NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
35283 |
1lai   |
cing | 2-parsed | STAR | entry | full | 797 |
data_1lai_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1lai
_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_1lai 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1lai
_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 1lai "Master copy" parsed_1lai
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1lai
_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 1lai.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . XPLOR/CNS 3 distance NOE ambi 191 parsed_1lai 1
1 1lai.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . XPLOR/CNS 5 distance NOE ambi 153 parsed_1lai 1
1 1lai.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . XPLOR/CNS 7 distance NOE ambi 138 parsed_1lai 1
1 1lai.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . XPLOR/CNS 9 distance NOE ambi 52 parsed_1lai 1
1 1lai.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . XPLOR/CNS 11 distance NOE ambi 18 parsed_1lai 1
1 1lai.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . XPLOR/CNS 13 distance "hydrogen bond" simple 85 parsed_1lai 1
1 1lai.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . XPLOR/CNS 15 "dihedral angle" "Not applicable" "Not applicable" 24 parsed_1lai 1
1 1lai.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . XPLOR/CNS 17 "dihedral angle" "Not applicable" "Not applicable" 26 parsed_1lai 1
1 1lai.mr . . n/a 18 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . XPLOR/CNS 19 "dihedral angle" "Not applicable" "Not applicable" 110 parsed_1lai 1
1 1lai.mr . . n/a 20 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . "MR format" 21 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1lai 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_1lai
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER DNA 28-MAR-02 1LAI
*TITLE SOLUTION STRUCTURE OF THE B-DNA DUPLEX CGCGGTGTCCGCG.
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: 5'-D(*CP*GP*CP*GP*GP*TP*GP*TP*CP*CP*GP*CP*G)-3';
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 MOL_ID: 2;
*COMPND 6 MOLECULE: 5'-D(*CP*GP*CP*GP*GP*AP*CP*AP*CP*CP*GP*CP*G)-3';
*COMPND 7 CHAIN: B;
*COMPND 8 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: THIS SYNTHETIC DNA SEQUENCE WAS DERIVED
*SOURCE 4 FROM THE HISD3052 GENE OF SALMONELLA TYPHIMURIUM.;
*SOURCE 5 MOL_ID: 2;
*SOURCE 6 SYNTHETIC: YES;
*SOURCE 7 OTHER_DETAILS: THIS SYNTHETIC DNA SEQUENCE WAS DERIVED
*SOURCE 8 FROM THE HISD3052 GENE OF SALMONELLA TYPHIMURIUM.
*KEYWDS DNA, B-TYPE, NMR
*EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE
*AUTHOR J.P.WEISENSEEL, G.R.REDDY, L.J.MARNETT, M.P.STONE
*REVDAT 1 17-APR-02 1LAI 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1lai
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 2
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! Class 1 Distance Restraints
set message=off echo=off end
;
