NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
35286 |
1laq   |
cing | 2-parsed | STAR | distance | NOE | ambi | 182 |
data_1laq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1laq
_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_1laq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1laq
_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 1laq "Master copy" parsed_1laq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1laq
_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 1laq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 3 distance NOE ambi 182 parsed_1laq 1
1 1laq.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 5 distance NOE ambi 0 parsed_1laq 1
1 1laq.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 7 distance NOE ambi 0 parsed_1laq 1
1 1laq.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 9 distance NOE ambi 0 parsed_1laq 1
1 1laq.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 13 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 15 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . "MR format" 17 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1laq 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1laq
_Distance_constraint_list.ID 1
_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_1laq 1
2 1 . . . parsed_1laq 1
3 1 . . . parsed_1laq 1
4 1 . . . parsed_1laq 1
5 1 . . . parsed_1laq 1
6 1 . . . parsed_1laq 1
7 1 . . . parsed_1laq 1
8 1 . . . parsed_1laq 1
9 1 . . . parsed_1laq 1
10 1 . . . parsed_1laq 1
11 1 . . . parsed_1laq 1
12 1 . . . parsed_1laq 1
13 1 . . . parsed_1laq 1
14 1 . . . parsed_1laq 1
15 1 . . . parsed_1laq 1
16 1 . . . parsed_1laq 1
17 1 . . . parsed_1laq 1
18 1 . . . parsed_1laq 1
19 1 . . . parsed_1laq 1
20 1 . . . parsed_1laq 1
21 1 . . . parsed_1laq 1
22 1 . . . parsed_1laq 1
23 1 . . . parsed_1laq 1
24 1 . . . parsed_1laq 1
25 1 . . . parsed_1laq 1
26 1 . . . parsed_1laq 1
27 1 . . . parsed_1laq 1
28 1 . . . parsed_1laq 1
29 1 . . . parsed_1laq 1
30 1 . . . parsed_1laq 1
31 1 . . . parsed_1laq 1
32 1 . . . parsed_1laq 1
33 1 . . . parsed_1laq 1
34 1 . . . parsed_1laq 1
35 1 . . . parsed_1laq 1
36 1 . . . parsed_1laq 1
37 1 . . . parsed_1laq 1
38 1 . . . parsed_1laq 1
39 1 . . . parsed_1laq 1
40 1 . . . parsed_1laq 1
41 1 . . . parsed_1laq 1
42 1 . . . parsed_1laq 1
43 1 . . . parsed_1laq 1
44 1 . . . parsed_1laq 1
45 1 . . . parsed_1laq 1
46 1 . . . parsed_1laq 1
47 1 . . . parsed_1laq 1
48 1 . . . parsed_1laq 1
49 1 . . . parsed_1laq 1
50 1 . . . parsed_1laq 1
51 1 . . . parsed_1laq 1
52 1 . . . parsed_1laq 1
53 1 . . . parsed_1laq 1
54 1 . . . parsed_1laq 1
55 1 . . . parsed_1laq 1
56 1 . . . parsed_1laq 1
57 1 . . . parsed_1laq 1
58 1 . . . parsed_1laq 1
59 1 . . . parsed_1laq 1
60 1 . . . parsed_1laq 1
61 1 . . . parsed_1laq 1
62 1 . . . parsed_1laq 1
63 1 . . . parsed_1laq 1
64 1 . . . parsed_1laq 1
65 1 . . . parsed_1laq 1
66 1 . . . parsed_1laq 1
67 1 . . . parsed_1laq 1
68 1 . . . parsed_1laq 1
69 1 . . . parsed_1laq 1
70 1 . . . parsed_1laq 1
71 1 . . . parsed_1laq 1
72 1 . . . parsed_1laq 1
73 1 . . . parsed_1laq 1
74 1 . . . parsed_1laq 1
75 1 . . . parsed_1laq 1
76 1 . . . parsed_1laq 1
77 1 . . . parsed_1laq 1
78 1 . . . parsed_1laq 1
79 1 . . . parsed_1laq 1
80 1 . . . parsed_1laq 1
81 1 . . . parsed_1laq 1
82 1 . . . parsed_1laq 1
83 1 . . . parsed_1laq 1
84 1 . . . parsed_1laq 1
85 1 . . . parsed_1laq 1
86 1 . . . parsed_1laq 1
87 1 . . . parsed_1laq 1
88 1 . . . parsed_1laq 1
89 1 . . . parsed_1laq 1
90 1 . . . parsed_1laq 1
91 1 . . . parsed_1laq 1
92 1 . . . parsed_1laq 1
93 1 . . . parsed_1laq 1
94 1 . . . parsed_1laq 1
95 1 . . . parsed_1laq 1
96 1 . . . parsed_1laq 1
97 1 . . . parsed_1laq 1
98 1 . . . parsed_1laq 1
99 1 . . . parsed_1laq 1
100 1 . . . parsed_1laq 1
101 1 . . . parsed_1laq 1
102 1 . . . parsed_1laq 1
103 1 . . . parsed_1laq 1
104 1 . . . parsed_1laq 1
105 1 . . . parsed_1laq 1
106 1 . . . parsed_1laq 1
107 1 . . . parsed_1laq 1
108 1 . . . parsed_1laq 1
109 1 . . . parsed_1laq 1
110 1 . . . parsed_1laq 1
111 1 . . . parsed_1laq 1
112 1 . . . parsed_1laq 1
113 1 . . . parsed_1laq 1
114 1 . . . parsed_1laq 1
115 1 . . . parsed_1laq 1
116 1 . . . parsed_1laq 1
117 1 . . . parsed_1laq 1
118 1 . . . parsed_1laq 1
119 1 . . . parsed_1laq 1
120 1 . . . parsed_1laq 1
121 1 . . . parsed_1laq 1
122 1 . . . parsed_1laq 1
123 1 . . . parsed_1laq 1
124 1 . . . parsed_1laq 1
125 1 . . . parsed_1laq 1
126 1 . . . parsed_1laq 1
127 1 . . . parsed_1laq 1
128 1 . . . parsed_1laq 1
129 1 . . . parsed_1laq 1
130 1 . . . parsed_1laq 1
131 1 . . . parsed_1laq 1
132 1 . . . parsed_1laq 1
133 1 . . . parsed_1laq 1
134 1 . . . parsed_1laq 1
135 1 . . . parsed_1laq 1
136 1 . . . parsed_1laq 1
137 1 . . . parsed_1laq 1
138 1 . . . parsed_1laq 1
139 1 . . . parsed_1laq 1
140 1 . . . parsed_1laq 1
141 1 . . . parsed_1laq 1
142 1 . . . parsed_1laq 1
143 1 . . . parsed_1laq 1
144 1 . . . parsed_1laq 1
145 1 . . . parsed_1laq 1
146 1 . . . parsed_1laq 1
147 1 . . . parsed_1laq 1
148 1 . . . parsed_1laq 1
149 1 . . . parsed_1laq 1
