . . . . . . B 6 U H2' parsed_1qes 1
48 1 2 . . . . . . . . B 6 U H6 parsed_1qes 1
49 1 1 . . . . . . . . B 7 C H2' parsed_1qes 1
49 1 2 . . . . . . . . B 7 C H6 parsed_1qes 1
50 1 1 . . . . . . . . B 8 C3' H2' parsed_1qes 1
50 1 2 . . . . . . . . B 8 C3' H6 parsed_1qes 1
51 1 1 . . . . . . . . 1 1 G5' H2' parsed_1qes 1
51 1 2 . . . . . . . . 1 2 G H8 parsed_1qes 1
52 1 1 . . . . . . . . 1 2 G H2' parsed_1qes 1
52 1 2 . . . . . . . . 1 3 A H8 parsed_1qes 1
53 1 1 . . . . . . . . 1 3 A H2' parsed_1qes 1
53 1 2 . . . . . . . . 1 4 G H8 parsed_1qes 1
54 1 1 . . . . . . . . 1 4 G H2' parsed_1qes 1
54 1 2 . . . . . . . . 1 5 U H6 parsed_1qes 1
55 1 1 . . . . . . . . 1 5 U H2' parsed_1qes 1
55 1 2 . . . . . . . . 1 6 U H6 parsed_1qes 1
56 1 1 . . . . . . . . 1 6 U H2' parsed_1qes 1
56 1 2 . . . . . . . . 1 7 C H6 parsed_1qes 1
57 1 1 . . . . . . . . 1 7 C H2' parsed_1qes 1
57 1 2 . . . . . . . . 1 8 C3' H6 parsed_1qes 1
58 1 1 . . . . . . . . B 1 G5' H2' parsed_1qes 1
58 1 2 . . . . . . . . B 2 G H8 parsed_1qes 1
59 1 1 . . . . . . . . B 2 G H2' parsed_1qes 1
59 1 2 . . . . . . . . B 3 A H8 parsed_1qes 1
60 1 1 . . . . . . . . B 3 A H2' parsed_1qes 1
60 1 2 . . . . . . . . B 4 G H8 parsed_1qes 1
61 1 1 . . . . . . . . B 4 G H2' parsed_1qes 1
61 1 2 . . . . . . . . B 5 U H6 parsed_1qes 1
62 1 1 . . . . . . . . B 5 U H2' parsed_1qes 1
62 1 2 . . . . . . . . B 6 U H6 parsed_1qes 1
63 1 1 . . . . . . . . B 6 U H2' parsed_1qes 1
63 1 2 . . . . . . . . B 7 C H6 parsed_1qes 1
64 1 1 . . . . . . . . B 7 C H2' parsed_1qes 1
64 1 2 . . . . . . . . B 8 C3' H6 parsed_1qes 1
65 1 1 . . . . . . . . 1 2 G H3' parsed_1qes 1
65 1 2 . . . . . . . . 1 2 G H8 parsed_1qes 1
66 1 1 . . . . . . . . 1 3 A H3' parsed_1qes 1
66 1 2 . . . . . . . . 1 3 A H8 parsed_1qes 1
67 1 1 . . . . . . . . 1 4 G H3' parsed_1qes 1
67 1 2 . . . . . . . . 1 4 G H8 parsed_1qes 1
68 1 1 . . . . . . . . 1 5 U H3' parsed_1qes 1
68 1 2 . . . . . . . . 1 5 U H6 parsed_1qes 1
69 1 1 . . . . . . . . 1 6 U H3' parsed_1qes 1
69 1 2 . . . . . . . . 1 6 U H6 parsed_1qes 1
70 1 1 . . . . . . . . 1 7 C H3' parsed_1qes 1
70 1 2 . . . . . . . . 1 7 C H6 parsed_1qes 1
71 1 1 . . . . . . . . 1 8 C3' H3' parsed_1qes 1
71 1 2 . . . . . . . . 1 8 C3' H6 parsed_1qes 1
72 1 1 . . . . . . . . B 2 G H3' parsed_1qes 1
72 1 2 . . . . . . . . B 2 G H8 parsed_1qes 1
73 1 1 . . . . . . . . B 3 A H3' parsed_1qes 1
73 1 2 . . . . . . . . B 3 A H8 parsed_1qes 1
74 1 1 . . . . . . . . B 4 G H3' parsed_1qes 1
74 1 2 . . . . . . . . B 4 G H8 parsed_1qes 1
75 1 1 . . . . . . . . B 5 U H3' parsed_1qes 1
75 1 2 . . . . . . . . B 5 U H6 parsed_1qes 1
76 1 1 . . . . . . . . B 6 U H3' parsed_1qes 1
76 1 2 . . . . . . . . B 6 U H6 parsed_1qes 1
77 1 1 . . . . . . . . B 7 C H3' parsed_1qes 1
77 1 2 . . . . . . . . B 7 C H6 parsed_1qes 1
78 1 1 . . . . . . . . B 8 C3' H3' parsed_1qes 1
78 1 2 . . . . . . . . B 8 C3' H6 parsed_1qes 1
79 1 1 . . . . . . . . 1 2 G H4' parsed_1qes 1
79 1 2 . . . . . . . . 1 2 G H8 parsed_1qes 1
80 1 1 . . . . . . . . 1 3 A H4' parsed_1qes 1
80 1 2 . . . . . . . . 1 3 A H8 parsed_1qes 1
81 1 1 . . . . . . . . 1 4 G H4' parsed_1qes 1
81 1 2 . . . . . . . . 1 4 G H8 parsed_1qes 1
82 1 1 . . . . . . . . 1 5 U H4' parsed_1qes 1
82 1 2 . . . . . . . . 1 5 U H6 parsed_1qes 1
83 1 1 . . . . . . . . 1 6 U H4' parsed_1qes 1
83 1 2 . . . . . . . . 1 6 U H6 parsed_1qes 1
84 1 1 . . . . . . . . B 2 G H4' parsed_1qes 1
84 1 2 . . . . . . . . B 2 G H8 parsed_1qes 1
85 1 1 . . . . . . . . B 3 A H4' parsed_1qes 1
85 1 2 . . . . . . . . B 3 A H8 parsed_1qes 1
86 1 1 . . . . . . . . B 4 G H4' parsed_1qes 1
