NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
37869 |
1qet   |
cing | 2-parsed | STAR | entry | full | 202 |
data_1qet_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1qet
_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_1qet 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1qet
_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 1qet "Master copy" parsed_1qet
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1qet
_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 1qet.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1qet 1
1 1qet.mr . . DISCOVER 2 distance NOE simple 182 parsed_1qet 1
1 1qet.mr . . DISCOVER 3 distance "hydrogen bond" simple 20 parsed_1qet 1
1 1qet.mr . . unknown 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1qet 1
1 1qet.mr . . unknown 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1qet 1
1 1qet.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1qet 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_1qet
_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 1QET
*TITLE TANDEM GU MISMATCHES IN RNA, NMR, 30 STRUCTURES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: RNA (5'-R(*GP*GP*AP*UP*GP*UP*CP*C)-3');
*COMPND 3 CHAIN: A, B;
*COMPND 4 SYNONYM: (RGGAUGUCC)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 1QET 0
!BIOSYM restraint 1
! Restraint Set for r(GGAUGUCC)2
!
;
save_
save_Discover_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1qet
_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_1qet 1
2 1 . . . parsed_1qet 1
3 1 . . . parsed_1qet 1
4 1 . . . parsed_1qet 1
5 1 . . . parsed_1qet 1
6 1 . . . parsed_1qet 1
7 1 . . . parsed_1qet 1
8 1 . . . parsed_1qet 1
9 1 . . . parsed_1qet 1
10 1 . . . parsed_1qet 1
11 1 . . . parsed_1qet 1
12 1 . . . parsed_1qet 1
13 1 . . . parsed_1qet 1
14 1 . . . parsed_1qet 1
15 1 . . . parsed_1qet 1
16 1 . . . parsed_1qet 1
17 1 . . . parsed_1qet 1
18 1 . . . parsed_1qet 1
19 1 . . . parsed_1qet 1
20 1 . . . parsed_1qet 1
21 1 . . . parsed_1qet 1
22 1 . . . parsed_1qet 1
23 1 . . . parsed_1qet 1
24 1 . . . parsed_1qet 1
25 1 . . . parsed_1qet 1
26 1 . . . parsed_1qet 1
27 1 . . . parsed_1qet 1
28 1 . . . parsed_1qet 1
29 1 . . . parsed_1qet 1
30 1 . . . parsed_1qet 1
31 1 . . . parsed_1qet 1
32 1 . . . parsed_1qet 1
33 1 . . . parsed_1qet 1
34 1 . . . parsed_1qet 1
35 1 . . . parsed_1qet 1
36 1 . . . parsed_1qet 1
37 1 . . . parsed_1qet 1
38 1 . . . parsed_1qet 1
39 1 . . . parsed_1qet 1
40 1 . . . parsed_1qet 1
41 1 . . . parsed_1qet 1
42 1 . . . parsed_1qet 1
43 1 . . . parsed_1qet 1
44 1 . . . parsed_1qet 1
45 1 . . . parsed_1qet 1
46 1 . . . parsed_1qet 1
47 1 . . . parsed_1qet 1
48 1 . . . parsed_1qet 1
49 1 . . . parsed_1qet 1
50 1 . . . parsed_1qet 1
51 1 . . . parsed_1qet 1
52 1 . . . parsed_1qet 1
53 1 . . . parsed_1qet 1
54 1 . . . parsed_1qet 1
55 1 . . . parsed_1qet 1
56 1 . . . parsed_1qet 1
57 1 . . . parsed_1qet 1
58 1 . . . parsed_1qet 1
59 1 . . . parsed_1qet 1
60 1 . . . parsed_1qet 1
61 1 . . . parsed_1qet 1
62 1 . . . parsed_1qet 1
63 1 . . . parsed_1qet 1
64 1 . . . parsed_1qet 1
65 1 . . . parsed_1qet 1
66 1 . . . parsed_1qet 1
67 1 . . . parsed_1qet 1
68 1 . . . parsed_1qet 1
69 1 . . . parsed_1qet 1
70 1 . . . parsed_1qet 1
71 1 . . . parsed_1qet 1
72 1 . . . parsed_1qet 1
73 1 . . . parsed_1qet 1
74 1 . . . parsed_1qet 1
75 1 . . . parsed_1qet 1
76 1 . . . parsed_1qet 1
77 1 . . . parsed_1qet 1
78 1 . . . parsed_1qet 1
79 1 . . . parsed_1qet 1
80 1 . . . parsed_1qet 1
81 1 . . . parsed_1qet 1
82 1 . . . parsed_1qet 1
83 1 . . . parsed_1qet 1
84 1 . . . parsed_1qet 1
85 1 . . . parsed_1qet 1
86 1 . . . parsed_1qet 1
87 1 . . . parsed_1qet 1
88 1 . . . parsed_1qet 1
89 1 . . . parsed_1qet 1
90 1 . . . parsed_1qet 1
91 1 . . . parsed_1qet 1
92 1 . . . parsed_1qet 1
93 1 . . . parsed_1qet 1
94 1 . . . parsed_1qet 1
95 1 . . . parsed_1qet 1
96 1 . . . parsed_1qet 1
97 1 . . . parsed_1qet 1
98 1 . . . parsed_1qet 1
99 1 . . . parsed_1qet 1
100 1 . . . parsed_1qet 1
101 1 . . . parsed_1qet 1
102 1 . . . parsed_1qet 1
103 1 . . . parsed_1qet 1
104 1 . . . parsed_1qet 1
105 1 . . . parsed_1qet 1
106 1 . . . parsed_1qet 1
107 1 . . . parsed_1qet 1
108 1 . . . parsed_1qet 1
109 1 . . . parsed_1qet 1
110 1 . . . parsed_1qet 1
111 1 . . . parsed_1qet 1
112 1 . . . parsed_1qet 1
113 1 . . . parsed_1qet 1
114 1 . . . parsed_1qet 1
115 1 . . . parsed_1qet 1
116 1 . . . parsed_1qet 1
117 1 . . . parsed_1qet 1
118 1 . . . parsed_1qet 1
119 1 . . . parsed_1qet 1
120 1 . . . parsed_1qet 1
121 1 . . . parsed_1qet 1
122 1 . . . parsed_1qet 1
123 1 . . . parsed_1qet 1
124 1 . . . parsed_1qet 1
125 1 . . . parsed_1qet 1
126 1 . . . parsed_1qet 1
127 1 . . . parsed_1qet 1
128 1 . . . parsed_1qet 1