150 1 . . . parsed_1laq 1
151 1 . . . parsed_1laq 1
152 1 . . . parsed_1laq 1
153 1 . . . parsed_1laq 1
154 1 . . . parsed_1laq 1
155 1 . . . parsed_1laq 1
156 1 . . . parsed_1laq 1
157 1 . . . parsed_1laq 1
158 1 . . . parsed_1laq 1
159 1 . . . parsed_1laq 1
160 1 . . . parsed_1laq 1
161 1 . . . parsed_1laq 1
162 1 . . . parsed_1laq 1
163 1 . . . parsed_1laq 1
164 1 . . . parsed_1laq 1
165 1 . . . parsed_1laq 1
166 1 . . . parsed_1laq 1
167 1 . . . parsed_1laq 1
168 1 . . . parsed_1laq 1
169 1 . . . parsed_1laq 1
170 1 . . . parsed_1laq 1
171 1 . . . parsed_1laq 1
172 1 . . . parsed_1laq 1
173 1 . . . parsed_1laq 1
174 1 . . . parsed_1laq 1
175 1 . . . parsed_1laq 1
176 1 . . . parsed_1laq 1
177 1 . . . parsed_1laq 1
178 1 . . . parsed_1laq 1
179 1 . . . parsed_1laq 1
180 1 . . . parsed_1laq 1
181 1 . . . parsed_1laq 1
182 1 . . . parsed_1laq 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 . H6 parsed_1laq 1
1 1 2 . . . . . . . . . 1 . H1' parsed_1laq 1
2 1 1 . . . . . . . . . 1 . H6 parsed_1laq 1
2 1 2 . . . . . . . . . 1 . H2' parsed_1laq 1
3 1 1 . . . . . . . . . 1 . H6 parsed_1laq 1
3 1 2 . . . . . . . . . 1 . H3' parsed_1laq 1
4 1 1 . . . . . . . . . 1 . H6 parsed_1laq 1
4 1 2 . . . . . . . . . 1 . H4' parsed_1laq 1
5 1 1 . . . . . . . . . 1 . H5' parsed_1laq 1
5 1 1 . . . . . . . . . 1 . H5'' parsed_1laq 1
5 1 2 . . . . . . . . . 1 . H6 parsed_1laq 1
6 1 1 . . . . . . . . . 1 . H5' parsed_1laq 1
6 1 1 . . . . . . . . . 1 . H5'' parsed_1laq 1
6 1 2 . . . . . . . . . 1 . H1' parsed_1laq 1
7 1 1 . . . . . . . . . 1 . H2' parsed_1laq 1
7 1 2 . . . . . . . . . 1 . H3' parsed_1laq 1
8 1 1 . . . . . . . . . 1 . H5' parsed_1laq 1
8 1 1 . . . . . . . . . 1 . H5'' parsed_1laq 1
8 1 2 . . . . . . . . . 1 . H2' parsed_1laq 1
9 1 1 . . . . . . . . . 1 . H5' parsed_1laq 1
9 1 1 . . . . . . . . . 1 . H5'' parsed_1laq 1
9 1 2 . . . . . . . . . 1 . H2'' parsed_1laq 1
10 1 1 . . . . . . . . . 1 . H5' parsed_1laq 1
10 1 1 . . . . . . . . . 1 . H5'' parsed_1laq 1
10 1 2 . . . . . . . . . 1 . H3' parsed_1laq 1
11 1 1 . . . . . . . . . 2 . H8 parsed_1laq 1
11 1 2 . . . . . . . . . 1 . H1' parsed_1laq 1
12 1 1 . . . . . . . . . 2 . H8 parsed_1laq 1
12 1 2 . . . . . . . . . 1 . H2' parsed_1laq 1
13 1 1 . . . . . . . . . 2 . H8 parsed_1laq 1
13 1 2 . . . . . . . . . 1 . H2'' parsed_1laq 1
14 1 1 . . . . . . . . . 2 . H8 parsed_1laq 1
14 1 2 . . . . . . . . . 1 . H3' parsed_1laq 1
15 1 1 . . . . . . . . . 2 . H8 parsed_1laq 1
15 1 2 . . . . . . . . . 1 . H6 parsed_1laq 1
16 1 1 . . . . . . . . . 2 . H8 parsed_1laq 1
16 1 2 . . . . . . . . . 2 . H1' parsed_1laq 1
17 1 1 . . . . . . . . . 2 . H8 parsed_1laq 1
17 1 2 . . . . . . . . . 2 . H3' parsed_1laq 1
18 1 1 . . . . . . . . . 2 . H8 parsed_1laq 1
18 1 2 . . . . . . . . . 2 . H4' parsed_1laq 1
19 1 1 . . . . . . . . . 2 . H8 parsed_1laq 1
19 1 2 . . . . . . . . . 2 . H5' parsed_1laq 1
20 1 1 . . . . . . . . . 2 . H8 parsed_1laq 1
20 1 2 . . . . . . . . . 2 . H5'' parsed_1laq 1
21 1 1 . . . . . . . . . 2 . H8 parsed_1laq 1
21 1 2 . . . . . . . . . 3 . H5 parsed_1laq 1
22 1 1 . . . . . . . . . 2 . H1' parsed_1laq 1
22 1 2 . . . . . . . . . 3 . H4' parsed_1laq 1
23 1 1 . . . . . . . . . 3 . H6 parsed_1laq 1
23 1 2 . . . . . . . . . 2 . H8 parsed_1laq 1
24 1 1 . . . . . . . . . 3 . H5 parsed_1laq 1
24 1 2 . . . . . . . . . 2 . H3' parsed_1laq 1
25 1 1 . . . . . . . . . 3 . H6 parsed_1laq 1
25 1 2 . . . . . . . . . 3 . H1' parsed_1laq 1
26 1 1 . . . . . . . . . 3 . H6 parsed_1laq 1
26 1 2 . . . . . . . . . 3 . H3' parsed_1laq 1
27 1 1 . . . . . . . . . 4 . H8 parsed_1laq 1
27 1 2 . . . . . . . . . 3 . H2' parsed_1laq 1
28 1 1 . . . . . . . . . 4 . H8 parsed_1laq 1
28 1 2 . . . . . . . . . 3 . H2'' parsed_1laq 1
29 1 1 . . . . . . . . . 4 . H8 parsed_1laq 1
29 1 2 . . . . . . . . . 3 . H6 parsed_1laq 1
30 1 1 . . . . . . . . . 4 . H8 parsed_1laq 1
30 1 2 . . . . . . . . . 4 . H3' parsed_1laq 1
31 1 1 . . . . . . . . . 4 . H8 parsed_1laq 1
31 1 2 . . . . . . . . . 4 . H4' parsed_1laq 1
32 1 1 . . . . . . . . . 4 . H1' parsed_1laq 1
32 1 2 . . . . . . . . . 4 . H3' parsed_1laq 1
33 1 1 . . . . . . . . . 4 . H1' parsed_1laq 1
33 1 2 . . . . . . . . . 4 . H4' parsed_1laq 1
34 1 1 . . . . . . . . . 4 . H1' parsed_1laq 1
34 1 2 . . . . . . . . . 5 . H4' parsed_1laq 1
35 1 1 . . . . . . . . . 5 . H8 parsed_1laq 1
35 1 2 . . . . . . . . . 4 . H1' parsed_1laq 1
36 1 1 . . . . . . . . . 5 . H8 parsed_1laq 1
36 1 2 . . . . . . . . . 4 . H3' parsed_1laq 1
37 1 1 . . . . . . . . . 5 . H8 parsed_1laq 1
37 1 2 . . . . . . . . . 4 . H8 parsed_1laq 1
38 1 1 . . . . . . . . . 5 . H8 parsed_1laq 1
38 1 2 . . . . . . . . . 5 . H3' parsed_1laq 1
39 1 1 . . . . . . . . . 5 . H5' parsed_1laq 1
39 1 1 . . . . . . . . . 5 . H5'' parsed_1laq 1
39 1 2 . . . . . . . . . 5 . H8 parsed_1laq 1
40 1 1 . . . . . . . . . 5 . H1' parsed_1laq 1
40 1 2 . . . . . . . . . 5 . H3' parsed_1laq 1
41 1 1 . . . . . . . . . 5 . H2' parsed_1laq 1
41 1 2 . . . . . . . . . 5 . H4' parsed_1laq 1
42 1 1 . . . . . . . . . 5 . H8 parsed_1laq 1