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lai
_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_1lai 1
2 1 . . . parsed_1lai 1
3 1 . . . parsed_1lai 1
4 1 . . . parsed_1lai 1
5 1 . . . parsed_1lai 1
6 1 . . . parsed_1lai 1
7 1 . . . parsed_1lai 1
8 1 . . . parsed_1lai 1
9 1 . . . parsed_1lai 1
10 1 . . . parsed_1lai 1
11 1 . . . parsed_1lai 1
12 1 . . . parsed_1lai 1
13 1 . . . parsed_1lai 1
14 1 . . . parsed_1lai 1
15 1 . . . parsed_1lai 1
16 1 . . . parsed_1lai 1
17 1 . . . parsed_1lai 1
18 1 . . . parsed_1lai 1
19 1 . . . parsed_1lai 1
20 1 . . . parsed_1lai 1
21 1 . . . parsed_1lai 1
22 1 . . . parsed_1lai 1
23 1 . . . parsed_1lai 1
24 1 . . . parsed_1lai 1
25 1 . . . parsed_1lai 1
26 1 . . . parsed_1lai 1
27 1 . . . parsed_1lai 1
28 1 . . . parsed_1lai 1
29 1 . . . parsed_1lai 1
30 1 . . . parsed_1lai 1
31 1 . . . parsed_1lai 1
32 1 . . . parsed_1lai 1
33 1 . . . parsed_1lai 1
34 1 . . . parsed_1lai 1
35 1 . . . parsed_1lai 1
36 1 . . . parsed_1lai 1
37 1 . . . parsed_1lai 1
38 1 . . . parsed_1lai 1
39 1 . . . parsed_1lai 1
40 1 . . . parsed_1lai 1
41 1 . . . parsed_1lai 1
42 1 . . . parsed_1lai 1
43 1 . . . parsed_1lai 1
44 1 . . . parsed_1lai 1
45 1 . . . parsed_1lai 1
46 1 . . . parsed_1lai 1
47 1 . . . parsed_1lai 1
48 1 . . . parsed_1lai 1
49 1 . . . parsed_1lai 1
50 1 . . . parsed_1lai 1
51 1 . . . parsed_1lai 1
52 1 . . . parsed_1lai 1
53 1 . . . parsed_1lai 1
54 1 . . . parsed_1lai 1
55 1 . . . parsed_1lai 1
56 1 . . . parsed_1lai 1
57 1 . . . parsed_1lai 1
58 1 . . . parsed_1lai 1
59 1 . . . parsed_1lai 1
60 1 . . . parsed_1lai 1
61 1 . . . parsed_1lai 1
62 1 . . . parsed_1lai 1
63 1 . . . parsed_1lai 1
64 1 . . . parsed_1lai 1
65 1 . . . parsed_1lai 1
66 1 . . . parsed_1lai 1
67 1 . . . parsed_1lai 1
68 1 . . . parsed_1lai 1
69 1 . . . parsed_1lai 1
70 1 . . . parsed_1lai 1
71 1 . . . parsed_1lai 1
72 1 . . . parsed_1lai 1
73 1 . . . parsed_1lai 1
74 1 . . . parsed_1lai 1
75 1 . . . parsed_1lai 1
76 1 . . . parsed_1lai 1
77 1 . . . parsed_1lai 1
78 1 . . . parsed_1lai 1
79 1 . . . parsed_1lai 1
80 1 . . . parsed_1lai 1
81 1 . . . parsed_1lai 1
82 1 . . . parsed_1lai 1
83 1 . . . parsed_1lai 1
84 1 . . . parsed_1lai 1
85 1 . . . parsed_1lai 1
86 1 . . . parsed_1lai 1
87 1 . . . parsed_1lai 1
88 1 . . . parsed_1lai 1
89 1 . . . parsed_1lai 1
90 1 . . . parsed_1lai 1
91 1 . . . parsed_1lai 1
92 1 . . . parsed_1lai 1
93 1 . . . parsed_1lai 1
94 1 . . . parsed_1lai 1
95 1 . . . parsed_1lai 1
96 1 . . . parsed_1lai 1
97 1 . . . parsed_1lai 1
98 1 . . . parsed_1lai 1
99 1 . . . parsed_1lai 1
100 1 . . . parsed_1lai 1
101 1 . . . parsed_1lai 1
102 1 . . . parsed_1lai 1
103 1 . . . parsed_1lai 1
104 1 . . . parsed_1lai 1
105 1 . . . parsed_1lai 1
106 1 . . . parsed_1lai 1
107 1 . . . parsed_1lai 1
108 1 . . . parsed_1lai 1
109 1 . . . parsed_1lai 1
110 1 . . . parsed_1lai 1
111 1 . . . parsed_1lai 1
112 1 . . . parsed_1lai 1
113 1 . . . parsed_1lai 1
114 1 . . . parsed_1lai 1
115 1 . . . parsed_1lai 1