129 1 . . . parsed_1qet 1
130 1 . . . parsed_1qet 1
131 1 . . . parsed_1qet 1
132 1 . . . parsed_1qet 1
133 1 . . . parsed_1qet 1
134 1 . . . parsed_1qet 1
135 1 . . . parsed_1qet 1
136 1 . . . parsed_1qet 1
137 1 . . . parsed_1qet 1
138 1 . . . parsed_1qet 1
139 1 . . . parsed_1qet 1
140 1 . . . parsed_1qet 1
141 1 . . . parsed_1qet 1
142 1 . . . parsed_1qet 1
143 1 . . . parsed_1qet 1
144 1 . . . parsed_1qet 1
145 1 . . . parsed_1qet 1
146 1 . . . parsed_1qet 1
147 1 . . . parsed_1qet 1
148 1 . . . parsed_1qet 1
149 1 . . . parsed_1qet 1
150 1 . . . parsed_1qet 1
151 1 . . . parsed_1qet 1
152 1 . . . parsed_1qet 1
153 1 . . . parsed_1qet 1
154 1 . . . parsed_1qet 1
155 1 . . . parsed_1qet 1
156 1 . . . parsed_1qet 1
157 1 . . . parsed_1qet 1
158 1 . . . parsed_1qet 1
159 1 . . . parsed_1qet 1
160 1 . . . parsed_1qet 1
161 1 . . . parsed_1qet 1
162 1 . . . parsed_1qet 1
163 1 . . . parsed_1qet 1
164 1 . . . parsed_1qet 1
165 1 . . . parsed_1qet 1
166 1 . . . parsed_1qet 1
167 1 . . . parsed_1qet 1
168 1 . . . parsed_1qet 1
169 1 . . . parsed_1qet 1
170 1 . . . parsed_1qet 1
171 1 . . . parsed_1qet 1
172 1 . . . parsed_1qet 1
173 1 . . . parsed_1qet 1
174 1 . . . parsed_1qet 1
175 1 . . . parsed_1qet 1
176 1 . . . parsed_1qet 1
177 1 . . . parsed_1qet 1
178 1 . . . parsed_1qet 1
179 1 . . . parsed_1qet 1
180 1 . . . parsed_1qet 1
181 1 . . . parsed_1qet 1
182 1 . . . parsed_1qet 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_1qet 1
1 1 2 . . . . . . . . 1 1 G5' H8 parsed_1qet 1
2 1 1 . . . . . . . . 1 2 G H1' parsed_1qet 1
2 1 2 . . . . . . . . 1 2 G H8 parsed_1qet 1
3 1 1 . . . . . . . . 1 3 A H1' parsed_1qet 1
3 1 2 . . . . . . . . 1 3 A H8 parsed_1qet 1
4 1 1 . . . . . . . . 1 4 U H1' parsed_1qet 1
4 1 2 . . . . . . . . 1 4 U H6 parsed_1qet 1
5 1 1 . . . . . . . . 1 5 G H1' parsed_1qet 1
5 1 2 . . . . . . . . 1 5 G H8 parsed_1qet 1
6 1 1 . . . . . . . . 1 6 U H1' parsed_1qet 1
6 1 2 . . . . . . . . 1 6 U H6 parsed_1qet 1
7 1 1 . . . . . . . . 1 7 C H1' parsed_1qet 1
7 1 2 . . . . . . . . 1 7 C H6 parsed_1qet 1
8 1 1 . . . . . . . . 1 8 C3' H1' parsed_1qet 1
8 1 2 . . . . . . . . 1 8 C3' H6 parsed_1qet 1
9 1 1 . . . . . . . . B 1 G5' H1' parsed_1qet 1
9 1 2 . . . . . . . . B 1 G5' H8 parsed_1qet 1
10 1 1 . . . . . . . . B 2 G H1' parsed_1qet 1
10 1 2 . . . . . . . . B 2 G H8 parsed_1qet 1
11 1 1 . . . . . . . . B 3 A H1' parsed_1qet 1
11 1 2 . . . . . . . . B 3 A H8 parsed_1qet 1
12 1 1 . . . . . . . . B 4 U H1' parsed_1qet 1
12 1 2 . . . . . . . . B 4 U H6 parsed_1qet 1
13 1 1 . . . . . . . . B 5 G H1' parsed_1qet 1
13 1 2 . . . . . . . . B 5 G H8 parsed_1qet 1
14 1 1 . . . . . . . . B 6 U H1' parsed_1qet 1
14 1 2 . . . . . . . . B 6 U H6 parsed_1qet 1
15 1 1 . . . . . . . . B 7 C H1' parsed_1qet 1
15 1 2 . . . . . . . . B 7 C H6 parsed_1qet 1
16 1 1 . . . . . . . . B 8 C3' H1' parsed_1qet 1
16 1 2 . . . . . . . . B 8 C3' H6 parsed_1qet 1
17 1 1 . . . . . . . . 1 1 G5' H1' parsed_1qet 1
17 1 2 . . . . . . . . 1 2 G H8 parsed_1qet 1
18 1 1 . . . . . . . . 1 2 G H1' parsed_1qet 1
18 1 2 . . . . . . . . 1 3 A H8 parsed_1qet 1
19 1 1 . . . . . . . . 1 3 A H1' parsed_1qet 1
19 1 2 . . . . . . . . 1 4 U H6 parsed_1qet 1
20 1 1 . . . . . . . . 1 4 U H1' parsed_1qet 1
20 1 2 . . . . . . . . 1 5 G H8 parsed_1qet 1
21 1 1 . . . . . . . . 1 5 G H1' parsed_1qet 1
21 1 2 . . . . . . . . 1 6 U H6 parsed_1qet 1
22 1 1 . . . . . . . . 1 6 U H1' parsed_1qet 1
22 1 2 . . . . . . . . 1 7 C H6 parsed_1qet 1
23 1 1 . . . . . . . . 1 7 C H1' parsed_1qet 1
23 1 2 . . . . . . . . 1 8 C3' H6 parsed_1qet 1
24 1 1 . . . . . . . . B 1 G5' H1' parsed_1qet 1
24 1 2 . . . . . . . . B 2 G H8 parsed_1qet 1
25 1 1 . . . . . . . . B 2 G H1' parsed_1qet 1
25 1 2 . . . . . . . . B 3 A H8 parsed_1qet 1
26 1 1 . . . . . . . . B 3 A H1' parsed_1qet 1
26 1 2 . . . . . . . . B 4 U H6 parsed_1qet 1
27 1 1 . . . . . . . . B 4 U H1' parsed_1qet 1
27 1 2 . . . . . . . . B 5 G H8 parsed_1qet 1
28 1 1 . . . . . . . . B 5 G H1' parsed_1qet 1
28 1 2 . . . . . . . . B 6 U H6 parsed_1qet 1
29 1 1 . . . . . . . . B 6 U H1' parsed_1qet 1
29 1 2 . . . . . . . . B 7 C H6 parsed_1qet 1
30 1 1 . . . . . . . . B 7 C H1' parsed_1qet 1
30 1 2 . . . . . . . . B 8 C3' H6 parsed_1qet 1
31 1 1 . . . . . . . . 1 3 A H1' parsed_1qet 1
31 1 2 . . . . . . . . 1 3 A H2 parsed_1qet 1
32 1 1 . . . . . . . . B 7 C H1' parsed_1qet 1
32 1 2 . . . . . . . . 1 3 A H2 parsed_1qet 1
33 1 1 . . . . . . . . 1 4 U H1' parsed_1qet 1
33 1 2 . . . . . . . . 1 3 A H2 parsed_1qet 1
34 1 1 . . . . . . . . B 3 A H1' parsed_1qet 1
34 1 2 . . . . . . . . B 3 A H2 parsed_1qet 1
35 1 1 . . . . . . . . 1 7 C H1' parsed_1qet 1
35 1 2 . . . . . . . . B 3 A H2 parsed_1qet 1
36 1 1 . . . . . . . . B 4 U H1' parsed_1qet 1