42 1 2 . . . . . . . . . 6 . H5# parsed_1laq 1
43 1 1 . . . . . . . . . 6 . H6 parsed_1laq 1
43 1 2 . . . . . . . . . 5 . H2' parsed_1laq 1
44 1 1 . . . . . . . . . 6 . H6 parsed_1laq 1
44 1 2 . . . . . . . . . 5 . H3' parsed_1laq 1
45 1 1 . . . . . . . . . 6 . H6 parsed_1laq 1
45 1 2 . . . . . . . . . 5 . H8 parsed_1laq 1
46 1 1 . . . . . . . . . 6 . H5# parsed_1laq 1
46 1 2 . . . . . . . . . 5 . H1' parsed_1laq 1
47 1 1 . . . . . . . . . 6 . H5# parsed_1laq 1
47 1 2 . . . . . . . . . 5 . H2' parsed_1laq 1
48 1 1 . . . . . . . . . 6 . H5# parsed_1laq 1
48 1 2 . . . . . . . . . 5 . H3' parsed_1laq 1
49 1 1 . . . . . . . . . 6 . H6 parsed_1laq 1
49 1 2 . . . . . . . . . 6 . H2' parsed_1laq 1
50 1 1 . . . . . . . . . 6 . H6 parsed_1laq 1
50 1 2 . . . . . . . . . 6 . H3' parsed_1laq 1
51 1 1 . . . . . . . . . 6 . H6 parsed_1laq 1
51 1 2 . . . . . . . . . 6 . H4' parsed_1laq 1
52 1 1 . . . . . . . . . 6 . H5' parsed_1laq 1
52 1 1 . . . . . . . . . 6 . H5'' parsed_1laq 1
52 1 2 . . . . . . . . . 6 . H6 parsed_1laq 1
53 1 1 . . . . . . . . . 6 . H6 parsed_1laq 1
53 1 2 . . . . . . . . . 6 . H5# parsed_1laq 1
54 1 1 . . . . . . . . . 6 . H5# parsed_1laq 1
54 1 2 . . . . . . . . . 6 . H3' parsed_1laq 1
55 1 1 . . . . . . . . . 6 . H1' parsed_1laq 1
55 1 2 . . . . . . . . . 6 . H2' parsed_1laq 1
56 1 1 . . . . . . . . . 6 . H2' parsed_1laq 1
56 1 2 . . . . . . . . . 6 . H3' parsed_1laq 1
57 1 1 . . . . . . . . . 6 . H2'' parsed_1laq 1
57 1 2 . . . . . . . . . 6 . H3' parsed_1laq 1
58 1 1 . . . . . . . . . 6 . H2' parsed_1laq 1
58 1 2 . . . . . . . . . 6 . H4' parsed_1laq 1
59 1 1 . . . . . . . . . 7 . H6A1 parsed_1laq 1
59 1 1 . . . . . . . . . 7 . H6A2 parsed_1laq 1
59 1 2 . . . . . . . . . 6 . H6 parsed_1laq 1
60 1 1 . . . . . . . . . 7 . H8A2 parsed_1laq 1
60 1 2 . . . . . . . . . 6 . H6 parsed_1laq 1
61 1 1 . . . . . . . . . 7 . H7A2 parsed_1laq 1
61 1 2 . . . . . . . . . 6 . H6 parsed_1laq 1
62 1 1 . . . . . . . . . 7 . H8A1 parsed_1laq 1
62 1 2 . . . . . . . . . 6 . H5# parsed_1laq 1
63 1 1 . . . . . . . . . 7 . H6A1 parsed_1laq 1
63 1 1 . . . . . . . . . 7 . H6A2 parsed_1laq 1
63 1 2 . . . . . . . . . 8 . H5# parsed_1laq 1
64 1 1 . . . . . . . . . 7 . H8 parsed_1laq 1
64 1 2 . . . . . . . . . 21 . H2 parsed_1laq 1
65 1 1 . . . . . . . . . 8 . H5# parsed_1laq 1
65 1 2 . . . . . . . . . 7 . H3' parsed_1laq 1
66 1 1 . . . . . . . . . 8 . H2' parsed_1laq 1
66 1 1 . . . . . . . . . 8 . H2'' parsed_1laq 1
66 1 2 . . . . . . . . . 8 . H5# parsed_1laq 1
67 1 1 . . . . . . . . . 8 . H1' parsed_1laq 1
67 1 2 . . . . . . . . . 8 . H3' parsed_1laq 1
68 1 1 . . . . . . . . . 8 . H5# parsed_1laq 1
68 1 2 . . . . . . . . . 9 . H5 parsed_1laq 1
69 1 1 . . . . . . . . . 9 . H5 parsed_1laq 1
69 1 2 . . . . . . . . . 8 . H3' parsed_1laq 1
70 1 1 . . . . . . . . . 9 . H6 parsed_1laq 1
70 1 2 . . . . . . . . . 9 . H2' parsed_1laq 1
71 1 1 . . . . . . . . . 9 . H6 parsed_1laq 1
71 1 2 . . . . . . . . . 9 . H3' parsed_1laq 1
72 1 1 . . . . . . . . . 9 . H1' parsed_1laq 1
72 1 2 . . . . . . . . . 9 . H2' parsed_1laq 1
73 1 1 . . . . . . . . . 9 . H2' parsed_1laq 1
73 1 2 . . . . . . . . . 9 . H4' parsed_1laq 1
74 1 1 . . . . . . . . . 9 . H1' parsed_1laq 1
74 1 2 . . . . . . . . . 10 . H4' parsed_1laq 1
75 1 1 . . . . . . . . . 10 . H2' parsed_1laq 1
75 1 2 . . . . . . . . . 10 . H4' parsed_1laq 1
76 1 1 . . . . . . . . . 10 . H1' parsed_1laq 1
76 1 2 . . . . . . . . . 11 . H4' parsed_1laq 1
77 1 1 . . . . . . . . . 11 . H8 parsed_1laq 1
77 1 2 . . . . . . . . . 11 . H3' parsed_1laq 1
78 1 1 . . . . . . . . . 11 . H8 parsed_1laq 1
78 1 2 . . . . . . . . . 11 . H4' parsed_1laq 1
79 1 1 . . . . . . . . . 11 . H1' parsed_1laq 1
79 1 2 . . . . . . . . . 12 . H4' parsed_1laq 1
80 1 1 . . . . . . . . . 12 . H5 parsed_1laq 1
80 1 2 . . . . . . . . . 11 . H3' parsed_1laq 1
81 1 1 . . . . . . . . . 12 . H6 parsed_1laq 1
81 1 2 . . . . . . . . . 12 . H1' parsed_1laq 1
82 1 1 . . . . . . . . . 12 . H5 parsed_1laq 1
82 1 2 . . . . . . . . . 12 . H2' parsed_1laq 1
83 1 1 . . . . . . . . . 12 . H1' parsed_1laq 1
83 1 2 . . . . . . . . . 12 . H3' parsed_1laq 1
84 1 1 . . . . . . . . . 13 . H8 parsed_1laq 1
84 1 2 . . . . . . . . . 12 . H1' parsed_1laq 1
85 1 1 . . . . . . . . . 13 . H8 parsed_1laq 1
85 1 2 . . . . . . . . . 12 . H2' parsed_1laq 1
86 1 1 . . . . . . . . . 13 . H8 parsed_1laq 1
86 1 2 . . . . . . . . . 13 . H1' parsed_1laq 1
87 1 1 . . . . . . . . . 13 . H8 parsed_1laq 1
87 1 2 . . . . . . . . . 13 . H3' parsed_1laq 1
88 1 1 . . . . . . . . . 13 . H1' parsed_1laq 1
88 1 2 . . . . . . . . . 13 . H2' parsed_1laq 1
89 1 1 . . . . . . . . . 13 . H1' parsed_1laq 1
89 1 2 . . . . . . . . . 13 . H2'' parsed_1laq 1
90 1 1 . . . . . . . . . 13 . H1' parsed_1laq 1
90 1 2 . . . . . . . . . 13 . H3' parsed_1laq 1
91 1 1 . . . . . . . . . 13 . H2' parsed_1laq 1
91 1 2 . . . . . . . . . 13 . H3' parsed_1laq 1
92 1 1 . . . . . . . . . 14 . H6 parsed_1laq 1
92 1 2 . . . . . . . . . 14 . H1' parsed_1laq 1
93 1 1 . . . . . . . . . 14 . H6 parsed_1laq 1
93 1 2 . . . . . . . . . 14 . H2' parsed_1laq 1