86 1 2 . . . . . . . . B 4 G H8 parsed_1qes 1
87 1 1 . . . . . . . . B 5 U H4' parsed_1qes 1
87 1 2 . . . . . . . . B 5 U H6 parsed_1qes 1
88 1 1 . . . . . . . . B 6 U H4' parsed_1qes 1
88 1 2 . . . . . . . . B 6 U H6 parsed_1qes 1
89 1 1 . . . . . . . . 1 4 G H5'1 parsed_1qes 1
89 1 2 . . . . . . . . 1 4 G H8 parsed_1qes 1
90 1 1 . . . . . . . . B 4 G H5'1 parsed_1qes 1
90 1 2 . . . . . . . . B 4 G H8 parsed_1qes 1
91 1 1 . . . . . . . . 1 4 G H5'1 parsed_1qes 1
91 1 2 . . . . . . . . 1 4 G H1' parsed_1qes 1
92 1 1 . . . . . . . . B 4 G H5'1 parsed_1qes 1
92 1 2 . . . . . . . . B 4 G H1' parsed_1qes 1
93 1 1 . . . . . . . . 1 1 G5' H3' parsed_1qes 1
93 1 2 . . . . . . . . 1 2 G H8 parsed_1qes 1
94 1 1 . . . . . . . . 1 4 G H3' parsed_1qes 1
94 1 2 . . . . . . . . 1 5 U H6 parsed_1qes 1
95 1 1 . . . . . . . . 1 7 C H3' parsed_1qes 1
95 1 2 . . . . . . . . 1 8 C3' H6 parsed_1qes 1
96 1 1 . . . . . . . . B 1 G5' H3' parsed_1qes 1
96 1 2 . . . . . . . . B 2 G H8 parsed_1qes 1
97 1 1 . . . . . . . . B 4 G H3' parsed_1qes 1
97 1 2 . . . . . . . . B 5 U H6 parsed_1qes 1
98 1 1 . . . . . . . . B 7 C H3' parsed_1qes 1
98 1 2 . . . . . . . . B 8 C3' H6 parsed_1qes 1
99 1 1 . . . . . . . . 1 1 G5' H2' parsed_1qes 1
99 1 2 . . . . . . . . 1 1 G5' H1' parsed_1qes 1
100 1 1 . . . . . . . . 1 2 G H2' parsed_1qes 1
100 1 2 . . . . . . . . 1 2 G H1' parsed_1qes 1
101 1 1 . . . . . . . . 1 3 A H2' parsed_1qes 1
101 1 2 . . . . . . . . 1 3 A H1' parsed_1qes 1
102 1 1 . . . . . . . . 1 4 G H2' parsed_1qes 1
102 1 2 . . . . . . . . 1 4 G H1' parsed_1qes 1
103 1 1 . . . . . . . . 1 5 U H2' parsed_1qes 1
103 1 2 . . . . . . . . 1 5 U H1' parsed_1qes 1
104 1 1 . . . . . . . . 1 6 U H2' parsed_1qes 1
104 1 2 . . . . . . . . 1 6 U H1' parsed_1qes 1
105 1 1 . . . . . . . . 1 7 C H2' parsed_1qes 1
105 1 2 . . . . . . . . 1 7 C H1' parsed_1qes 1
106 1 1 . . . . . . . . 1 8 C3' H2' parsed_1qes 1
106 1 2 . . . . . . . . 1 8 C3' H1' parsed_1qes 1
107 1 1 . . . . . . . . B 1 G5' H2' parsed_1qes 1
107 1 2 . . . . . . . . B 1 G5' H1' parsed_1qes 1
108 1 1 . . . . . . . . B 2 G H2' parsed_1qes 1
108 1 2 . . . . . . . . B 2 G H1' parsed_1qes 1
109 1 1 . . . . . . . . B 3 A H2' parsed_1qes 1
109 1 2 . . . . . . . . B 3 A H1' parsed_1qes 1
110 1 1 . . . . . . . . B 4 G H2' parsed_1qes 1
110 1 2 . . . . . . . . B 4 G H1' parsed_1qes 1
111 1 1 . . . . . . . . B 5 U H2' parsed_1qes 1
111 1 2 . . . . . . . . B 5 U H1' parsed_1qes 1
112 1 1 . . . . . . . . B 6 U H2' parsed_1qes 1
112 1 2 . . . . . . . . B 6 U H1' parsed_1qes 1
113 1 1 . . . . . . . . B 7 C H2' parsed_1qes 1
113 1 2 . . . . . . . . B 7 C H1' parsed_1qes 1
114 1 1 . . . . . . . . B 8 C3' H2' parsed_1qes 1
114 1 2 . . . . . . . . B 8 C3' H1' parsed_1qes 1
115 1 1 . . . . . . . . 1 1 G5' H2' parsed_1qes 1
115 1 2 . . . . . . . . 1 2 G H1' parsed_1qes 1
116 1 1 . . . . . . . . 1 2 G H2' parsed_1qes 1
116 1 2 . . . . . . . . 1 3 A H1' parsed_1qes 1
117 1 1 . . . . . . . . 1 3 A H2' parsed_1qes 1
117 1 2 . . . . . . . . 1 4 G H1' parsed_1qes 1
118 1 1 . . . . . . . . 1 4 G H2' parsed_1qes 1
118 1 2 . . . . . . . . 1 5 U H1' parsed_1qes 1
119 1 1 . . . . . . . . 1 5 U H2' parsed_1qes 1
119 1 2 . . . . . . . . 1 6 U H1' parsed_1qes 1
120 1 1 . . . . . . . . 1 6 U H2' parsed_1qes 1
120 1 2 . . . . . . . . 1 7 C H1' parsed_1qes 1
121 1 1 . . . . . . . . 1 7 C H2' parsed_1qes 1
121 1 2 . . . . . . . . 1 8 C3' H1' parsed_1qes 1
122 1 1 . . . . . . . . B 1 G5' H2' parsed_1qes 1
122 1 2 . . . . . . . . B 2 G H1' parsed_1qes 1
123 1 1 . . . . . . . . B 2 G H2' parsed_1qes 1
123 1 2 . . . . . . . . B 3 A H1' parsed_1qes 1
124 1 1 . . . . . . . . B 3 A H2' parsed_1qes 1