116 1 . . . parsed_1lai 1
117 1 . . . parsed_1lai 1
118 1 . . . parsed_1lai 1
119 1 . . . parsed_1lai 1
120 1 . . . parsed_1lai 1
121 1 . . . parsed_1lai 1
122 1 . . . parsed_1lai 1
123 1 . . . parsed_1lai 1
124 1 . . . parsed_1lai 1
125 1 . . . parsed_1lai 1
126 1 . . . parsed_1lai 1
127 1 . . . parsed_1lai 1
128 1 . . . parsed_1lai 1
129 1 . . . parsed_1lai 1
130 1 . . . parsed_1lai 1
131 1 . . . parsed_1lai 1
132 1 . . . parsed_1lai 1
133 1 . . . parsed_1lai 1
134 1 . . . parsed_1lai 1
135 1 . . . parsed_1lai 1
136 1 . . . parsed_1lai 1
137 1 . . . parsed_1lai 1
138 1 . . . parsed_1lai 1
139 1 . . . parsed_1lai 1
140 1 . . . parsed_1lai 1
141 1 . . . parsed_1lai 1
142 1 . . . parsed_1lai 1
143 1 . . . parsed_1lai 1
144 1 . . . parsed_1lai 1
145 1 . . . parsed_1lai 1
146 1 . . . parsed_1lai 1
147 1 . . . parsed_1lai 1
148 1 . . . parsed_1lai 1
149 1 . . . parsed_1lai 1
150 1 . . . parsed_1lai 1
151 1 . . . parsed_1lai 1
152 1 . . . parsed_1lai 1
153 1 . . . parsed_1lai 1
154 1 . . . parsed_1lai 1
155 1 . . . parsed_1lai 1
156 1 . . . parsed_1lai 1
157 1 . . . parsed_1lai 1
158 1 . . . parsed_1lai 1
159 1 . . . parsed_1lai 1
160 1 . . . parsed_1lai 1
161 1 . . . parsed_1lai 1
162 1 . . . parsed_1lai 1
163 1 . . . parsed_1lai 1
164 1 . . . parsed_1lai 1
165 1 . . . parsed_1lai 1
166 1 . . . parsed_1lai 1
167 1 . . . parsed_1lai 1
168 1 . . . parsed_1lai 1
169 1 . . . parsed_1lai 1
170 1 . . . parsed_1lai 1
171 1 . . . parsed_1lai 1
172 1 . . . parsed_1lai 1
173 1 . . . parsed_1lai 1
174 1 . . . parsed_1lai 1
175 1 . . . parsed_1lai 1
176 1 . . . parsed_1lai 1
177 1 . . . parsed_1lai 1
178 1 . . . parsed_1lai 1
179 1 . . . parsed_1lai 1
180 1 . . . parsed_1lai 1
181 1 . . . parsed_1lai 1
182 1 . . . parsed_1lai 1
183 1 . . . parsed_1lai 1
184 1 . . . parsed_1lai 1
185 1 . . . parsed_1lai 1
186 1 . . . parsed_1lai 1
187 1 . . . parsed_1lai 1
188 1 . . . parsed_1lai 1
189 1 . . . parsed_1lai 1
190 1 . . . parsed_1lai 1
191 1 . . . parsed_1lai 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_1lai 1
1 1 2 . . . . . . . . . 1 . H1' parsed_1lai 1
2 1 1 . . . . . . . . . 1 . H6 parsed_1lai 1
2 1 2 . . . . . . . . . 1 . H2' parsed_1lai 1
3 1 1 . . . . . . . . . 1 . H1' parsed_1lai 1
3 1 2 . . . . . . . . . 1 . H3' parsed_1lai 1
4 1 1 . . . . . . . . . 1 . H1' parsed_1lai 1
4 1 2 . . . . . . . . . 2 . H3' parsed_1lai 1
5 1 1 . . . . . . . . . 1 . H2' parsed_1lai 1
5 1 2 . . . . . . . . . 1 . H3' parsed_1lai 1
6 1 1 . . . . . . . . . 1 . H6 parsed_1lai 1
6 1 2 . . . . . . . . . 1 . H4' parsed_1lai 1
7 1 1 . . . . . . . . . 1 . H2' parsed_1lai 1
7 1 2 . . . . . . . . . 1 . H5 parsed_1lai 1
8 1 1 . . . . . . . . . 1 . H5' parsed_1lai 1
8 1 1 . . . . . . . . . 1 . H5'' parsed_1lai 1
8 1 2 . . . . . . . . . 1 . H5 parsed_1lai 1
9 1 1 . . . . . . . . . 1 . H3' parsed_1lai 1
9 1 2 . . . . . . . . . 1 . H6 parsed_1lai 1
10 1 1 . . . . . . . . . 1 . H5' parsed_1lai 1
10 1 1 . . . . . . . . . 1 . H5'' parsed_1lai 1
10 1 2 . . . . . . . . . 1 . H6 parsed_1lai 1