94 1 1 . . . . . . . . . 14 . H6 parsed_1laq 1
94 1 2 . . . . . . . . . 14 . H3' parsed_1laq 1
95 1 1 . . . . . . . . . 14 . H6 parsed_1laq 1
95 1 2 . . . . . . . . . 14 . H4' parsed_1laq 1
96 1 1 . . . . . . . . . 14 . H5' parsed_1laq 1
96 1 1 . . . . . . . . . 14 . H5'' parsed_1laq 1
96 1 2 . . . . . . . . . 14 . H6 parsed_1laq 1
97 1 1 . . . . . . . . . 14 . H5' parsed_1laq 1
97 1 1 . . . . . . . . . 14 . H5'' parsed_1laq 1
97 1 2 . . . . . . . . . 14 . H1' parsed_1laq 1
98 1 1 . . . . . . . . . 14 . H2' parsed_1laq 1
98 1 2 . . . . . . . . . 14 . H3' parsed_1laq 1
99 1 1 . . . . . . . . . 14 . H5' parsed_1laq 1
99 1 1 . . . . . . . . . 14 . H5'' parsed_1laq 1
99 1 2 . . . . . . . . . 14 . H2' parsed_1laq 1
100 1 1 . . . . . . . . . 14 . H5' parsed_1laq 1
100 1 1 . . . . . . . . . 14 . H5'' parsed_1laq 1
100 1 2 . . . . . . . . . 14 . H2'' parsed_1laq 1
101 1 1 . . . . . . . . . 14 . H5' parsed_1laq 1
101 1 1 . . . . . . . . . 14 . H5'' parsed_1laq 1
101 1 2 . . . . . . . . . 14 . H3' parsed_1laq 1
102 1 1 . . . . . . . . . 14 . H1' parsed_1laq 1
102 1 2 . . . . . . . . . 15 . H4' parsed_1laq 1
103 1 1 . . . . . . . . . 15 . H8 parsed_1laq 1
103 1 2 . . . . . . . . . 14 . H1' parsed_1laq 1
104 1 1 . . . . . . . . . 15 . H8 parsed_1laq 1
104 1 2 . . . . . . . . . 14 . H2' parsed_1laq 1
105 1 1 . . . . . . . . . 15 . H8 parsed_1laq 1
105 1 2 . . . . . . . . . 14 . H2'' parsed_1laq 1
106 1 1 . . . . . . . . . 15 . H8 parsed_1laq 1
106 1 2 . . . . . . . . . 14 . H3' parsed_1laq 1
107 1 1 . . . . . . . . . 15 . H8 parsed_1laq 1
107 1 2 . . . . . . . . . 14 . H6 parsed_1laq 1
108 1 1 . . . . . . . . . 15 . H8 parsed_1laq 1
108 1 2 . . . . . . . . . 15 . H1' parsed_1laq 1
109 1 1 . . . . . . . . . 15 . H8 parsed_1laq 1
109 1 2 . . . . . . . . . 15 . H3' parsed_1laq 1
110 1 1 . . . . . . . . . 15 . H8 parsed_1laq 1
110 1 2 . . . . . . . . . 15 . H4' parsed_1laq 1
111 1 1 . . . . . . . . . 15 . H8 parsed_1laq 1
111 1 2 . . . . . . . . . 15 . H5' parsed_1laq 1
112 1 1 . . . . . . . . . 15 . H8 parsed_1laq 1
112 1 2 . . . . . . . . . 15 . H5'' parsed_1laq 1
113 1 1 . . . . . . . . . 15 . H8 parsed_1laq 1
113 1 2 . . . . . . . . . 16 . H5 parsed_1laq 1
114 1 1 . . . . . . . . . 16 . H6 parsed_1laq 1
114 1 2 . . . . . . . . . 15 . H8 parsed_1laq 1
115 1 1 . . . . . . . . . 16 . H5 parsed_1laq 1
115 1 2 . . . . . . . . . 15 . H3' parsed_1laq 1
116 1 1 . . . . . . . . . 16 . H6 parsed_1laq 1
116 1 2 . . . . . . . . . 16 . H1' parsed_1laq 1
117 1 1 . . . . . . . . . 16 . H6 parsed_1laq 1
117 1 2 . . . . . . . . . 16 . H3' parsed_1laq 1
118 1 1 . . . . . . . . . 16 . H1' parsed_1laq 1
118 1 2 . . . . . . . . . 17 . H4' parsed_1laq 1
119 1 1 . . . . . . . . . 17 . H8 parsed_1laq 1
119 1 2 . . . . . . . . . 16 . H1' parsed_1laq 1
120 1 1 . . . . . . . . . 17 . H8 parsed_1laq 1
120 1 2 . . . . . . . . . 16 . H2' parsed_1laq 1
121 1 1 . . . . . . . . . 17 . H8 parsed_1laq 1
121 1 2 . . . . . . . . . 16 . H2'' parsed_1laq 1
122 1 1 . . . . . . . . . 17 . H8 parsed_1laq 1
122 1 2 . . . . . . . . . 16 . H3' parsed_1laq 1
123 1 1 . . . . . . . . . 17 . H8 parsed_1laq 1
123 1 2 . . . . . . . . . 16 . H6 parsed_1laq 1
124 1 1 . . . . . . . . . 17 . H8 parsed_1laq 1
124 1 2 . . . . . . . . . 17 . H1' parsed_1laq 1
125 1 1 . . . . . . . . . 17 . H8 parsed_1laq 1
125 1 2 . . . . . . . . . 17 . H3' parsed_1laq 1
126 1 1 . . . . . . . . . 17 . H8 parsed_1laq 1
126 1 2 . . . . . . . . . 17 . H4' parsed_1laq 1
127 1 1 . . . . . . . . . 17 . H8 parsed_1laq 1
127 1 2 . . . . . . . . . 17 . H5'' parsed_1laq 1
128 1 1 . . . . . . . . . 17 . H1' parsed_1laq 1
128 1 2 . . . . . . . . . 17 . H3' parsed_1laq 1
129 1 1 . . . . . . . . . 17 . H1' parsed_1laq 1
129 1 2 . . . . . . . . . 17 . H4' parsed_1laq 1
130 1 1 . . . . . . . . . 18 . H8 parsed_1laq 1
130 1 2 . . . . . . . . . 18 . H3' parsed_1laq 1
131 1 1 . . . . . . . . . 18 . H8 parsed_1laq 1
131 1 2 . . . . . . . . . 18 . H4' parsed_1laq 1
132 1 1 . . . . . . . . . 18 . H1' parsed_1laq 1
132 1 2 . . . . . . . . . 18 . H4' parsed_1laq 1
133 1 1 . . . . . . . . . 19 . H2 parsed_1laq 1
133 1 2 . . . . . . . . . 9 . H1' parsed_1laq 1
134 1 1 . . . . . . . . . 19 . H8 parsed_1laq 1
134 1 2 . . . . . . . . . 18 . H1' parsed_1laq 1
135 1 1 . . . . . . . . . 19 . H8 parsed_1laq 1
135 1 2 . . . . . . . . . 19 . H1' parsed_1laq 1
136 1 1 . . . . . . . . . 19 . H1' parsed_1laq 1
136 1 2 . . . . . . . . . 19 . H3' parsed_1laq 1
137 1 1 . . . . . . . . . 19 . H2' parsed_1laq 1
137 1 2 . . . . . . . . . 19 . H4' parsed_1laq 1
138 1 1 . . . . . . . . . 19 . H2 parsed_1laq 1
138 1 2 . . . . . . . . . 20 . H1' parsed_1laq 1
139 1 1 . . . . . . . . . 20 . H1' parsed_1laq 1
139 1 2 . . . . . . . . . 20 . H2' parsed_1laq 1
140 1 1 . . . . . . . . . 20 . H1' parsed_1laq 1
140 1 2 . . . . . . . . . 20 . H3' parsed_1laq 1
141 1 1 . . . . . . . . . 20 . H2' parsed_1laq 1
141 1 2 . . . . . . . . . 20 . H4' parsed_1laq 1
142 1 1 . . . . . . . . . 21 . H8 parsed_1laq 1
142 1 2 . . . . . . . . . 20 . H1' parsed_1laq 1
143 1 1 . . . . . . . . . 21 . H8 parsed_1laq 1