124 1 2 . . . . . . . . B 4 G H1' parsed_1qes 1
125 1 1 . . . . . . . . B 4 G H2' parsed_1qes 1
125 1 2 . . . . . . . . B 5 U H1' parsed_1qes 1
126 1 1 . . . . . . . . B 5 U H2' parsed_1qes 1
126 1 2 . . . . . . . . B 6 U H1' parsed_1qes 1
127 1 1 . . . . . . . . B 6 U H2' parsed_1qes 1
127 1 2 . . . . . . . . B 7 C H1' parsed_1qes 1
128 1 1 . . . . . . . . B 7 C H2' parsed_1qes 1
128 1 2 . . . . . . . . B 8 C3' H1' parsed_1qes 1
129 1 1 . . . . . . . . 1 2 G H3' parsed_1qes 1
129 1 2 . . . . . . . . 1 2 G H1' parsed_1qes 1
130 1 1 . . . . . . . . 1 4 G H3' parsed_1qes 1
130 1 2 . . . . . . . . 1 4 G H1' parsed_1qes 1
131 1 1 . . . . . . . . 1 5 U H3' parsed_1qes 1
131 1 2 . . . . . . . . 1 5 U H1' parsed_1qes 1
132 1 1 . . . . . . . . 1 7 C H3' parsed_1qes 1
132 1 2 . . . . . . . . 1 7 C H1' parsed_1qes 1
133 1 1 . . . . . . . . 1 8 C3' H3' parsed_1qes 1
133 1 2 . . . . . . . . 1 8 C3' H1' parsed_1qes 1
134 1 1 . . . . . . . . B 2 G H3' parsed_1qes 1
134 1 2 . . . . . . . . B 2 G H1' parsed_1qes 1
135 1 1 . . . . . . . . B 4 G H3' parsed_1qes 1
135 1 2 . . . . . . . . B 4 G H1' parsed_1qes 1
136 1 1 . . . . . . . . B 5 U H3' parsed_1qes 1
136 1 2 . . . . . . . . B 5 U H1' parsed_1qes 1
137 1 1 . . . . . . . . B 7 C H3' parsed_1qes 1
137 1 2 . . . . . . . . B 7 C H1' parsed_1qes 1
138 1 1 . . . . . . . . B 8 C3' H3' parsed_1qes 1
138 1 2 . . . . . . . . B 8 C3' H1' parsed_1qes 1
139 1 1 . . . . . . . . 1 2 G H4' parsed_1qes 1
139 1 2 . . . . . . . . 1 2 G H1' parsed_1qes 1
140 1 1 . . . . . . . . 1 3 A H4' parsed_1qes 1
140 1 2 . . . . . . . . 1 3 A H1' parsed_1qes 1
141 1 1 . . . . . . . . 1 4 G H4' parsed_1qes 1
141 1 2 . . . . . . . . 1 4 G H1' parsed_1qes 1
142 1 1 . . . . . . . . 1 5 U H4' parsed_1qes 1
142 1 2 . . . . . . . . 1 5 U H1' parsed_1qes 1
143 1 1 . . . . . . . . 1 6 U H4' parsed_1qes 1
143 1 2 . . . . . . . . 1 6 U H1' parsed_1qes 1
144 1 1 . . . . . . . . 1 7 C H4' parsed_1qes 1
144 1 2 . . . . . . . . 1 7 C H1' parsed_1qes 1
145 1 1 . . . . . . . . 1 8 C3' H4' parsed_1qes 1
145 1 2 . . . . . . . . 1 8 C3' H1' parsed_1qes 1
146 1 1 . . . . . . . . B 2 G H4' parsed_1qes 1
146 1 2 . . . . . . . . B 2 G H1' parsed_1qes 1
147 1 1 . . . . . . . . B 3 A H4' parsed_1qes 1
147 1 2 . . . . . . . . B 3 A H1' parsed_1qes 1
148 1 1 . . . . . . . . B 4 G H4' parsed_1qes 1
148 1 2 . . . . . . . . B 4 G H1' parsed_1qes 1
149 1 1 . . . . . . . . B 5 U H4' parsed_1qes 1
149 1 2 . . . . . . . . B 5 U H1' parsed_1qes 1
150 1 1 . . . . . . . . B 6 U H4' parsed_1qes 1
150 1 2 . . . . . . . . B 6 U H1' parsed_1qes 1
151 1 1 . . . . . . . . B 7 C H4' parsed_1qes 1
151 1 2 . . . . . . . . B 7 C H1' parsed_1qes 1
152 1 1 . . . . . . . . B 8 C3' H4' parsed_1qes 1
152 1 2 . . . . . . . . B 8 C3' H1' parsed_1qes 1
153 1 1 . . . . . . . . 1 4 G H3' parsed_1qes 1
153 1 2 . . . . . . . . 1 3 A H2' parsed_1qes 1
154 1 1 . . . . . . . . 1 4 G H3' parsed_1qes 1
154 1 2 . . . . . . . . 1 4 G H2' parsed_1qes 1
155 1 1 . . . . . . . . 1 1 G5' H3' parsed_1qes 1
155 1 2 . . . . . . . . 1 1 G5' H2' parsed_1qes 1
156 1 1 . . . . . . . . B 4 G H3' parsed_1qes 1
156 1 2 . . . . . . . . B 3 A H2' parsed_1qes 1
157 1 1 . . . . . . . . B 4 G H3' parsed_1qes 1
157 1 2 . . . . . . . . B 4 G H2' parsed_1qes 1
158 1 1 . . . . . . . . B 1 G5' H3' parsed_1qes 1
158 1 2 . . . . . . . . B 1 G5' H2' parsed_1qes 1
159 1 1 . . . . . . . . 1 4 G H4' parsed_1qes 1
159 1 2 . . . . . . . . 1 4 G H2' parsed_1qes 1
160 1 1 . . . . . . . . 1 5 U H4' parsed_1qes 1
160 1 2 . . . . . . . . 1 4 G H2' parsed_1qes 1
161 1 1 . . . . . . . . B 4 G H4' parsed_1qes 1
161 1 2 . . . . . . . . B 4 G H2' parsed_1qes 1