36 1 2 . . . . . . . . B 3 A H2 parsed_1qet 1
37 1 1 . . . . . . . . 1 7 C H5 parsed_1qet 1
37 1 2 . . . . . . . . 1 6 U H6 parsed_1qet 1
38 1 1 . . . . . . . . 1 4 U H5 parsed_1qet 1
38 1 2 . . . . . . . . 1 3 A H8 parsed_1qet 1
39 1 1 . . . . . . . . 1 8 C3' H5 parsed_1qet 1
39 1 2 . . . . . . . . 1 7 C H6 parsed_1qet 1
40 1 1 . . . . . . . . B 7 C H5 parsed_1qet 1
40 1 2 . . . . . . . . B 6 U H6 parsed_1qet 1
41 1 1 . . . . . . . . B 4 U H5 parsed_1qet 1
41 1 2 . . . . . . . . B 3 A H8 parsed_1qet 1
42 1 1 . . . . . . . . B 8 C3' H5 parsed_1qet 1
42 1 2 . . . . . . . . B 7 C H6 parsed_1qet 1
43 1 1 . . . . . . . . 1 1 G5' H2' parsed_1qet 1
43 1 2 . . . . . . . . 1 1 G5' H1' parsed_1qet 1
44 1 1 . . . . . . . . 1 2 G H2' parsed_1qet 1
44 1 2 . . . . . . . . 1 2 G H1' parsed_1qet 1
45 1 1 . . . . . . . . 1 3 A H2' parsed_1qet 1
45 1 2 . . . . . . . . 1 3 A H1' parsed_1qet 1
46 1 1 . . . . . . . . 1 4 U H2' parsed_1qet 1
46 1 2 . . . . . . . . 1 4 U H1' parsed_1qet 1
47 1 1 . . . . . . . . 1 5 G H2' parsed_1qet 1
47 1 2 . . . . . . . . 1 5 G H1' parsed_1qet 1
48 1 1 . . . . . . . . 1 6 U H2' parsed_1qet 1
48 1 2 . . . . . . . . 1 6 U H1' parsed_1qet 1
49 1 1 . . . . . . . . 1 7 C H2' parsed_1qet 1
49 1 2 . . . . . . . . 1 7 C H1' parsed_1qet 1
50 1 1 . . . . . . . . 1 8 C3' H2' parsed_1qet 1
50 1 2 . . . . . . . . 1 8 C3' H1' parsed_1qet 1
51 1 1 . . . . . . . . B 1 G5' H2' parsed_1qet 1
51 1 2 . . . . . . . . B 1 G5' H1' parsed_1qet 1
52 1 1 . . . . . . . . B 2 G H2' parsed_1qet 1
52 1 2 . . . . . . . . B 2 G H1' parsed_1qet 1
53 1 1 . . . . . . . . B 3 A H2' parsed_1qet 1
53 1 2 . . . . . . . . B 3 A H1' parsed_1qet 1
54 1 1 . . . . . . . . B 4 U H2' parsed_1qet 1
54 1 2 . . . . . . . . B 4 U H1' parsed_1qet 1
55 1 1 . . . . . . . . B 5 G H2' parsed_1qet 1
55 1 2 . . . . . . . . B 5 G H1' parsed_1qet 1
56 1 1 . . . . . . . . B 6 U H2' parsed_1qet 1
56 1 2 . . . . . . . . B 6 U H1' parsed_1qet 1
57 1 1 . . . . . . . . B 7 C H2' parsed_1qet 1
57 1 2 . . . . . . . . B 7 C H1' parsed_1qet 1
58 1 1 . . . . . . . . B 8 C3' H2' parsed_1qet 1
58 1 2 . . . . . . . . B 8 C3' H1' parsed_1qet 1
59 1 1 . . . . . . . . 1 1 G5' H3' parsed_1qet 1
59 1 2 . . . . . . . . 1 1 G5' H1' parsed_1qet 1
60 1 1 . . . . . . . . 1 2 G H3' parsed_1qet 1
60 1 2 . . . . . . . . 1 2 G H1' parsed_1qet 1
61 1 1 . . . . . . . . 1 3 A H3' parsed_1qet 1
61 1 2 . . . . . . . . 1 3 A H1' parsed_1qet 1
62 1 1 . . . . . . . . 1 4 U H3' parsed_1qet 1
62 1 2 . . . . . . . . 1 4 U H1' parsed_1qet 1
63 1 1 . . . . . . . . 1 5 G H3' parsed_1qet 1
63 1 2 . . . . . . . . 1 5 G H1' parsed_1qet 1
64 1 1 . . . . . . . . 1 6 U H3' parsed_1qet 1
64 1 2 . . . . . . . . 1 6 U H1' parsed_1qet 1
65 1 1 . . . . . . . . 1 7 C H3' parsed_1qet 1
65 1 2 . . . . . . . . 1 7 C H1' parsed_1qet 1
66 1 1 . . . . . . . . 1 8 C3' H3' parsed_1qet 1
66 1 2 . . . . . . . . 1 8 C3' H1' parsed_1qet 1
67 1 1 . . . . . . . . B 1 G5' H3' parsed_1qet 1
67 1 2 . . . . . . . . B 1 G5' H1' parsed_1qet 1
68 1 1 . . . . . . . . B 2 G H3' parsed_1qet 1
68 1 2 . . . . . . . . B 2 G H1' parsed_1qet 1
69 1 1 . . . . . . . . B 3 A H3' parsed_1qet 1
69 1 2 . . . . . . . . B 3 A H1' parsed_1qet 1
70 1 1 . . . . . . . . B 4 U H3' parsed_1qet 1
70 1 2 . . . . . . . . B 4 U H1' parsed_1qet 1
71 1 1 . . . . . . . . B 5 G H3' parsed_1qet 1
71 1 2 . . . . . . . . B 5 G H1' parsed_1qet 1
72 1 1 . . . . . . . . B 6 U H3' parsed_1qet 1
72 1 2 . . . . . . . . B 6 U H1' parsed_1qet 1
73 1 1 . . . . . . . . B 7 C H3' parsed_1qet 1
73 1 2 . . . . . . . . B 7 C H1' parsed_1qet 1
74 1 1 . . . . . . . . B 8 C3' H3' parsed_1qet 1
74 1 2 . . . . . . . . B 8 C3' H1' parsed_1qet 1
75 1 1 . . . . . . . . 1 1 G5' H4' parsed_1qet 1
75 1 2 . . . . . . . . 1 1 G5' H1' parsed_1qet 1
76 1 1 . . . . . . . . 1 2 G H4' parsed_1qet 1
76 1 2 . . . . . . . . 1 2 G H1' parsed_1qet 1
77 1 1 . . . . . . . . 1 3 A H4' parsed_1qet 1
77 1 2 . . . . . . . . 1 3 A H1' parsed_1qet 1
78 1 1 . . . . . . . . 1 4 U H4' parsed_1qet 1
78 1 2 . . . . . . . . 1 4 U H1' parsed_1qet 1
79 1 1 . . . . . . . . 1 5 G H4' parsed_1qet 1
79 1 2 . . . . . . . . 1 5 G H1' parsed_1qet 1
80 1 1 . . . . . . . . 1 7 C H4' parsed_1qet 1
80 1 2 . . . . . . . . 1 7 C H1' parsed_1qet 1
81 1 1 . . . . . . . . 1 8 C3' H4' parsed_1qet 1
81 1 2 . . . . . . . . 1 8 C3' H1' parsed_1qet 1
82 1 1 . . . . . . . . B 1 G5' H4' parsed_1qet 1
82 1 2 . . . . . . . . B 1 G5' H1' parsed_1qet 1
83 1 1 . . . . . . . . B 2 G H4' parsed_1qet 1
83 1 2 . . . . . . . . B 2 G H1' parsed_1qet 1
84 1 1 . . . . . . . . B 3 A H4' parsed_1qet 1
84 1 2 . . . . . . . . B 3 A H1' parsed_1qet 1
85 1 1 . . . . . . . . B 4 U H4' parsed_1qet 1
85 1 2 . . . . . . . . B 4 U H1' parsed_1qet 1