143 1 2 . . . . . . . . . 20 . H2' parsed_1laq 1
144 1 1 . . . . . . . . . 21 . H8 parsed_1laq 1
144 1 2 . . . . . . . . . 20 . H2'' parsed_1laq 1
145 1 1 . . . . . . . . . 21 . H8 parsed_1laq 1
145 1 2 . . . . . . . . . 21 . H1' parsed_1laq 1
146 1 1 . . . . . . . . . 21 . H2' parsed_1laq 1
146 1 1 . . . . . . . . . 21 . H2'' parsed_1laq 1
146 1 2 . . . . . . . . . 21 . H8 parsed_1laq 1
147 1 1 . . . . . . . . . 21 . H2' parsed_1laq 1
147 1 1 . . . . . . . . . 21 . H2'' parsed_1laq 1
147 1 2 . . . . . . . . . 21 . H1' parsed_1laq 1
148 1 1 . . . . . . . . . 21 . H1' parsed_1laq 1
148 1 2 . . . . . . . . . 21 . H3' parsed_1laq 1
149 1 1 . . . . . . . . . 21 . H2' parsed_1laq 1
149 1 1 . . . . . . . . . 21 . H2'' parsed_1laq 1
149 1 2 . . . . . . . . . 21 . H4' parsed_1laq 1
150 1 1 . . . . . . . . . 21 . H8 parsed_1laq 1
150 1 2 . . . . . . . . . 22 . H5 parsed_1laq 1
151 1 1 . . . . . . . . . 22 . H6 parsed_1laq 1
151 1 2 . . . . . . . . . 21 . H1' parsed_1laq 1
152 1 1 . . . . . . . . . 22 . H6 parsed_1laq 1
152 1 2 . . . . . . . . . 21 . H8 parsed_1laq 1
153 1 1 . . . . . . . . . 22 . H5 parsed_1laq 1
153 1 2 . . . . . . . . . 21 . H1' parsed_1laq 1
154 1 1 . . . . . . . . . 21 . H2' parsed_1laq 1
154 1 1 . . . . . . . . . 21 . H2'' parsed_1laq 1
154 1 2 . . . . . . . . . 22 . H5 parsed_1laq 1
155 1 1 . . . . . . . . . 22 . H5 parsed_1laq 1
155 1 2 . . . . . . . . . 21 . H3' parsed_1laq 1
156 1 1 . . . . . . . . . 22 . H6 parsed_1laq 1
156 1 2 . . . . . . . . . 22 . H3' parsed_1laq 1
157 1 1 . . . . . . . . . 22 . H5 parsed_1laq 1
157 1 2 . . . . . . . . . 22 . H2' parsed_1laq 1
158 1 1 . . . . . . . . . 22 . H1' parsed_1laq 1
158 1 2 . . . . . . . . . 22 . H2' parsed_1laq 1
159 1 1 . . . . . . . . . 22 . H1' parsed_1laq 1
159 1 2 . . . . . . . . . 22 . H3' parsed_1laq 1
160 1 1 . . . . . . . . . 22 . H2' parsed_1laq 1
160 1 2 . . . . . . . . . 22 . H4' parsed_1laq 1
161 1 1 . . . . . . . . . 22 . H1' parsed_1laq 1
161 1 2 . . . . . . . . . 23 . H4' parsed_1laq 1
162 1 1 . . . . . . . . . 23 . H6 parsed_1laq 1
162 1 2 . . . . . . . . . 22 . H1' parsed_1laq 1
163 1 1 . . . . . . . . . 23 . H6 parsed_1laq 1
163 1 2 . . . . . . . . . 22 . H3' parsed_1laq 1
164 1 1 . . . . . . . . . 23 . H5 parsed_1laq 1
164 1 2 . . . . . . . . . 22 . H1' parsed_1laq 1
165 1 1 . . . . . . . . . 23 . H5 parsed_1laq 1
165 1 2 . . . . . . . . . 22 . H3' parsed_1laq 1
166 1 1 . . . . . . . . . 23 . H6 parsed_1laq 1
166 1 2 . . . . . . . . . 23 . H3' parsed_1laq 1
167 1 1 . . . . . . . . . 23 . H1' parsed_1laq 1
167 1 2 . . . . . . . . . 24 . H4' parsed_1laq 1
168 1 1 . . . . . . . . . 24 . H8 parsed_1laq 1
168 1 2 . . . . . . . . . 24 . H3' parsed_1laq 1
169 1 1 . . . . . . . . . 24 . H8 parsed_1laq 1
169 1 2 . . . . . . . . . 24 . H4' parsed_1laq 1
170 1 1 . . . . . . . . . 24 . H1' parsed_1laq 1
170 1 2 . . . . . . . . . 25 . H4' parsed_1laq 1
171 1 1 . . . . . . . . . 25 . H5 parsed_1laq 1
171 1 2 . . . . . . . . . 24 . H3' parsed_1laq 1
172 1 1 . . . . . . . . . 25 . H6 parsed_1laq 1
172 1 2 . . . . . . . . . 25 . H1' parsed_1laq 1
173 1 1 . . . . . . . . . 25 . H5 parsed_1laq 1
173 1 2 . . . . . . . . . 25 . H2' parsed_1laq 1
174 1 1 . . . . . . . . . 25 . H1' parsed_1laq 1
174 1 2 . . . . . . . . . 25 . H3' parsed_1laq 1
175 1 1 . . . . . . . . . 26 . H8 parsed_1laq 1
175 1 2 . . . . . . . . . 25 . H1' parsed_1laq 1
176 1 1 . . . . . . . . . 26 . H8 parsed_1laq 1
176 1 2 . . . . . . . . . 25 . H2' parsed_1laq 1
177 1 1 . . . . . . . . . 26 . H8 parsed_1laq 1
177 1 2 . . . . . . . . . 26 . H1' parsed_1laq 1
178 1 1 . . . . . . . . . 26 . H8 parsed_1laq 1
178 1 2 . . . . . . . . . 26 . H3' parsed_1laq 1
179 1 1 . . . . . . . . . 26 . H1' parsed_1laq 1
179 1 2 . . . . . . . . . 26 . H2' parsed_1laq 1
180 1 1 . . . . . . . . . 26 . H1' parsed_1laq 1
180 1 2 . . . . . . . . . 26 . H2'' parsed_1laq 1
181 1 1 . . . . . . . . . 26 . H1' parsed_1laq 1
181 1 2 . . . . . . . . . 26 . H3' parsed_1laq 1
182 1 1 . . . . . . . . . 26 . H2' parsed_1laq 1
182 1 2 . . . . . . . . . 26 . H3' parsed_1laq 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 . . . . . 3.02 2.36 3.68 parsed_1laq 1
2 1 . . . . . 2.82 2.20 3.43 parsed_1laq 1
3 1 . . . . . 3.60 2.71 4.49 parsed_1laq 1
4 1 . . . . . 4.17 3.11 5.24 parsed_1laq 1
5 1 . . . . . 2.65 1.99 3.32 parsed_1laq 1
6 1 . . . . . 4.88 3.95 5.81 parsed_1laq 1
7 1 . . . . . 2.35 2.10 2.60 parsed_1laq 1
8 1 . . . . . 3.31 2.61 4.02 parsed_1laq 1
9 1 . . . . . 4.07 3.13 5.02 parsed_1laq 1
10 1 . . . . . 2.94 2.09 3.79 parsed_1laq 1
11 1 . . . . . 2.99 2.22 3.75 parsed_1laq 1
12 1 . . . . . 3.47 3.00 3.94 parsed_1laq 1
13 1 . . . . . 2.69 2.29 3.09 parsed_1laq 1
14 1 . . . . . 3.98 3.02 4.94 parsed_1laq 1
15 1 . . . . . 5.00 4.60 5.40 parsed_1laq 1
16 1 . . . . . 3.54 2.85 4.22 parsed_1laq 1
17 1 . . . . . 3.71 2.90 4.51 parsed_1laq 1
18 1 . . . . . 3.71 2.33 5.09 parsed_1laq 1
19 1 . . . . . 3.24 2.64 3.83 parsed_1laq 1
20 1 . . . . . 3.73 2.88 4.58 parsed_1laq 1
21 1 . . . . . 3.49 2.23 4.75 parsed_1laq 1