162 1 1 . . . . . . . . B 5 U H4' parsed_1qes 1
162 1 2 . . . . . . . . B 4 G H2' parsed_1qes 1
163 1 1 . . . . . . . . 1 4 G H5'1 parsed_1qes 1
163 1 2 . . . . . . . . 1 3 A H2' parsed_1qes 1
164 1 1 . . . . . . . . B 4 G H5'1 parsed_1qes 1
164 1 2 . . . . . . . . B 3 A H2' parsed_1qes 1
165 1 1 . . . . . . . . 1 5 U H1' parsed_1qes 1
165 1 2 . . . . . . . . 1 6 U H5 parsed_1qes 1
166 1 1 . . . . . . . . 1 4 G H2' parsed_1qes 1
166 1 2 . . . . . . . . 1 5 U H5 parsed_1qes 1
167 1 1 . . . . . . . . 1 6 U H2' parsed_1qes 1
167 1 2 . . . . . . . . 1 7 C H5 parsed_1qes 1
168 1 1 . . . . . . . . 1 7 C H2' parsed_1qes 1
168 1 2 . . . . . . . . 1 8 C3' H5 parsed_1qes 1
169 1 1 . . . . . . . . 1 8 C3' H2' parsed_1qes 1
169 1 2 . . . . . . . . 1 8 C3' H5 parsed_1qes 1
170 1 1 . . . . . . . . 1 4 G H3' parsed_1qes 1
170 1 2 . . . . . . . . 1 5 U H5 parsed_1qes 1
171 1 1 . . . . . . . . 1 7 C H3' parsed_1qes 1
171 1 2 . . . . . . . . 1 7 C H5 parsed_1qes 1
172 1 1 . . . . . . . . 1 8 C3' H3' parsed_1qes 1
172 1 2 . . . . . . . . 1 8 C3' H5 parsed_1qes 1
173 1 1 . . . . . . . . B 5 U H1' parsed_1qes 1
173 1 2 . . . . . . . . B 6 U H5 parsed_1qes 1
174 1 1 . . . . . . . . B 4 G H2' parsed_1qes 1
174 1 2 . . . . . . . . B 5 U H5 parsed_1qes 1
175 1 1 . . . . . . . . B 6 U H2' parsed_1qes 1
175 1 2 . . . . . . . . B 7 C H5 parsed_1qes 1
176 1 1 . . . . . . . . B 7 C H2' parsed_1qes 1
176 1 2 . . . . . . . . B 8 C3' H5 parsed_1qes 1
177 1 1 . . . . . . . . B 8 C3' H2' parsed_1qes 1
177 1 2 . . . . . . . . B 8 C3' H5 parsed_1qes 1
178 1 1 . . . . . . . . B 4 G H3' parsed_1qes 1
178 1 2 . . . . . . . . B 5 U H5 parsed_1qes 1
179 1 1 . . . . . . . . B 7 C H3' parsed_1qes 1
179 1 2 . . . . . . . . B 7 C H5 parsed_1qes 1
180 1 1 . . . . . . . . B 8 C3' H3' parsed_1qes 1
180 1 2 . . . . . . . . B 8 C3' H5 parsed_1qes 1
181 1 1 . . . . . . . . 1 5 U H5 parsed_1qes 1
181 1 2 . . . . . . . . 1 4 G H8 parsed_1qes 1
182 1 1 . . . . . . . . 1 7 C H5 parsed_1qes 1
182 1 2 . . . . . . . . 1 6 U H6 parsed_1qes 1
183 1 1 . . . . . . . . 1 8 C3' H5 parsed_1qes 1
183 1 2 . . . . . . . . 1 7 C H6 parsed_1qes 1
184 1 1 . . . . . . . . B 5 U H5 parsed_1qes 1
184 1 2 . . . . . . . . B 4 G H8 parsed_1qes 1
185 1 1 . . . . . . . . B 7 C H5 parsed_1qes 1
185 1 2 . . . . . . . . B 6 U H6 parsed_1qes 1
186 1 1 . . . . . . . . B 8 C3' H5 parsed_1qes 1
186 1 2 . . . . . . . . B 7 C H6 parsed_1qes 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 2.830 4.240 parsed_1qes 1
2 1 . . . . . . 2.960 4.440 parsed_1qes 1
3 1 . . . . . . 2.730 4.100 parsed_1qes 1
4 1 . . . . . . 2.930 4.390 parsed_1qes 1
5 1 . . . . . . 2.590 3.890 parsed_1qes 1
6 1 . . . . . . 2.680 4.020 parsed_1qes 1
7 1 . . . . . . 2.590 3.880 parsed_1qes 1
8 1 . . . . . . 2.790 4.190 parsed_1qes 1
9 1 . . . . . . 2.830 4.240 parsed_1qes 1
10 1 . . . . . . 2.960 4.440 parsed_1qes 1
11 1 . . . . . . 2.730 4.100 parsed_1qes 1
12 1 . . . . . . 2.930 4.390 parsed_1qes 1
13 1 . . . . . . 2.590 3.890 parsed_1qes 1
14 1 . . . . . . 2.680 4.020 parsed_1qes 1
15 1 . . . . . . 2.590 3.880 parsed_1qes 1
16 1 . . . . . . 2.790 4.190 parsed_1qes 1
17 1 . . . . . . 2.810 4.220 parsed_1qes 1
18 1 . . . . . . 2.650 3.970 parsed_1qes 1
19 1 . . . . . . 3.240 4.870 parsed_1qes 1
20 1 . . . . . . 2.760 4.140 parsed_1qes 1
21 1 . . . . . . 2.620 3.930 parsed_1qes 1
22 1 . . . . . . 2.188 4.063 parsed_1qes 1
23 1 . . . . . . 2.720 4.080 parsed_1qes 1
24 1 . . . . . . 2.810 4.220 parsed_1qes 1
25 1 . . . . . . 2.650 3.970 parsed_1qes 1
26 1 . . . . . . 3.240 4.870 parsed_1qes 1
27 1 . . . . . . 2.760 4.140 parsed_1qes 1