86 1 1 . . . . . . . . B 5 G H4' parsed_1qet 1
86 1 2 . . . . . . . . B 5 G H1' parsed_1qet 1
87 1 1 . . . . . . . . B 7 C H4' parsed_1qet 1
87 1 2 . . . . . . . . B 7 C H1' parsed_1qet 1
88 1 1 . . . . . . . . B 8 C3' H4' parsed_1qet 1
88 1 2 . . . . . . . . B 8 C3' H1' parsed_1qet 1
89 1 1 . . . . . . . . 1 2 G H2' parsed_1qet 1
89 1 2 . . . . . . . . 1 3 A H1' parsed_1qet 1
90 1 1 . . . . . . . . 1 3 A H2' parsed_1qet 1
90 1 2 . . . . . . . . 1 4 U H1' parsed_1qet 1
91 1 1 . . . . . . . . 1 4 U H2' parsed_1qet 1
91 1 2 . . . . . . . . 1 5 G H1' parsed_1qet 1
92 1 1 . . . . . . . . 1 5 G H2' parsed_1qet 1
92 1 2 . . . . . . . . 1 6 U H1' parsed_1qet 1
93 1 1 . . . . . . . . 1 6 U H2' parsed_1qet 1
93 1 2 . . . . . . . . 1 7 C H1' parsed_1qet 1
94 1 1 . . . . . . . . B 2 G H2' parsed_1qet 1
94 1 2 . . . . . . . . B 3 A H1' parsed_1qet 1
95 1 1 . . . . . . . . B 3 A H2' parsed_1qet 1
95 1 2 . . . . . . . . B 4 U H1' parsed_1qet 1
96 1 1 . . . . . . . . B 4 U H2' parsed_1qet 1
96 1 2 . . . . . . . . B 5 G H1' parsed_1qet 1
97 1 1 . . . . . . . . B 5 G H2' parsed_1qet 1
97 1 2 . . . . . . . . B 6 U H1' parsed_1qet 1
98 1 1 . . . . . . . . B 6 U H2' parsed_1qet 1
98 1 2 . . . . . . . . B 7 C H1' parsed_1qet 1
99 1 1 . . . . . . . . 1 4 U H3' parsed_1qet 1
99 1 2 . . . . . . . . 1 4 U H5 parsed_1qet 1
100 1 1 . . . . . . . . 1 6 U H3' parsed_1qet 1
100 1 2 . . . . . . . . 1 6 U H5 parsed_1qet 1
101 1 1 . . . . . . . . 1 7 C H3' parsed_1qet 1
101 1 2 . . . . . . . . 1 7 C H5 parsed_1qet 1
102 1 1 . . . . . . . . 1 8 C3' H2' parsed_1qet 1
102 1 2 . . . . . . . . 1 8 C3' H5 parsed_1qet 1
103 1 1 . . . . . . . . 1 8 C3' H3' parsed_1qet 1
103 1 2 . . . . . . . . 1 8 C3' H5 parsed_1qet 1
104 1 1 . . . . . . . . B 4 U H3' parsed_1qet 1
104 1 2 . . . . . . . . B 4 U H5 parsed_1qet 1
105 1 1 . . . . . . . . B 6 U H3' parsed_1qet 1
105 1 2 . . . . . . . . B 6 U H5 parsed_1qet 1
106 1 1 . . . . . . . . B 7 C H3' parsed_1qet 1
106 1 2 . . . . . . . . B 7 C H5 parsed_1qet 1
107 1 1 . . . . . . . . B 8 C3' H2' parsed_1qet 1
107 1 2 . . . . . . . . B 8 C3' H5 parsed_1qet 1
108 1 1 . . . . . . . . B 8 C3' H3' parsed_1qet 1
108 1 2 . . . . . . . . B 8 C3' H5 parsed_1qet 1
109 1 1 . . . . . . . . 1 3 A H2' parsed_1qet 1
109 1 2 . . . . . . . . 1 4 U H5 parsed_1qet 1
110 1 1 . . . . . . . . 1 3 A H3' parsed_1qet 1
110 1 2 . . . . . . . . 1 4 U H5 parsed_1qet 1
111 1 1 . . . . . . . . 1 5 G H2' parsed_1qet 1
111 1 2 . . . . . . . . 1 6 U H5 parsed_1qet 1
112 1 1 . . . . . . . . 1 5 G H3' parsed_1qet 1
112 1 2 . . . . . . . . 1 6 U H5 parsed_1qet 1
113 1 1 . . . . . . . . 1 6 U H2' parsed_1qet 1
113 1 2 . . . . . . . . 1 7 C H5 parsed_1qet 1
114 1 1 . . . . . . . . 1 7 C H3' parsed_1qet 1
114 1 2 . . . . . . . . 1 8 C3' H5 parsed_1qet 1
115 1 1 . . . . . . . . 1 7 C H2' parsed_1qet 1
115 1 2 . . . . . . . . 1 8 C3' H5 parsed_1qet 1
116 1 1 . . . . . . . . B 3 A H2' parsed_1qet 1
116 1 2 . . . . . . . . B 4 U H5 parsed_1qet 1
117 1 1 . . . . . . . . B 3 A H3' parsed_1qet 1
117 1 2 . . . . . . . . B 4 U H5 parsed_1qet 1
118 1 1 . . . . . . . . B 5 G H2' parsed_1qet 1
118 1 2 . . . . . . . . B 6 U H5 parsed_1qet 1
119 1 1 . . . . . . . . B 5 G H3' parsed_1qet 1
119 1 2 . . . . . . . . B 6 U H5 parsed_1qet 1
120 1 1 . . . . . . . . B 6 U H2' parsed_1qet 1
120 1 2 . . . . . . . . B 7 C H5 parsed_1qet 1
121 1 1 . . . . . . . . B 7 C H3' parsed_1qet 1
121 1 2 . . . . . . . . B 8 C3' H5 parsed_1qet 1
122 1 1 . . . . . . . . B 7 C H2' parsed_1qet 1
122 1 2 . . . . . . . . B 8 C3' H5 parsed_1qet 1
123 1 1 . . . . . . . . 1 1 G5' H2' parsed_1qet 1
123 1 2 . . . . . . . . 1 1 G5' H8 parsed_1qet 1
124 1 1 . . . . . . . . 1 2 G H2' parsed_1qet 1
124 1 2 . . . . . . . . 1 2 G H8 parsed_1qet 1
125 1 1 . . . . . . . . 1 3 A H2' parsed_1qet 1
125 1 2 . . . . . . . . 1 3 A H8 parsed_1qet 1
126 1 1 . . . . . . . . 1 4 U H2' parsed_1qet 1
126 1 2 . . . . . . . . 1 4 U H6 parsed_1qet 1
127 1 1 . . . . . . . . 1 5 G H2' parsed_1qet 1
127 1 2 . . . . . . . . 1 5 G H8 parsed_1qet 1
128 1 1 . . . . . . . . 1 6 U H2' parsed_1qet 1
128 1 2 . . . . . . . . 1 6 U H6 parsed_1qet 1
129 1 1 . . . . . . . . 1 7 C H2' parsed_1qet 1
129 1 2 . . . . . . . . 1 7 C H6 parsed_1qet 1
130 1 1 . . . . . . . . 1 8 C3' H2' parsed_1qet 1
130 1 2 . . . . . . . . 1 8 C3' H6 parsed_1qet 1
131 1 1 . . . . . . . . B 1 G5' H2' parsed_1qet 1
131 1 2 . . . . . . . . B 1 G5' H8 parsed_1qet 1
132 1 1 . . . . . . . . B 2 G H2' parsed_1qet 1
132 1 2 . . . . . . . . B 2 G H8 parsed_1qet 1
133 1 1 . . . . . . . . B 3 A H2' parsed_1qet 1
133 1 2 . . . . . . . . B 3 A H8 parsed_1qet 1
134 1 1 . . . . . . . . B 4 U H2' parsed_1qet 1
134 1 2 . . . . . . . . B 4 U H6 parsed_1qet 1
135 1 1 . . . . . . . . B 5 G H2' parsed_1qet 1