22 1 . . . . . 5.00 4.80 5.20 parsed_1laq 1
23 1 . . . . . 5.00 4.60 5.40 parsed_1laq 1
24 1 . . . . . 4.16 2.73 5.58 parsed_1laq 1
25 1 . . . . . 2.96 2.10 3.83 parsed_1laq 1
26 1 . . . . . 3.38 2.18 4.59 parsed_1laq 1
27 1 . . . . . 3.42 3.00 3.84 parsed_1laq 1
28 1 . . . . . 2.65 2.30 3.00 parsed_1laq 1
29 1 . . . . . 5.00 4.60 5.40 parsed_1laq 1
30 1 . . . . . 3.32 2.06 4.57 parsed_1laq 1
31 1 . . . . . 5.13 3.97 6.29 parsed_1laq 1
32 1 . . . . . 2.93 1.79 4.07 parsed_1laq 1
33 1 . . . . . 3.38 2.50 4.26 parsed_1laq 1
34 1 . . . . . 5.00 4.80 5.20 parsed_1laq 1
35 1 . . . . . 3.02 2.19 3.85 parsed_1laq 1
36 1 . . . . . 3.86 2.85 4.87 parsed_1laq 1
37 1 . . . . . 5.00 4.60 5.40 parsed_1laq 1
38 1 . . . . . 4.01 3.25 4.77 parsed_1laq 1
39 1 . . . . . 3.76 2.79 4.73 parsed_1laq 1
40 1 . . . . . 3.27 2.21 4.33 parsed_1laq 1
41 1 . . . . . 3.01 1.76 4.26 parsed_1laq 1
42 1 . . . . . 3.82 2.89 4.74 parsed_1laq 1
43 1 . . . . . 3.49 3.00 3.98 parsed_1laq 1
44 1 . . . . . 4.33 3.54 5.12 parsed_1laq 1
45 1 . . . . . 5.00 4.60 5.40 parsed_1laq 1
46 1 . . . . . 4.71 3.79 5.63 parsed_1laq 1
47 1 . . . . . 3.18 2.70 3.66 parsed_1laq 1
48 1 . . . . . 4.35 3.46 5.24 parsed_1laq 1
49 1 . . . . . 2.48 2.27 2.69 parsed_1laq 1
50 1 . . . . . 3.52 2.37 4.67 parsed_1laq 1
51 1 . . . . . 3.51 2.43 4.59 parsed_1laq 1
52 1 . . . . . 3.64 2.90 4.38 parsed_1laq 1
53 1 . . . . . 2.62 2.32 2.92 parsed_1laq 1
54 1 . . . . . 5.59 4.62 6.56 parsed_1laq 1
55 1 . . . . . 2.63 2.20 3.06 parsed_1laq 1
56 1 . . . . . 2.55 2.22 2.88 parsed_1laq 1
57 1 . . . . . 2.50 2.25 2.75 parsed_1laq 1
58 1 . . . . . 3.40 2.22 4.58 parsed_1laq 1
59 1 . . . . . 4.39 3.74 5.04 parsed_1laq 1
60 1 . . . . . 2.90 1.96 3.84 parsed_1laq 1
61 1 . . . . . 3.78 2.83 4.73 parsed_1laq 1
62 1 . . . . . 3.40 2.67 4.13 parsed_1laq 1
63 1 . . . . . 4.50 4.00 5.00 parsed_1laq 1
64 1 . . . . . 3.25 2.51 3.98 parsed_1laq 1
65 1 . . . . . 5.06 4.04 6.08 parsed_1laq 1
66 1 . . . . . 4.32 3.37 5.27 parsed_1laq 1
67 1 . . . . . 3.15 1.80 4.50 parsed_1laq 1
68 1 . . . . . 5.12 4.15 6.09 parsed_1laq 1
69 1 . . . . . 4.24 2.83 5.65 parsed_1laq 1
70 1 . . . . . 2.58 2.17 2.98 parsed_1laq 1
71 1 . . . . . 3.45 2.44 4.46 parsed_1laq 1
72 1 . . . . . 2.37 1.82 2.92 parsed_1laq 1
73 1 . . . . . 2.88 1.97 3.78 parsed_1laq 1
74 1 . . . . . 5.00 4.80 5.20 parsed_1laq 1
75 1 . . . . . 3.67 2.75 4.59 parsed_1laq 1
76 1 . . . . . 5.00 4.80 5.20 parsed_1laq 1
77 1 . . . . . 3.73 2.86 4.60 parsed_1laq 1
78 1 . . . . . 4.16 2.88 5.44 parsed_1laq 1
79 1 . . . . . 5.00 4.80 5.20 parsed_1laq 1
80 1 . . . . . 4.56 3.27 5.85 parsed_1laq 1
81 1 . . . . . 3.17 2.25 4.09 parsed_1laq 1
82 1 . . . . . 3.50 2.10 4.91 parsed_1laq 1
83 1 . . . . . 3.02 2.03 4.02 parsed_1laq 1
84 1 . . . . . 3.45 2.74 4.16 parsed_1laq 1
85 1 . . . . . 3.51 3.00 4.02 parsed_1laq 1
86 1 . . . . . 3.43 2.55 4.31 parsed_1laq 1
87 1 . . . . . 3.30 2.34 4.26 parsed_1laq 1
88 1 . . . . . 2.49 1.96 3.02 parsed_1laq 1
89 1 . . . . . 2.21 2.05 2.36 parsed_1laq 1
90 1 . . . . . 3.62 2.26 4.98 parsed_1laq 1
91 1 . . . . . 2.40 2.21 2.59 parsed_1laq 1
92 1 . . . . . 3.18 2.34 4.02 parsed_1laq 1
93 1 . . . . . 2.33 2.08 2.58 parsed_1laq 1
94 1 . . . . . 3.65 2.68 4.61 parsed_1laq 1
95 1 . . . . . 4.15 3.05 5.26 parsed_1laq 1
96 1 . . . . . 3.29 2.48 4.11 parsed_1laq 1
97 1 . . . . . 4.88 4.14 5.62 parsed_1laq 1
98 1 . . . . . 2.59 2.15 3.03 parsed_1laq 1
99 1 . . . . . 3.33 2.64 4.01 parsed_1laq 1
100 1 . . . . . 4.06 3.12 5.01 parsed_1laq 1
101 1 . . . . . 2.88 2.03 3.73 parsed_1laq 1
102 1 . . . . . 5.00 4.80 5.20 parsed_1laq 1
103 1 . . . . . 3.13 2.38 3.88 parsed_1laq 1
104 1 . . . . . 3.48 3.00 3.96 parsed_1laq 1
105 1 . . . . . 2.65 2.30 3.00 parsed_1laq 1
106 1 . . . . . 4.19 3.24 5.14 parsed_1laq 1
107 1 . . . . . 5.00 4.60 5.40 parsed_1laq 1
108 1 . . . . . 3.38 2.82 3.94 parsed_1laq 1
109 1 . . . . . 3.72 2.99 4.45 parsed_1laq 1
110 1 . . . . . 3.75 2.40 5.09 parsed_1laq 1
111 1 . . . . . 3.22 2.70 3.74 parsed_1laq 1
112 1 . . . . . 3.88 3.03 4.73 parsed_1laq 1
113 1 . . . . . 3.65 2.55 4.75 parsed_1laq 1
114 1 . . . . . 5.00 4.60 5.40 parsed_1laq 1
115 1 . . . . . 4.35 2.96 5.74 parsed_1laq 1
116 1 . . . . . 3.12 2.35 3.88 parsed_1laq 1
117 1 . . . . . 3.58 2.75 4.41 parsed_1laq 1
118 1 . . . . . 5.00 4.80 5.20 parsed_1laq 1
119 1 . . . . . 3.08 2.14 4.03 parsed_1laq 1
120 1 . . . . . 3.50 3.00 4.00 parsed_1laq 1
121 1 . . . . . 2.68 2.30 3.07 parsed_1laq 1
122 1 . . . . . 4.95 4.12 5.78 parsed_1laq 1
123 1 . . . . . 5.00 4.60 5.40 parsed_1laq 1
124 1 . . . . . 2.74 1.59 3.89 parsed_1laq 1
125 1 . . . . . 3.49 2.68 4.29 parsed_1laq 1
126 1 . . . . . 4.17 2.34 6.00 parsed_1laq 1
127 1 . . . . . 3.87 3.00 4.74 parsed_1laq 1
128 1 . . . . . 3.46 2.42 4.50 parsed_1laq 1
129 1 . . . . . 3.30 2.19 4.41 parsed_1laq 1
130 1 . . . . . 3.48 2.54 4.42 parsed_1laq 1
131 1 . . . . . 5.12 3.47 6.78 parsed_1laq 1
132 1 . . . . . 3.29 2.33 4.25 parsed_1laq 1
133 1 . . . . . 4.17 3.34 5.00 parsed_1laq 1
134 1 . . . . . 3.05 2.14 3.96 parsed_1laq 1
135 1 . . . . . 3.40 2.64 4.16 parsed_1laq 1