28 1 . . . . . . 2.620 3.930 parsed_1qes 1
29 1 . . . . . . 2.188 4.063 parsed_1qes 1
30 1 . . . . . . 2.720 4.080 parsed_1qes 1
31 1 . . . . . . 2.460 3.680 parsed_1qes 1
32 1 . . . . . . 2.240 3.360 parsed_1qes 1
33 1 . . . . . . 3.000 5.000 parsed_1qes 1
34 1 . . . . . . 2.460 3.680 parsed_1qes 1
35 1 . . . . . . 2.240 3.360 parsed_1qes 1
36 1 . . . . . . 3.000 5.000 parsed_1qes 1
37 1 . . . . . . 3.030 4.540 parsed_1qes 1
38 1 . . . . . . 2.760 4.140 parsed_1qes 1
39 1 . . . . . . 2.000 4.500 parsed_1qes 1
40 1 . . . . . . 3.120 4.680 parsed_1qes 1
41 1 . . . . . . 1.900 4.500 parsed_1qes 1
42 1 . . . . . . 2.510 3.760 parsed_1qes 1
43 1 . . . . . . 2.240 3.360 parsed_1qes 1
44 1 . . . . . . 3.030 4.540 parsed_1qes 1
45 1 . . . . . . 2.760 4.140 parsed_1qes 1
46 1 . . . . . . 2.000 4.500 parsed_1qes 1
47 1 . . . . . . 3.120 4.680 parsed_1qes 1
48 1 . . . . . . 1.900 4.500 parsed_1qes 1
49 1 . . . . . . 2.510 3.760 parsed_1qes 1
50 1 . . . . . . 2.240 3.360 parsed_1qes 1
51 1 . . . . . . 1.930 2.900 parsed_1qes 1
52 1 . . . . . . 1.890 2.840 parsed_1qes 1
53 1 . . . . . . 2.100 3.160 parsed_1qes 1
54 1 . . . . . . 2.070 3.110 parsed_1qes 1
55 1 . . . . . . 2.000 3.010 parsed_1qes 1
56 1 . . . . . . 1.830 2.740 parsed_1qes 1
57 1 . . . . . . 1.920 2.880 parsed_1qes 1
58 1 . . . . . . 1.930 2.900 parsed_1qes 1
59 1 . . . . . . 1.890 2.840 parsed_1qes 1
60 1 . . . . . . 2.100 3.160 parsed_1qes 1
61 1 . . . . . . 2.070 3.110 parsed_1qes 1
62 1 . . . . . . 2.000 3.010 parsed_1qes 1
63 1 . . . . . . 1.830 2.740 parsed_1qes 1
64 1 . . . . . . 1.920 2.880 parsed_1qes 1
65 1 . . . . . . 2.120 3.180 parsed_1qes 1
66 1 . . . . . . 2.090 3.140 parsed_1qes 1
67 1 . . . . . . 2.170 3.260 parsed_1qes 1
68 1 . . . . . . 2.170 3.250 parsed_1qes 1
69 1 . . . . . . 1.000 4.500 parsed_1qes 1
70 1 . . . . . . 2.010 3.010 parsed_1qes 1
71 1 . . . . . . 1.950 2.930 parsed_1qes 1
72 1 . . . . . . 2.120 3.180 parsed_1qes 1
73 1 . . . . . . 2.090 3.140 parsed_1qes 1
74 1 . . . . . . 2.170 3.260 parsed_1qes 1
75 1 . . . . . . 2.170 3.250 parsed_1qes 1
76 1 . . . . . . 1.000 4.500 parsed_1qes 1
77 1 . . . . . . 2.010 3.010 parsed_1qes 1
78 1 . . . . . . 1.950 2.930 parsed_1qes 1
79 1 . . . . . . 2.190 4.070 parsed_1qes 1
80 1 . . . . . . 2.670 4.000 parsed_1qes 1
81 1 . . . . . . 3.790 5.680 parsed_1qes 1
82 1 . . . . . . 2.230 4.150 parsed_1qes 1
83 1 . . . . . . 2.950 4.430 parsed_1qes 1
84 1 . . . . . . 2.190 4.070 parsed_1qes 1
85 1 . . . . . . 2.670 4.000 parsed_1qes 1
86 1 . . . . . . 3.790 5.680 parsed_1qes 1
87 1 . . . . . . 2.230 4.150 parsed_1qes 1
88 1 . . . . . . 2.950 4.430 parsed_1qes 1
89 1 . . . . . . 2.640 3.960 parsed_1qes 1
90 1 . . . . . . 2.640 3.960 parsed_1qes 1
91 1 . . . . . . 2.900 4.350 parsed_1qes 1
92 1 . . . . . . 2.900 4.350 parsed_1qes 1
93 1 . . . . . . 2.260 4.190 parsed_1qes 1
94 1 . . . . . . 2.200 3.300 parsed_1qes 1
95 1 . . . . . . 2.190 4.070 parsed_1qes 1
96 1 . . . . . . 2.260 4.190 parsed_1qes 1
97 1 . . . . . . 2.200 3.300 parsed_1qes 1
98 1 . . . . . . 2.190 4.070 parsed_1qes 1
99 1 . . . . . . 2.330 3.490 parsed_1qes 1
100 1 . . . . . . 2.050 3.070 parsed_1qes 1
101 1 . . . . . . 1.900 2.840 parsed_1qes 1
102 1 . . . . . . 2.090 3.140 parsed_1qes 1
103 1 . . . . . . 2.090 3.140 parsed_1qes 1
104 1 . . . . . . 1.638 3.042 parsed_1qes 1
105 1 . . . . . . 1.950 3.630 parsed_1qes 1
106 1 . . . . . . 1.930 2.890 parsed_1qes 1
107 1 . . . . . . 2.330 3.490 parsed_1qes 1
108 1 . . . . . . 2.050 3.070 parsed_1qes 1
109 1 . . . . . . 1.900 2.840 parsed_1qes 1
110 1 . . . . . . 2.090 3.140 parsed_1qes 1
111 1 . . . . . . 2.090 3.140 parsed_1qes 1