135 1 2 . . . . . . . . B 5 G H8 parsed_1qet 1
136 1 1 . . . . . . . . B 6 U H2' parsed_1qet 1
136 1 2 . . . . . . . . B 6 U H6 parsed_1qet 1
137 1 1 . . . . . . . . B 7 C H2' parsed_1qet 1
137 1 2 . . . . . . . . B 7 C H6 parsed_1qet 1
138 1 1 . . . . . . . . B 8 C3' H2' parsed_1qet 1
138 1 2 . . . . . . . . B 8 C3' H6 parsed_1qet 1
139 1 1 . . . . . . . . 1 1 G5' H2' parsed_1qet 1
139 1 2 . . . . . . . . 1 2 G H8 parsed_1qet 1
140 1 1 . . . . . . . . 1 2 G H2' parsed_1qet 1
140 1 2 . . . . . . . . 1 3 A H8 parsed_1qet 1
141 1 1 . . . . . . . . 1 3 A H2' parsed_1qet 1
141 1 2 . . . . . . . . 1 4 U H6 parsed_1qet 1
142 1 1 . . . . . . . . 1 4 U H2' parsed_1qet 1
142 1 2 . . . . . . . . 1 5 G H8 parsed_1qet 1
143 1 1 . . . . . . . . 1 5 G H2' parsed_1qet 1
143 1 2 . . . . . . . . 1 6 U H6 parsed_1qet 1
144 1 1 . . . . . . . . 1 6 U H2' parsed_1qet 1
144 1 2 . . . . . . . . 1 7 C H6 parsed_1qet 1
145 1 1 . . . . . . . . 1 7 C H2' parsed_1qet 1
145 1 2 . . . . . . . . 1 8 C3' H6 parsed_1qet 1
146 1 1 . . . . . . . . B 1 G5' H2' parsed_1qet 1
146 1 2 . . . . . . . . B 2 G H8 parsed_1qet 1
147 1 1 . . . . . . . . B 2 G H2' parsed_1qet 1
147 1 2 . . . . . . . . B 3 A H8 parsed_1qet 1
148 1 1 . . . . . . . . B 3 A H2' parsed_1qet 1
148 1 2 . . . . . . . . B 4 U H6 parsed_1qet 1
149 1 1 . . . . . . . . B 4 U H2' parsed_1qet 1
149 1 2 . . . . . . . . B 5 G H8 parsed_1qet 1
150 1 1 . . . . . . . . B 5 G H2' parsed_1qet 1
150 1 2 . . . . . . . . B 6 U H6 parsed_1qet 1
151 1 1 . . . . . . . . B 6 U H2' parsed_1qet 1
151 1 2 . . . . . . . . B 7 C H6 parsed_1qet 1
152 1 1 . . . . . . . . B 7 C H2' parsed_1qet 1
152 1 2 . . . . . . . . B 8 C3' H6 parsed_1qet 1
153 1 1 . . . . . . . . 1 1 G5' H3' parsed_1qet 1
153 1 2 . . . . . . . . 1 1 G5' H8 parsed_1qet 1
154 1 1 . . . . . . . . 1 3 A H3' parsed_1qet 1
154 1 2 . . . . . . . . 1 3 A H8 parsed_1qet 1
155 1 1 . . . . . . . . 1 4 U H3' parsed_1qet 1
155 1 2 . . . . . . . . 1 4 U H6 parsed_1qet 1
156 1 1 . . . . . . . . 1 5 G H3' parsed_1qet 1
156 1 2 . . . . . . . . 1 5 G H8 parsed_1qet 1
157 1 1 . . . . . . . . 1 6 U H3' parsed_1qet 1
157 1 2 . . . . . . . . 1 6 U H6 parsed_1qet 1
158 1 1 . . . . . . . . 1 7 C H3' parsed_1qet 1
158 1 2 . . . . . . . . 1 7 C H6 parsed_1qet 1
159 1 1 . . . . . . . . 1 8 C3' H3' parsed_1qet 1
159 1 2 . . . . . . . . 1 8 C3' H6 parsed_1qet 1
160 1 1 . . . . . . . . B 1 G5' H3' parsed_1qet 1
160 1 2 . . . . . . . . B 1 G5' H8 parsed_1qet 1
161 1 1 . . . . . . . . B 3 A H3' parsed_1qet 1
161 1 2 . . . . . . . . B 3 A H8 parsed_1qet 1
162 1 1 . . . . . . . . B 4 U H3' parsed_1qet 1
162 1 2 . . . . . . . . B 4 U H6 parsed_1qet 1
163 1 1 . . . . . . . . B 5 G H3' parsed_1qet 1
163 1 2 . . . . . . . . B 5 G H8 parsed_1qet 1
164 1 1 . . . . . . . . B 6 U H3' parsed_1qet 1
164 1 2 . . . . . . . . B 6 U H6 parsed_1qet 1
165 1 1 . . . . . . . . B 7 C H3' parsed_1qet 1
165 1 2 . . . . . . . . B 7 C H6 parsed_1qet 1
166 1 1 . . . . . . . . B 8 C3' H3' parsed_1qet 1
166 1 2 . . . . . . . . B 8 C3' H6 parsed_1qet 1
167 1 1 . . . . . . . . 1 3 A H3' parsed_1qet 1
167 1 2 . . . . . . . . 1 4 U H6 parsed_1qet 1
168 1 1 . . . . . . . . 1 7 C H3' parsed_1qet 1
168 1 2 . . . . . . . . 1 8 C3' H6 parsed_1qet 1
169 1 1 . . . . . . . . B 3 A H3' parsed_1qet 1
169 1 2 . . . . . . . . B 4 U H6 parsed_1qet 1
170 1 1 . . . . . . . . B 7 C H3' parsed_1qet 1
170 1 2 . . . . . . . . B 8 C3' H6 parsed_1qet 1
171 1 1 . . . . . . . . 1 1 G5' H4' parsed_1qet 1
171 1 2 . . . . . . . . 1 1 G5' H8 parsed_1qet 1
172 1 1 . . . . . . . . 1 3 A H4' parsed_1qet 1
172 1 2 . . . . . . . . 1 3 A H8 parsed_1qet 1
173 1 1 . . . . . . . . 1 4 U H4' parsed_1qet 1
173 1 2 . . . . . . . . 1 4 U H6 parsed_1qet 1
174 1 1 . . . . . . . . B 1 G5' H4' parsed_1qet 1
174 1 2 . . . . . . . . B 1 G5' H8 parsed_1qet 1
175 1 1 . . . . . . . . B 3 A H4' parsed_1qet 1
175 1 2 . . . . . . . . B 3 A H8 parsed_1qet 1
176 1 1 . . . . . . . . B 4 U H4' parsed_1qet 1
176 1 2 . . . . . . . . B 4 U H6 parsed_1qet 1
177 1 1 . . . . . . . . 1 4 U H6 parsed_1qet 1
177 1 2 . . . . . . . . 1 5 G H8 parsed_1qet 1
178 1 1 . . . . . . . . B 4 U H6 parsed_1qet 1
178 1 2 . . . . . . . . B 5 G H8 parsed_1qet 1
179 1 1 . . . . . . . . 1 6 U H5 parsed_1qet 1
179 1 2 . . . . . . . . 1 5 G H1' parsed_1qet 1
180 1 1 . . . . . . . . 1 6 U H5 parsed_1qet 1
180 1 2 . . . . . . . . 1 7 C H5 parsed_1qet 1
181 1 1 . . . . . . . . B 6 U H5 parsed_1qet 1
181 1 2 . . . . . . . . B 5 G H1' parsed_1qet 1
182 1 1 . . . . . . . . B 6 U H5 parsed_1qet 1
182 1 2 . . . . . . . . B 7 C H5 parsed_1qet 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 . . . . . . 2.97 4.45 parsed_1qet 1
2 1 . . . . . . 3.03 4.54 parsed_1qet 1
3 1 . . . . . . 3.36 5.03 parsed_1qet 1