136 1 . . . . . 3.63 2.55 4.71 parsed_1laq 1
137 1 . . . . . 3.89 2.76 5.02 parsed_1laq 1
138 1 . . . . . 4.04 3.08 5.00 parsed_1laq 1
139 1 . . . . . 2.54 2.05 3.02 parsed_1laq 1
140 1 . . . . . 3.04 1.87 4.21 parsed_1laq 1
141 1 . . . . . 3.32 2.11 4.53 parsed_1laq 1
142 1 . . . . . 3.11 2.25 3.97 parsed_1laq 1
143 1 . . . . . 3.21 2.51 3.90 parsed_1laq 1
144 1 . . . . . 3.05 2.14 3.96 parsed_1laq 1
145 1 . . . . . 2.71 1.54 3.88 parsed_1laq 1
146 1 . . . . . 2.88 2.44 3.32 parsed_1laq 1
147 1 . . . . . 2.40 2.04 2.76 parsed_1laq 1
148 1 . . . . . 2.83 1.79 3.86 parsed_1laq 1
149 1 . . . . . 3.50 2.31 4.68 parsed_1laq 1
150 1 . . . . . 3.94 3.13 4.75 parsed_1laq 1
151 1 . . . . . 3.16 2.45 3.87 parsed_1laq 1
152 1 . . . . . 5.00 4.60 5.40 parsed_1laq 1
153 1 . . . . . 3.37 2.04 4.70 parsed_1laq 1
154 1 . . . . . 3.49 2.75 4.23 parsed_1laq 1
155 1 . . . . . 4.16 3.03 5.29 parsed_1laq 1
156 1 . . . . . 3.63 2.48 4.78 parsed_1laq 1
157 1 . . . . . 3.16 1.65 4.66 parsed_1laq 1
158 1 . . . . . 3.02 2.27 3.77 parsed_1laq 1
159 1 . . . . . 3.07 1.92 4.22 parsed_1laq 1
160 1 . . . . . 3.01 1.87 4.15 parsed_1laq 1
161 1 . . . . . 5.00 4.80 5.20 parsed_1laq 1
162 1 . . . . . 3.20 2.42 3.97 parsed_1laq 1
163 1 . . . . . 4.12 2.97 5.27 parsed_1laq 1
164 1 . . . . . 3.54 2.38 4.70 parsed_1laq 1
165 1 . . . . . 3.65 2.05 5.25 parsed_1laq 1
166 1 . . . . . 3.80 2.56 5.05 parsed_1laq 1
167 1 . . . . . 5.00 4.80 5.20 parsed_1laq 1
168 1 . . . . . 3.79 2.83 4.75 parsed_1laq 1
169 1 . . . . . 4.11 2.68 5.53 parsed_1laq 1
170 1 . . . . . 5.00 4.80 5.20 parsed_1laq 1
171 1 . . . . . 4.55 3.02 6.08 parsed_1laq 1
172 1 . . . . . 3.00 2.10 3.90 parsed_1laq 1
173 1 . . . . . 3.37 2.00 4.74 parsed_1laq 1
174 1 . . . . . 2.88 1.97 3.80 parsed_1laq 1
175 1 . . . . . 3.40 2.63 4.17 parsed_1laq 1
176 1 . . . . . 3.49 3.00 3.97 parsed_1laq 1
177 1 . . . . . 3.27 2.45 4.09 parsed_1laq 1
178 1 . . . . . 3.24 2.24 4.24 parsed_1laq 1
179 1 . . . . . 2.44 1.88 3.00 parsed_1laq 1
180 1 . . . . . 2.18 2.02 2.34 parsed_1laq 1
181 1 . . . . . 3.47 2.04 4.90 parsed_1laq 1
182 1 . . . . . 2.41 2.16 2.65 parsed_1laq 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 nc 1 81 1 91 parsed_1laq 1
2 nc 2 81 2 91 parsed_1laq 1
3 ub+0.5 3 81 3 91 parsed_1laq 1
4 ub+1 4 81 4 91 parsed_1laq 1
5
;
nc
assign ( resid 1 and name H5 )( resid 1 and name H3' ) 3.35 0.81 0.81 ! OFF
;
6 81 7 93 parsed_1laq 1
6 nc 9 81 9 91 parsed_1laq 1
7 nc 10 81 10 91 parsed_1laq 1
8 nc 12 81 12 91 parsed_1laq 1
9 ub+0.5 14 81 14 91 parsed_1laq 1
10 ub+1 16 81 16 91 parsed_1laq 1
11 nc 17 81 17 91 parsed_1laq 1
12 ub+1 18 81 18 91 parsed_1laq 1
13 lb=2.3 19 81 19 91 parsed_1laq 1
14 ub+0.5 20 81 20 91 parsed_1laq 1
15
;
gen
assign ( resid 2 and name H1' )( resid 1 and name Q5' ) 4.92 0.50 0.50 ! OFF
;
21 81 22 93 parsed_1laq 1
16 nc 23 81 23 91 parsed_1laq 1
17 ub+0.5 24 81 24 91 parsed_1laq 1
18 ub+1 25 81 25 91 parsed_1laq 1
19 nc 26 81 26 91 parsed_1laq 1
20 nc 27 81 27 91 parsed_1laq 1
21 ub+4.75 28 81 28 91 parsed_1laq 1
22 gen 29 81 29 91 parsed_1laq 1
23 gen 30 81 30 91 parsed_1laq 1
24 ub+1 31 81 31 91 parsed_1laq 1
25 ub+1 32 81 32 91 parsed_1laq 1
26
;
ub+1
assign ( resid 3 and name H5 )( resid 3 and name H3' ) 2.84 0.57 0.57 ! OFF
;
33 81 34 93 parsed_1laq 1
27 ub+0.3 35 81 35 91 parsed_1laq 1
28 lb=2.3 36 81 36 91 parsed_1laq 1
29 gen 37 81 37 91 parsed_1laq 1
30 ub+1.5 38 81 38 91 parsed_1laq 1
31 ub+1 39 81 39 91 parsed_1laq 1
32 ub+1 40 81 40 91 parsed_1laq 1
33 ub+1 41 81 41 91 parsed_1laq 1
34 gen 42 81 42 91 parsed_1laq 1
35 ub+1 43 81 43 91 parsed_1laq 1
36 ub+0.5 44 81 44 91 parsed_1laq 1
37 gen 45 81 45 91 parsed_1laq 1
38 ub+0.5 46 81 46 91 parsed_1laq 1
39 nc 48 81 48 91 parsed_1laq 1
40 ub+1 49 81 49 91 parsed_1laq 1
41 ub+1 50 81 50 91 parsed_1laq 1
42 ub+1 51 81 51 91 parsed_1laq 1
43 ub+1 52 81 52 91 parsed_1laq 1
44 nc 53 81 53 91 parsed_1laq 1
45 gen 54 81 54 91 parsed_1laq 1
46 nc 55 81 55 91 parsed_1laq 1
47 nc 56 81 56 91 parsed_1laq 1
48
;
ub+0.5
assign ( resid 6 and name H5# )( resid 5 and name H4' ) 6.55 0.70 0.70 ! OFF
;
57 81 58 93 parsed_1laq 1
49 nc 59 81 59 91 parsed_1laq 1
50 ub+1.5 60 81 60 91 parsed_1laq 1
51 ub+1 61 81 61 91 parsed_1laq 1
52 nc 63 81 63 91 parsed_1laq 1
53 nc 64 81 64 91 parsed_1laq 1
54 ub+0.5 65 81 65 91 parsed_1laq 1
55 ub+0.5 66 81 66 91 parsed_1laq 1
56 nc 67 81 67 91 parsed_1laq 1
57 nc 68 81 68 91 parsed_1laq 1
58 ub+1 69 81 69 91 parsed_1laq 1
59 nc 71 81 71 91 parsed_1laq 1
60 nc 72 81 72 91 parsed_1laq 1
61 ub+1.0 73 81 73 91 parsed_1laq 1
62
;
nc
assign ( resid 7 and name Q6A )( resid 6 and name H2' ) 3.47 0.51 0.51 ! OFF
assign ( resid 7 and name H8A2 )( resid 6 and name H2' ) 7.35 2.65 2.65 ! OFF
;
74 81 76 93 parsed_1laq 1
63
;
obsv
assign ( resid 7 and name H8A1 )( resid 8 and name H5# ) 7.50 2.50 2.50 ! OFF
assign ( resid 7 and name Q2' )( resid 8 and name Q2' ) 4.21 0.84 0.84 ! OFF
;
78 81 80 93 parsed_1laq 1
64 ub+1 81 81 81 91 parsed_1laq 1
65 ub+1 82 81 82 91 parsed_1laq 1
66 ub+1 84 81 84 91 parsed_1laq 1
67 ub+1 85 81 85 91 parsed_1laq 1