112 1 . . . . . . 1.638 3.042 parsed_1qes 1
113 1 . . . . . . 1.950 3.630 parsed_1qes 1
114 1 . . . . . . 1.930 2.890 parsed_1qes 1
115 1 . . . . . . 3.370 5.050 parsed_1qes 1
116 1 . . . . . . 2.820 4.230 parsed_1qes 1
117 1 . . . . . . 2.930 4.390 parsed_1qes 1
118 1 . . . . . . 2.650 3.970 parsed_1qes 1
119 1 . . . . . . 2.000 5.000 parsed_1qes 1
120 1 . . . . . . 2.000 4.500 parsed_1qes 1
121 1 . . . . . . 2.770 4.160 parsed_1qes 1
122 1 . . . . . . 3.370 5.050 parsed_1qes 1
123 1 . . . . . . 2.820 4.230 parsed_1qes 1
124 1 . . . . . . 2.930 4.390 parsed_1qes 1
125 1 . . . . . . 2.650 3.970 parsed_1qes 1
126 1 . . . . . . 2.500 5.000 parsed_1qes 1
127 1 . . . . . . 2.000 4.500 parsed_1qes 1
128 1 . . . . . . 2.770 4.160 parsed_1qes 1
129 1 . . . . . . 2.420 3.630 parsed_1qes 1
130 1 . . . . . . 2.680 4.020 parsed_1qes 1
131 1 . . . . . . 2.430 3.640 parsed_1qes 1
132 1 . . . . . . 2.210 4.100 parsed_1qes 1
133 1 . . . . . . 2.000 4.000 parsed_1qes 1
134 1 . . . . . . 2.420 3.630 parsed_1qes 1
135 1 . . . . . . 2.680 4.020 parsed_1qes 1
136 1 . . . . . . 2.430 3.640 parsed_1qes 1
137 1 . . . . . . 2.210 4.100 parsed_1qes 1
138 1 . . . . . . 2.500 4.000 parsed_1qes 1
139 1 . . . . . . 2.700 4.050 parsed_1qes 1
140 1 . . . . . . 2.660 3.990 parsed_1qes 1
141 1 . . . . . . 2.470 4.000 parsed_1qes 1
142 1 . . . . . . 2.500 3.740 parsed_1qes 1
143 1 . . . . . . 2.060 3.090 parsed_1qes 1
144 1 . . . . . . 2.140 3.980 parsed_1qes 1
145 1 . . . . . . 2.390 3.580 parsed_1qes 1
146 1 . . . . . . 2.700 4.050 parsed_1qes 1
147 1 . . . . . . 2.660 3.990 parsed_1qes 1
148 1 . . . . . . 2.470 4.000 parsed_1qes 1
149 1 . . . . . . 2.500 3.740 parsed_1qes 1
150 1 . . . . . . 2.060 3.090 parsed_1qes 1
151 1 . . . . . . 2.140 3.980 parsed_1qes 1
152 1 . . . . . . 2.390 3.580 parsed_1qes 1
153 1 . . . . . . 2.380 3.570 parsed_1qes 1
154 1 . . . . . . 2.120 3.190 parsed_1qes 1
155 1 . . . . . . 2.390 3.580 parsed_1qes 1
156 1 . . . . . . 2.380 3.570 parsed_1qes 1
157 1 . . . . . . 2.120 3.190 parsed_1qes 1
158 1 . . . . . . 2.390 3.580 parsed_1qes 1
159 1 . . . . . . 2.260 3.400 parsed_1qes 1
160 1 . . . . . . 2.390 3.590 parsed_1qes 1
161 1 . . . . . . 2.260 3.400 parsed_1qes 1
162 1 . . . . . . 2.390 3.590 parsed_1qes 1
163 1 . . . . . . 2.600 3.900 parsed_1qes 1
164 1 . . . . . . 2.600 3.900 parsed_1qes 1
165 1 . . . . . . 2.500 3.760 parsed_1qes 1
166 1 . . . . . . 2.260 3.400 parsed_1qes 1
167 1 . . . . . . 2.250 3.370 parsed_1qes 1
168 1 . . . . . . 2.470 3.700 parsed_1qes 1
169 1 . . . . . . 3.610 5.420 parsed_1qes 1
170 1 . . . . . . 2.460 3.680 parsed_1qes 1
171 1 . . . . . . 3.250 4.870 parsed_1qes 1
172 1 . . . . . . 3.090 4.630 parsed_1qes 1
173 1 . . . . . . 2.500 3.760 parsed_1qes 1
174 1 . . . . . . 2.260 3.400 parsed_1qes 1
175 1 . . . . . . 2.250 3.370 parsed_1qes 1
176 1 . . . . . . 2.470 3.700 parsed_1qes 1
177 1 . . . . . . 3.610 5.420 parsed_1qes 1
178 1 . . . . . . 2.460 3.680 parsed_1qes 1
179 1 . . . . . . 3.250 4.870 parsed_1qes 1
180 1 . . . . . . 3.090 4.630 parsed_1qes 1
181 1 . . . . . . 2.860 4.280 parsed_1qes 1
182 1 . . . . . . 3.060 4.600 parsed_1qes 1
183 1 . . . . . . 2.970 4.460 parsed_1qes 1
184 1 . . . . . . 2.860 4.280 parsed_1qes 1
185 1 . . . . . . 3.060 4.600 parsed_1qes 1
186 1 . . . . . . 2.970 4.460 parsed_1qes 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
Restraint Set for r(GGAGUUCC)2
distance
------------------------------------
Intranucleotide H1'-Base
------------------------------------
;
1 1 8 37 parsed_1qes 1
2 ================================ 17 1 17 33 parsed_1qes 1
3
;
------------------------------------