4 1 . . . . . . 2.64 3.96 parsed_1qet 1
5 1 . . . . . . 1.00 5.00 parsed_1qet 1
6 1 . . . . . . 2.77 4.16 parsed_1qet 1
7 1 . . . . . . 2.69 4.04 parsed_1qet 1
8 1 . . . . . . 2.85 4.28 parsed_1qet 1
9 1 . . . . . . 2.97 4.45 parsed_1qet 1
10 1 . . . . . . 3.03 4.54 parsed_1qet 1
11 1 . . . . . . 3.36 5.03 parsed_1qet 1
12 1 . . . . . . 2.64 3.96 parsed_1qet 1
13 1 . . . . . . 1.00 5.00 parsed_1qet 1
14 1 . . . . . . 2.77 4.16 parsed_1qet 1
15 1 . . . . . . 2.69 4.04 parsed_1qet 1
16 1 . . . . . . 2.85 4.28 parsed_1qet 1
17 1 . . . . . . 3.20 4.80 parsed_1qet 1
18 1 . . . . . . 3.57 5.36 parsed_1qet 1
19 1 . . . . . . 3.23 4.84 parsed_1qet 1
20 1 . . . . . . 2.75 4.12 parsed_1qet 1
21 1 . . . . . . 1.00 5.00 parsed_1qet 1
22 1 . . . . . . 2.63 3.94 parsed_1qet 1
23 1 . . . . . . 1.00 4.50 parsed_1qet 1
24 1 . . . . . . 3.20 4.80 parsed_1qet 1
25 1 . . . . . . 3.57 5.36 parsed_1qet 1
26 1 . . . . . . 3.23 4.84 parsed_1qet 1
27 1 . . . . . . 2.75 4.12 parsed_1qet 1
28 1 . . . . . . 1.00 5.00 parsed_1qet 1
29 1 . . . . . . 2.63 3.94 parsed_1qet 1
30 1 . . . . . . 1.00 4.50 parsed_1qet 1
31 1 . . . . . . 3.80 5.69 parsed_1qet 1
32 1 . . . . . . 2.31 3.47 parsed_1qet 1
33 1 . . . . . . 2.36 3.54 parsed_1qet 1
34 1 . . . . . . 3.80 5.69 parsed_1qet 1
35 1 . . . . . . 2.31 3.47 parsed_1qet 1
36 1 . . . . . . 2.36 3.54 parsed_1qet 1
37 1 . . . . . . 4.00 6.00 parsed_1qet 1
38 1 . . . . . . 3.00 6.01 parsed_1qet 1
39 1 . . . . . . 3.04 4.56 parsed_1qet 1
40 1 . . . . . . 4.00 6.00 parsed_1qet 1
41 1 . . . . . . 3.00 6.01 parsed_1qet 1
42 1 . . . . . . 3.04 4.56 parsed_1qet 1
43 1 . . . . . . 2.07 3.11 parsed_1qet 1
44 1 . . . . . . 2.39 3.58 parsed_1qet 1
45 1 . . . . . . 2.14 3.21 parsed_1qet 1
46 1 . . . . . . 2.05 3.07 parsed_1qet 1
47 1 . . . . . . 2.70 4.05 parsed_1qet 1
48 1 . . . . . . 1.91 2.87 parsed_1qet 1
49 1 . . . . . . 2.00 3.00 parsed_1qet 1
50 1 . . . . . . 1.94 2.91 parsed_1qet 1
51 1 . . . . . . 2.07 3.11 parsed_1qet 1
52 1 . . . . . . 2.39 3.58 parsed_1qet 1
53 1 . . . . . . 2.14 3.21 parsed_1qet 1
54 1 . . . . . . 2.05 3.07 parsed_1qet 1
55 1 . . . . . . 2.70 4.05 parsed_1qet 1
56 1 . . . . . . 1.91 2.87 parsed_1qet 1
57 1 . . . . . . 2.00 3.00 parsed_1qet 1
58 1 . . . . . . 1.94 2.91 parsed_1qet 1
59 1 . . . . . . 2.17 4.03 parsed_1qet 1
60 1 . . . . . . 3.09 4.63 parsed_1qet 1
61 1 . . . . . . 2.82 4.23 parsed_1qet 1
62 1 . . . . . . 2.90 4.35 parsed_1qet 1
63 1 . . . . . . 3.00 4.51 parsed_1qet 1
64 1 . . . . . . 2.68 4.02 parsed_1qet 1
65 1 . . . . . . 2.58 3.87 parsed_1qet 1
66 1 . . . . . . 2.33 3.50 parsed_1qet 1
67 1 . . . . . . 2.17 4.03 parsed_1qet 1
68 1 . . . . . . 3.09 4.63 parsed_1qet 1
69 1 . . . . . . 2.82 4.23 parsed_1qet 1
70 1 . . . . . . 2.90 4.35 parsed_1qet 1
71 1 . . . . . . 3.00 4.51 parsed_1qet 1
72 1 . . . . . . 2.68 4.02 parsed_1qet 1
73 1 . . . . . . 2.58 3.87 parsed_1qet 1
74 1 . . . . . . 2.33 3.50 parsed_1qet 1
75 1 . . . . . . 2.54 3.81 parsed_1qet 1
76 1 . . . . . . 1.00 5.00 parsed_1qet 1
77 1 . . . . . . 2.41 4.47 parsed_1qet 1
78 1 . . . . . . 2.47 3.70 parsed_1qet 1
79 1 . . . . . . 2.57 4.78 parsed_1qet 1
80 1 . . . . . . 3.24 6.01 parsed_1qet 1
81 1 . . . . . . 2.78 4.17 parsed_1qet 1
82 1 . . . . . . 2.54 3.81 parsed_1qet 1
83 1 . . . . . . 1.00 5.00 parsed_1qet 1
84 1 . . . . . . 2.41 4.47 parsed_1qet 1
85 1 . . . . . . 2.47 3.70 parsed_1qet 1
86 1 . . . . . . 2.57 4.78 parsed_1qet 1
87 1 . . . . . . 3.24 6.01 parsed_1qet 1
88 1 . . . . . . 2.78 4.17 parsed_1qet 1
89 1 . . . . . . 3.06 4.58 parsed_1qet 1
90 1 . . . . . . 3.23 4.85 parsed_1qet 1
91 1 . . . . . . 2.48 4.61 parsed_1qet 1
92 1 . . . . . . 3.23 4.84 parsed_1qet 1
93 1 . . . . . . 1.00 4.50 parsed_1qet 1
94 1 . . . . . . 3.06 4.58 parsed_1qet 1
95 1 . . . . . . 3.23 4.85 parsed_1qet 1
96 1 . . . . . . 2.48 4.61 parsed_1qet 1
97 1 . . . . . . 3.23 4.84 parsed_1qet 1
98 1 . . . . . . 1.00 4.50 parsed_1qet 1
99 1 . . . . . . 2.73 5.07 parsed_1qet 1
100 1 . . . . . . 2.86 5.32 parsed_1qet 1
101 1 . . . . . . 3.13 4.70 parsed_1qet 1
102 1 . . . . . . 2.58 4.78 parsed_1qet 1
103 1 . . . . . . 2.37 4.39 parsed_1qet 1
104 1 . . . . . . 2.73 5.07 parsed_1qet 1
105 1 . . . . . . 2.86 5.32 parsed_1qet 1
106 1 . . . . . . 3.13 4.70 parsed_1qet 1
107 1 . . . . . . 2.58 4.78 parsed_1qet 1
108 1 . . . . . . 2.37 4.39 parsed_1qet 1
109 1 . . . . . . 2.74 4.11 parsed_1qet 1
110 1 . . . . . . 2.42 4.50 parsed_1qet 1
111 1 . . . . . . 2.14 3.98 parsed_1qet 1
112 1 . . . . . . 2.90 4.35 parsed_1qet 1
113 1 . . . . . . 2.60 3.91 parsed_1qet 1
114 1 . . . . . . 2.60 4.82 parsed_1qet 1
115 1 . . . . . . 2.48 3.73 parsed_1qet 1
116 1 . . . . . . 2.74 4.11 parsed_1qet 1
117 1 . . . . . . 2.42 4.50 parsed_1qet 1