68 nc 86 81 86 91 parsed_1laq 1
69 ub+1 87 81 87 91 parsed_1laq 1
70 nc 88 81 88 91 parsed_1laq 1
71 ub+0.8 89 81 89 91 parsed_1laq 1
72 ub+0.5 90 81 90 91 parsed_1laq 1
73 ub+1 91 81 91 91 parsed_1laq 1
74 gen 92 81 92 91 parsed_1laq 1
75 ub+1 93 81 93 91 parsed_1laq 1
76 gen 94 81 94 91 parsed_1laq 1
77 ub+0.5 95 81 95 91 parsed_1laq 1
78 ub+1 96 81 96 91 parsed_1laq 1
79 gen 97 81 97 91 parsed_1laq 1
80 ub+1 98 81 98 91 parsed_1laq 1
81 ub+0.5 99 81 99 91 parsed_1laq 1
82
;
ub+1.5
assign ( resid 12 and name H5 )( resid 12 and name H2'' ) 3.75 0.52 0.51 ! OFF
assign ( resid 12 and name H5 )( resid 12 and name H3' ) 3.36 0.81 0.81 ! OFF
;
100 81 102 93 parsed_1laq 1
83 ub+1 103 81 103 91 parsed_1laq 1
84 nc 104 81 104 91 parsed_1laq 1
85 ub+0.5 105 81 105 91 parsed_1laq 1
86 nc 106 81 106 91 parsed_1laq 1
87 ub+0.5 107 81 107 91 parsed_1laq 1
88 ub+0.5 108 81 108 91 parsed_1laq 1
89 nc 109 81 109 91 parsed_1laq 1
90 ub+1 110 81 110 91 parsed_1laq 1
91 nc 111 81 111 91 parsed_1laq 1
92 ub+0.5 112 81 112 91 parsed_1laq 1
93 nc 113 81 113 91 parsed_1laq 1
94 ub+0.5 114 81 114 91 parsed_1laq 1
95 ub+1 115 81 115 91 parsed_1laq 1
96
;
ub+0.5
assign ( resid 14 and name H5 )( resid 14 and name H3' ) 3.39 0.81 0.81 ! OFF
;
117 81 118 93 parsed_1laq 1
97 nc 120 81 120 91 parsed_1laq 1
98 nc 121 81 121 91 parsed_1laq 1
99 nc 123 81 123 91 parsed_1laq 1
100 ub+0.5 125 81 125 91 parsed_1laq 1
101 ub+1 127 81 127 91 parsed_1laq 1
102 gen 128 81 128 91 parsed_1laq 1
103 nc 129 81 129 91 parsed_1laq 1
104 ub+1 130 81 130 91 parsed_1laq 1
105 lb=2.3 131 81 131 91 parsed_1laq 1
106 ub+0.5 132 81 132 91 parsed_1laq 1
107
;
gen
assign ( resid 15 and name H1' )( resid 14 and name Q5' ) 4.81 0.53 0.54 ! OFF
;
133 81 134 93 parsed_1laq 1
108 ub+0.1 135 81 135 91 parsed_1laq 1
109 ub+0.5 136 81 136 91 parsed_1laq 1
110 ub+1 137 81 137 91 parsed_1laq 1
111 nc 138 81 138 91 parsed_1laq 1
112 nc 139 81 139 91 parsed_1laq 1
113 ub+4.75 140 81 140 91 parsed_1laq 1
114 gen 141 81 141 91 parsed_1laq 1
115 ub+1 142 81 142 91 parsed_1laq 1
116 nc 143 81 143 91 parsed_1laq 1
117
;
ub+0.5
assign ( resid 16 and name H5 )( resid 16 and name H3' ) 2.54 0.30 0.30 ! OFF
;
144 81 145 93 parsed_1laq 1
118 gen 146 81 146 91 parsed_1laq 1
119 ub+0.5 147 81 147 91 parsed_1laq 1
120 ub+0.5 148 81 148 91 parsed_1laq 1
121 lb=2.3 149 81 149 91 parsed_1laq 1
122 nc 150 81 150 91 parsed_1laq 1
123 gen 151 81 151 91 parsed_1laq 1
124 ub+0.5 152 81 152 91 parsed_1laq 1
125 ub+0.5 153 81 153 91 parsed_1laq 1
126 ub+1 154 81 154 91 parsed_1laq 1
127 ub+0.5 155 81 155 91 parsed_1laq 1
128 ub+1 156 81 156 91 parsed_1laq 1
129 ub+1 157 81 157 91 parsed_1laq 1
130 ub+1 158 81 158 91 parsed_1laq 1
131 ub+1 159 81 159 91 parsed_1laq 1
132 ub+1 160 81 160 91 parsed_1laq 1
133 ub=5 161 81 161 91 parsed_1laq 1
134 ub+0.5 162 81 162 91 parsed_1laq 1
135 nc 163 81 163 91 parsed_1laq 1
136 ub+1 164 81 164 91 parsed_1laq 1
137 ub+1 165 81 165 91 parsed_1laq 1
138 ub=5 166 81 166 91 parsed_1laq 1
139 ub+0.5 167 81 167 91 parsed_1laq 1
140 ub+1 168 81 168 91 parsed_1laq 1
141 ub+1 169 81 169 91 parsed_1laq 1
142 nc 170 81 170 91 parsed_1laq 1
143 ub+0.3 171 81 171 91 parsed_1laq 1
144 nc 172 81 172 91 parsed_1laq 1
145 ub+0.6 173 81 173 91 parsed_1laq 1
146 ub+0.5 175 81 175 91 parsed_1laq 1
147 ub+0.5 177 81 177 91 parsed_1laq 1
148 ub+1 178 81 178 91 parsed_1laq 1
149 ub+1 180 81 180 91 parsed_1laq 1
150 ub+4.75 181 81 181 91 parsed_1laq 1
151 ub+0.5 182 81 182 91 parsed_1laq 1
152 gen 183 81 183 91 parsed_1laq 1
153 ub=4.7 184 81 184 91 parsed_1laq 1
154 lb-0.5 186 81 186 91 parsed_1laq 1
155 ub+1 187 81 187 91 parsed_1laq 1
156 ub+0.5 188 81 188 91 parsed_1laq 1
157
;
ub+1.5
assign ( resid 22 and name H5 )( resid 22 and name H2'' ) 3.20 0.92 0.92 ! OFF
assign ( resid 22 and name H5 )( resid 22 and name H3' ) 2.68 0.59 0.60 ! OFF
;
189 81 191 93 parsed_1laq 1
158 ub+0.5 192 81 192 91 parsed_1laq 1
159 ub+1 193 81 193 91 parsed_1laq 1
160 ub+1 194 81 194 91 parsed_1laq 1
161 gen 195 81 195 91 parsed_1laq 1
162 nc 196 81 196 91 parsed_1laq 1
163 nc 197 81 197 91 parsed_1laq 1
164 ub=4.7 198 81 198 91 parsed_1laq 1
165 ub+2 199 81 199 91 parsed_1laq 1
166 ub+0.5 200 81 200 91 parsed_1laq 1
167 gen 201 81 201 91 parsed_1laq 1
168 ub+0.5 202 81 202 91 parsed_1laq 1
169 ub+1 203 81 203 91 parsed_1laq 1
170 gen 204 81 204 91 parsed_1laq 1
171 ub+1 205 81 205 91 parsed_1laq 1
172 ub+0.5 206 81 206 91 parsed_1laq 1
173
;
ub+1.5
assign ( resid 25 and name H5 )( resid 25 and name H2'' ) 3.71 0.62 0.62 ! OFF
assign ( resid 25 and name H5 )( resid 25 and name H3' ) 3.09 0.88 0.88 ! OFF
;
207 81 209 93 parsed_1laq 1
174 ub+1 210 81 210 91 parsed_1laq 1
175 nc 211 81 211 91 parsed_1laq 1
176 ub+0.5 212 81 212 91 parsed_1laq 1
177 nc 213 81 213 91 parsed_1laq 1
178 ub+0.5 214 81 214 91 parsed_1laq 1
179 ub+0.5 215 81 215 91 parsed_1laq 1
180 nc 216 81 216 91 parsed_1laq 1
181 ub+1 217 81 217 91 parsed_1laq 1
182 nc 218 81 218 91 parsed_1laq 1
stop_
save_
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