Internucleotide H1'-Base
------------------------------------
;
26 1 28 37 parsed_1qes 1
4 ================================ 36 1 36 33 parsed_1qes 1
5
;
------------------------------------
Internucleotide H1'-Base H2
------------------------------------
;
44 1 46 37 parsed_1qes 1
6 ================================ 50 1 50 33 parsed_1qes 1
7
;
------------------------------------
Intranucleotide H2'-Base
------------------------------------
;
54 1 56 37 parsed_1qes 1
8 ================================ 64 1 64 33 parsed_1qes 1
9
;
------------------------------------
Internucleotide H2'-Base
------------------------------------
;
72 1 74 37 parsed_1qes 1
10 ================================ 82 1 82 33 parsed_1qes 1
11
;
------------------------------------
Intranucleotide H3'-Base
------------------------------------
;
90 1 92 37 parsed_1qes 1
12 ================================ 100 1 100 33 parsed_1qes 1
13
;
------------------------------------
Intranucleotide H4'-Base
------------------------------------
;
108 1 110 37 parsed_1qes 1
14 ================================ 116 1 116 33 parsed_1qes 1
15
;
------------------------------------
Intranucleotide H5'/Base
------------------------------------
;
122 1 124 37 parsed_1qes 1
16 ================================ 126 1 126 33 parsed_1qes 1
17
;
------------------------------------
Intranucleotide H5'/H1'
------------------------------------
;
128 1 130 37 parsed_1qes 1
18 ================================ 132 1 132 33 parsed_1qes 1
19
;
------------------------------------
Internucleotide H3'-Base
------------------------------------
;
134 1 136 37 parsed_1qes 1
20 ================================ 140 1 140 33 parsed_1qes 1
21
;
------------------------------------
Intranucleotide H2'/H1'
------------------------------------
;
144 1 146 37 parsed_1qes 1
22 ================================ 155 1 155 33 parsed_1qes 1
23
;
------------------------------------
Internucleotide H2'/H1'
------------------------------------
;
164 1 166 37 parsed_1qes 1
24 ================================ 174 1 174 33 parsed_1qes 1
25
;
------------------------------------
Intranucleotide H3'/H1'
------------------------------------
;
182 1 184 37 parsed_1qes 1
26 ================================ 190 1 190 33 parsed_1qes 1
27
;
------------------------------------
Intranucleotide H4'/H1'
------------------------------------
;
196 1 198 37 parsed_1qes 1
28 ================================ 206 1 206 33 parsed_1qes 1
29
;
------------------------------------
Internucleotide H3'/H2'
------------------------------------
;
214 1 216 37 parsed_1qes 1
30 ================================ 220 1 220 33 parsed_1qes 1
31
;
------------------------------------
Internucleotide H4'/H2'
------------------------------------
;
224 1 226 37 parsed_1qes 1
32 ================================ 229 1 229 33 parsed_1qes 1
33
;
------------------------------------
Internucleotide H5'/H2'
------------------------------------
;
232 1 234 37 parsed_1qes 1
34 ================================ 236 1 236 33 parsed_1qes 1
35
;
------------------------------------
Internucleotide H5/Sugar
------------------------------------
;
238 1 240 37 parsed_1qes 1
36 ================================ 249 1 249 33 parsed_1qes 1
37
;
------------------------------------
Internucleotide 5-Base
------------------------------------
;
258 1 260 37 parsed_1qes 1
38 ================================ 264 1 264 33 parsed_1qes 1
stop_
save_
save_Discover_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1qes
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_1qes 2