118 1 . . . . . . 2.14 3.98 parsed_1qet 1
119 1 . . . . . . 2.90 4.35 parsed_1qet 1
120 1 . . . . . . 2.60 3.91 parsed_1qet 1
121 1 . . . . . . 2.60 4.82 parsed_1qet 1
122 1 . . . . . . 2.48 3.73 parsed_1qet 1
123 1 . . . . . . 2.83 4.24 parsed_1qet 1
124 1 . . . . . . 2.29 4.25 parsed_1qet 1
125 1 . . . . . . 1.00 4.50 parsed_1qet 1
126 1 . . . . . . 2.62 3.93 parsed_1qet 1
127 1 . . . . . . 1.90 3.60 parsed_1qet 1
128 1 . . . . . . 2.45 3.68 parsed_1qet 1
129 1 . . . . . . 2.75 4.13 parsed_1qet 1
130 1 . . . . . . 2.47 3.70 parsed_1qet 1
131 1 . . . . . . 2.83 4.24 parsed_1qet 1
132 1 . . . . . . 2.29 4.25 parsed_1qet 1
133 1 . . . . . . 1.00 4.50 parsed_1qet 1
134 1 . . . . . . 2.62 3.93 parsed_1qet 1
135 1 . . . . . . 1.90 3.60 parsed_1qet 1
136 1 . . . . . . 2.45 3.68 parsed_1qet 1
137 1 . . . . . . 2.75 4.13 parsed_1qet 1
138 1 . . . . . . 2.47 3.70 parsed_1qet 1
139 1 . . . . . . 2.05 3.08 parsed_1qet 1
140 1 . . . . . . 2.24 3.36 parsed_1qet 1
141 1 . . . . . . 1.91 2.87 parsed_1qet 1
142 1 . . . . . . 1.90 2.86 parsed_1qet 1
143 1 . . . . . . 2.06 3.83 parsed_1qet 1
144 1 . . . . . . 1.81 2.71 parsed_1qet 1
145 1 . . . . . . 1.95 2.92 parsed_1qet 1
146 1 . . . . . . 2.05 3.08 parsed_1qet 1
147 1 . . . . . . 2.24 3.36 parsed_1qet 1
148 1 . . . . . . 1.91 2.87 parsed_1qet 1
149 1 . . . . . . 1.90 2.86 parsed_1qet 1
150 1 . . . . . . 2.06 3.83 parsed_1qet 1
151 1 . . . . . . 1.81 2.71 parsed_1qet 1
152 1 . . . . . . 1.95 2.92 parsed_1qet 1
153 1 . . . . . . 2.76 4.13 parsed_1qet 1
154 1 . . . . . . 2.69 4.03 parsed_1qet 1
155 1 . . . . . . 2.26 3.39 parsed_1qet 1
156 1 . . . . . . 2.01 3.01 parsed_1qet 1
157 1 . . . . . . 2.03 3.04 parsed_1qet 1
158 1 . . . . . . 2.10 3.16 parsed_1qet 1
159 1 . . . . . . 2.01 3.02 parsed_1qet 1
160 1 . . . . . . 2.76 4.13 parsed_1qet 1
161 1 . . . . . . 2.69 4.03 parsed_1qet 1
162 1 . . . . . . 2.26 3.39 parsed_1qet 1
163 1 . . . . . . 2.01 3.01 parsed_1qet 1
164 1 . . . . . . 2.03 3.04 parsed_1qet 1
165 1 . . . . . . 2.10 3.16 parsed_1qet 1
166 1 . . . . . . 2.01 3.02 parsed_1qet 1
167 1 . . . . . . 2.00 3.00 parsed_1qet 1
168 1 . . . . . . 2.46 3.70 parsed_1qet 1
169 1 . . . . . . 2.00 3.00 parsed_1qet 1
170 1 . . . . . . 2.46 3.70 parsed_1qet 1
171 1 . . . . . . 1.00 5.00 parsed_1qet 1
172 1 . . . . . . 2.98 4.48 parsed_1qet 1
173 1 . . . . . . 2.61 4.85 parsed_1qet 1
174 1 . . . . . . 1.00 5.00 parsed_1qet 1
175 1 . . . . . . 2.98 4.48 parsed_1qet 1
176 1 . . . . . . 2.61 4.85 parsed_1qet 1
177 1 . . . . . . 3.88 5.83 parsed_1qet 1
178 1 . . . . . . 3.88 5.83 parsed_1qet 1
179 1 . . . . . . 1.00 5.00 parsed_1qet 1
180 1 . . . . . . 2.87 4.31 parsed_1qet 1
181 1 . . . . . . 1.00 5.00 parsed_1qet 1
182 1 . . . . . . 2.87 4.31 parsed_1qet 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
;
distance
--------------------------
Intranucleotide Base/H1'
--------------------------
;
1 1 4 27 parsed_1qet 1
2 ..................................... 13 1 13 38 parsed_1qet 1
3
;
--------------------------
Internucleotide Base/H1'
--------------------------
;
22 1 24 27 parsed_1qet 1
4 ..................................... 32 1 32 38 parsed_1qet 1
5
;
--------------------------
Internucleotide AH2/H1'
--------------------------
;
40 1 42 27 parsed_1qet 1
6 ..................................... 46 1 46 38 parsed_1qet 1
7
;
--------------------------
Internucleotide Base/H5
--------------------------
;
50 1 52 27 parsed_1qet 1
8 ..................................... 56 1 56 38 parsed_1qet 1
9
;
--------------------------
Intranucleotide H1'/H2'
--------------------------
;
60 1 62 27 parsed_1qet 1
10 ..................................... 71 1 71 38 parsed_1qet 1
11
;
--------------------------
Intranucleotide H1'/H3'
--------------------------
;
80 1 82 27 parsed_1qet 1
12 ..................................... 91 1 91 38 parsed_1qet 1
13
;
--------------------------
Intranucleotide H1'/H4'
--------------------------
;
100 1 102 27 parsed_1qet 1
14 ..................................... 110 1 110 38 parsed_1qet 1
15
;
--------------------------
Internucleotide H1'/H2'
--------------------------
;
118 1 120 27 parsed_1qet 1
16 ..................................... 126 1 126 38 parsed_1qet 1
17
;
--------------------------
Intranucleotide H5/Sugar
--------------------------
;
132 1 134 27 parsed_1qet 1
18 ..................................... 140 1 140 38 parsed_1qet 1
19
;
--------------------------
Internucleotide H5/Sugar
--------------------------
;
146 1 148 27 parsed_1qet 1
20 ..................................... 156 1 156 38 parsed_1qet 1
21
;
--------------------------
Intranucleotide Base/H2'
--------------------------
;
164 1 166 27 parsed_1qet 1
22 ..................................... 175 1 175 38 parsed_1qet 1
23
;
--------------------------
Internucleotide Base/H2'
--------------------------
;
184 1 186 27 parsed_1qet 1
24 ..................................... 194 1 194 38 parsed_1qet 1
25
;
--------------------------
Intranucleotide Base/H3'
--------------------------
;
202 1 204 27 parsed_1qet 1
26 ..................................... 212 1 212 38 parsed_1qet 1
27
;
--------------------------
Internucleotide Base/H3'
--------------------------
;
220 1 222 27 parsed_1qet 1
28 ..................................... 225 1 225 38 parsed_1qet 1
29
;
--------------------------
Intranucleotide Base/H4'
--------------------------
;
228 1 230 27 parsed_1qet 1
30 ..................................... 234 1 234 38 parsed_1qet 1
31
;
--------------------------
Intranucleotide Base/Base
--------------------------
;
238 1 240 27 parsed_1qet 1
32 ..................................... 242 1 242 38 parsed_1qet 1
33
;
--------------------------
Intranucleotide H5/H1'\5
--------------------------
;
244 1 246 27 parsed_1qet 1
34 ..................................... 249 1 249 38 parsed_1qet 1
stop_
save_
save_Discover_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1qet
_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_1qet 2
2 1 . . . parsed_1qet 2
3 1 . . . parsed_1qet 2
4 1 . . . parsed_1qet 2
5 1 . . . parsed_1qet 2
6 1 . . . parsed_1qet 2
7 1 . . . parsed_1qet 2
8 1 . . . parsed_1qet 2
9 1 . . . parsed_1qet 2
10 1 . . . parsed_1qet 2
11 1 . . . parsed_1qet 2
12 1 . . . parsed_1qet 2
13 1 . . . parsed_1qet 2
14 1 . . . parsed_1qet 2
15 1 . . . parsed_1qet 2
16 1 . . . parsed_1qet 2
17 1 . . . parsed_1qet 2
18 1 . . . parsed_1qet 2
19 1 . . . parsed_1qet 2
20 1 . . . parsed_1qet 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 8 C3' O2 parsed_1qet 2
1 1 2 . . . . . . . . 1 1 G5' H22 parsed_1qet 2
2 1 1 . . . . . . . . B 8 C3' N3 parsed_1qet 2
2 1 2 . . . . . . . . 1 1 G5' H1 parsed_1qet 2
3 1 1 . . . . . . . . B 8 C3' H42 parsed_1qet 2
3 1 2 . . . . . . . . 1 1 G5' O6 parsed_1qet 2
4 1 1 . . . . . . . . B 1 G5' O6 parsed_1qet 2
4 1 2 . . . . . . . . 1 8 C3' H42 parsed_1qet 2
5 1 1 . . . . . . . . B 1 G5' H1 parsed_1qet 2
5 1 2 . . . . . . . . 1 8 C3' N3 parsed_1qet 2
6 1 1 . . . . . . . . B 1 G5' H22 parsed_1qet 2
6 1 2 . . . . . . . . 1 8 C3' O2 parsed_1qet 2
7 1 1 . . . . . . . . B 7 C O2 parsed_1qet 2
7 1 2 . . . . . . . . 1 2 G H22 parsed_1qet 2
8 1 1 . . . . . . . . B 7 C N3 parsed_1qet 2
8 1 2 . . . . . . . . 1 2 G H1 parsed_1qet 2
9 1 1 . . . . . . . . B 7 C H42 parsed_1qet 2
9 1 2 . . . . . . . . 1 2 G O6 parsed_1qet 2
10 1 1 . . . . . . . . B 2 G O6 parsed_1qet 2
10 1 2 . . . . . . . . 1 7 C H42 parsed_1qet 2
11 1 1 . . . . . . . . B 2 G H1 parsed_1qet 2
11 1 2 . . . . . . . . 1 7 C N3 parsed_1qet 2
12 1 1 . . . . . . . . B 2 G H22 parsed_1qet 2
12 1 2 . . . . . . . . 1 7 C O2 parsed_1qet 2
13 1 1 . . . . . . . . 1 3 A N1 parsed_1qet 2
13 1 2 . . . . . . . . B 6 U H3 parsed_1qet 2
14 1 1 . . . . . . . . B 6 U O4 parsed_1qet 2
14 1 2 . . . . . . . . 1 3 A H61 parsed_1qet 2
15 1 1 . . . . . . . . B 3 A H61 parsed_1qet 2
15 1 2 . . . . . . . . 1 6 U O4 parsed_1qet 2
16 1 1 . . . . . . . . B 3 A N1 parsed_1qet 2
16 1 2 . . . . . . . . 1 6 U H3 parsed_1qet 2
17 1 1 . . . . . . . . B 5 G H1 parsed_1qet 2
17 1 2 . . . . . . . . 1 4 U O2 parsed_1qet 2
18 1 1 . . . . . . . . B 5 G O6 parsed_1qet 2
18 1 2 . . . . . . . . 1 4 U H3 parsed_1qet 2
19 1 1 . . . . . . . . B 4 U H3 parsed_1qet 2
19 1 2 . . . . . . . . 1 5 G O6 parsed_1qet 2
20 1 1 . . . . . . . . B 4 U O2 parsed_1qet 2
20 1 2 . . . . . . . . 1 5 G H1 parsed_1qet 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_1qet 2
2 1 . . . . . . 1.600 2.000 parsed_1qet 2
3 1 . . . . . . 1.600 2.000 parsed_1qet 2
4 1 . . . . . . 1.600 2.000 parsed_1qet 2
5 1 . . . . . . 1.600 2.000 parsed_1qet 2
6 1 . . . . . . 1.600 2.000 parsed_1qet 2
7 1 . . . . . . 1.600 2.000 parsed_1qet 2
8 1 . . . . . . 1.600 2.000 parsed_1qet 2
9 1 . . . . . . 1.600 2.000 parsed_1qet 2
10 1 . . . . . . 1.600 2.000 parsed_1qet 2
11 1 . . . . . . 1.600 2.000 parsed_1qet 2
12 1 . . . . . . 1.600 2.000 parsed_1qet 2
13 1 . . . . . . 1.600 2.000 parsed_1qet 2
14 1 . . . . . . 1.600 2.000 parsed_1qet 2
15 1 . . . . . . 1.600 2.000 parsed_1qet 2
16 1 . . . . . . 1.600 2.000 parsed_1qet 2
17 1 . . . . . . 1.600 2.000 parsed_1qet 2
18 1 . . . . . . 1.600 2.000 parsed_1qet 2
19 1 . . . . . . 1.600 2.000 parsed_1qet 2
20 1 . . . . . . 1.600 2.000 parsed_1qet 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_1qet 2
2 "*** G2:C7 ***" 10 1 10 15 parsed_1qet 2
3 "*** A3:U6 ***" 17 1 17 15 parsed_1qet 2
4 "*** U4:G5 ***" 22 1 22 15 parsed_1qet 2
stop_
save_
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