2 1 . . . parsed_1qes 2
3 1 . . . parsed_1qes 2
4 1 . . . parsed_1qes 2
5 1 . . . parsed_1qes 2
6 1 . . . parsed_1qes 2
7 1 . . . parsed_1qes 2
8 1 . . . parsed_1qes 2
9 1 . . . parsed_1qes 2
10 1 . . . parsed_1qes 2
11 1 . . . parsed_1qes 2
12 1 . . . parsed_1qes 2
13 1 . . . parsed_1qes 2
14 1 . . . parsed_1qes 2
15 1 . . . parsed_1qes 2
16 1 . . . parsed_1qes 2
17 1 . . . parsed_1qes 2
18 1 . . . parsed_1qes 2
19 1 . . . parsed_1qes 2
20 1 . . . parsed_1qes 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 . . . . . . . . 1 1 G5' O6 parsed_1qes 2
1 1 2 . . . . . . . . B 8 C3' H42 parsed_1qes 2
2 1 1 . . . . . . . . 1 1 G5' H1 parsed_1qes 2
2 1 2 . . . . . . . . B 8 C3' N3 parsed_1qes 2
3 1 1 . . . . . . . . 1 1 G5' H22 parsed_1qes 2
3 1 2 . . . . . . . . B 8 C3' O2 parsed_1qes 2
4 1 1 . . . . . . . . B 1 G5' O6 parsed_1qes 2
4 1 2 . . . . . . . . 1 8 C3' H42 parsed_1qes 2
5 1 1 . . . . . . . . B 1 G5' H1 parsed_1qes 2
5 1 2 . . . . . . . . 1 8 C3' N3 parsed_1qes 2
6 1 1 . . . . . . . . B 1 G5' H22 parsed_1qes 2
6 1 2 . . . . . . . . 1 8 C3' O2 parsed_1qes 2
7 1 1 . . . . . . . . 1 2 G O6 parsed_1qes 2
7 1 2 . . . . . . . . B 7 C H42 parsed_1qes 2
8 1 1 . . . . . . . . 1 2 G H1 parsed_1qes 2
8 1 2 . . . . . . . . B 7 C N3 parsed_1qes 2
9 1 1 . . . . . . . . 1 2 G H22 parsed_1qes 2
9 1 2 . . . . . . . . B 7 C O2 parsed_1qes 2
10 1 1 . . . . . . . . B 2 G O6 parsed_1qes 2
10 1 2 . . . . . . . . 1 7 C H42 parsed_1qes 2
11 1 1 . . . . . . . . B 2 G H1 parsed_1qes 2
11 1 2 . . . . . . . . 1 7 C N3 parsed_1qes 2
12 1 1 . . . . . . . . B 2 G H22 parsed_1qes 2
12 1 2 . . . . . . . . 1 7 C O2 parsed_1qes 2
13 1 1 . . . . . . . . 1 3 A N1 parsed_1qes 2
13 1 2 . . . . . . . . B 6 U H3 parsed_1qes 2
14 1 1 . . . . . . . . 1 3 A H61 parsed_1qes 2
14 1 2 . . . . . . . . B 6 U O4 parsed_1qes 2
15 1 1 . . . . . . . . B 3 A N1 parsed_1qes 2
15 1 2 . . . . . . . . 1 6 U H3 parsed_1qes 2
16 1 1 . . . . . . . . B 3 A H61 parsed_1qes 2
16 1 2 . . . . . . . . 1 6 U O4 parsed_1qes 2
17 1 1 . . . . . . . . 1 4 G O6 parsed_1qes 2
17 1 2 . . . . . . . . B 5 U H3 parsed_1qes 2
18 1 1 . . . . . . . . 1 4 G H1 parsed_1qes 2
18 1 2 . . . . . . . . B 5 U O2 parsed_1qes 2
19 1 1 . . . . . . . . B 4 G O6 parsed_1qes 2
19 1 2 . . . . . . . . 1 5 U H3 parsed_1qes 2
20 1 1 . . . . . . . . B 4 G H1 parsed_1qes 2
20 1 2 . . . . . . . . 1 5 U O2 parsed_1qes 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 . . . . . . 1.600 2.000 parsed_1qes 2
2 1 . . . . . . 1.600 2.000 parsed_1qes 2
3 1 . . . . . . 1.600 2.000 parsed_1qes 2
4 1 . . . . . . 1.600 2.000 parsed_1qes 2
5 1 . . . . . . 1.600 2.000 parsed_1qes 2
6 1 . . . . . . 1.600 2.000 parsed_1qes 2
7 1 . . . . . . 1.600 2.000 parsed_1qes 2
8 1 . . . . . . 1.600 2.000 parsed_1qes 2
9 1 . . . . . . 1.600 2.000 parsed_1qes 2
10 1 . . . . . . 1.600 2.000 parsed_1qes 2
11 1 . . . . . . 1.600 2.000 parsed_1qes 2
12 1 . . . . . . 1.600 2.000 parsed_1qes 2
13 1 . . . . . . 1.600 2.000 parsed_1qes 2
14 1 . . . . . . 1.600 2.000 parsed_1qes 2
15 1 . . . . . . 1.600 2.000 parsed_1qes 2
16 1 . . . . . . 1.600 2.000 parsed_1qes 2
17 1 . . . . . . 1.600 2.000 parsed_1qes 2
18 1 . . . . . . 1.600 2.000 parsed_1qes 2
19 1 . . . . . . 1.600 2.000 parsed_1qes 2
20 1 . . . . . . 1.600 2.000 parsed_1qes 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
;
Hydrogen Bonding Restraints
--------------------------
*** G1:C8 ***
;
1 1 3 15 parsed_1qes 2
2 "*** G2:C7 ***" 11 1 11 15 parsed_1qes 2
3 "*** A3:U6 ***" 19 1 19 15 parsed_1qes 2
4 "*** U4:G5 ***" 24 1 24 15 parsed_1qes 2
stop_
save_
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