11 1 1 . . . . . . . . . 1 . H5' parsed_1lai 1
11 1 1 . . . . . . . . . 1 . H5'' parsed_1lai 1
11 1 2 . . . . . . . . . 1 . H1' parsed_1lai 1
12 1 1 . . . . . . . . . 1 . H5' parsed_1lai 1
12 1 1 . . . . . . . . . 1 . H5'' parsed_1lai 1
12 1 2 . . . . . . . . . 1 . H2' parsed_1lai 1
13 1 1 . . . . . . . . . 1 . H5' parsed_1lai 1
13 1 1 . . . . . . . . . 1 . H5'' parsed_1lai 1
13 1 2 . . . . . . . . . 1 . H2'' parsed_1lai 1
14 1 1 . . . . . . . . . 1 . H5' parsed_1lai 1
14 1 1 . . . . . . . . . 1 . H5'' parsed_1lai 1
14 1 2 . . . . . . . . . 1 . H3' parsed_1lai 1
15 1 1 . . . . . . . . . 2 . H8 parsed_1lai 1
15 1 2 . . . . . . . . . 2 . H1' parsed_1lai 1
16 1 1 . . . . . . . . . 2 . H8 parsed_1lai 1
16 1 2 . . . . . . . . . 2 . H3' parsed_1lai 1
17 1 1 . . . . . . . . . 2 . H1' parsed_1lai 1
17 1 2 . . . . . . . . . 2 . H3' parsed_1lai 1
18 1 1 . . . . . . . . . 2 . H8 parsed_1lai 1
18 1 2 . . . . . . . . . 2 . H4' parsed_1lai 1
19 1 1 . . . . . . . . . 2 . H8 parsed_1lai 1
19 1 2 . . . . . . . . . 3 . H5 parsed_1lai 1
20 1 1 . . . . . . . . . 2 . H8 parsed_1lai 1
20 1 2 . . . . . . . . . 1 . H6 parsed_1lai 1
21 1 1 . . . . . . . . . 3 . H5 parsed_1lai 1
21 1 2 . . . . . . . . . 2 . H1' parsed_1lai 1
22 1 1 . . . . . . . . . 3 . H5 parsed_1lai 1
22 1 2 . . . . . . . . . 2 . H3' parsed_1lai 1
23 1 1 . . . . . . . . . 3 . H1' parsed_1lai 1
23 1 2 . . . . . . . . . 3 . H3' parsed_1lai 1
24 1 1 . . . . . . . . . 3 . H6 parsed_1lai 1
24 1 2 . . . . . . . . . 2 . H8 parsed_1lai 1
25 1 1 . . . . . . . . . 4 . H8 parsed_1lai 1
25 1 2 . . . . . . . . . 3 . H2' parsed_1lai 1
26 1 1 . . . . . . . . . 4 . H8 parsed_1lai 1
26 1 2 . . . . . . . . . 3 . H2'' parsed_1lai 1
27 1 1 . . . . . . . . . 4 . H8 parsed_1lai 1
27 1 2 . . . . . . . . . 4 . H3' parsed_1lai 1
28 1 1 . . . . . . . . . 4 . H8 parsed_1lai 1
28 1 2 . . . . . . . . . 3 . H3' parsed_1lai 1
29 1 1 . . . . . . . . . 4 . H1' parsed_1lai 1
29 1 2 . . . . . . . . . 4 . H3' parsed_1lai 1
30 1 1 . . . . . . . . . 4 . H8 parsed_1lai 1
30 1 2 . . . . . . . . . 4 . H4' parsed_1lai 1
31 1 1 . . . . . . . . . 4 . H1' parsed_1lai 1
31 1 2 . . . . . . . . . 4 . H4' parsed_1lai 1
32 1 1 . . . . . . . . . 4 . H1' parsed_1lai 1
32 1 2 . . . . . . . . . 5 . H4' parsed_1lai 1
33 1 1 . . . . . . . . . 4 . H8 parsed_1lai 1
33 1 2 . . . . . . . . . 4 . H5' parsed_1lai 1
34 1 1 . . . . . . . . . 4 . H8 parsed_1lai 1
34 1 2 . . . . . . . . . 4 . H5'' parsed_1lai 1
35 1 1 . . . . . . . . . 4 . H8 parsed_1lai 1
35 1 2 . . . . . . . . . 3 . H6 parsed_1lai 1
36 1 1 . . . . . . . . . 5 . H8 parsed_1lai 1
36 1 2 . . . . . . . . . 4 . H1' parsed_1lai 1
37 1 1 . . . . . . . . . 5 . H8 parsed_1lai 1
37 1 2 . . . . . . . . . 5 . H3' parsed_1lai 1
38 1 1 . . . . . . . . . 5 . H8 parsed_1lai 1
38 1 2 . . . . . . . . . 4 . H3' parsed_1lai 1
39 1 1 . . . . . . . . . 5 . H8 parsed_1lai 1
39 1 2 . . . . . . . . . 5 . H4' parsed_1lai 1
40 1 1 . . . . . . . . . 5 . H1' parsed_1lai 1
40 1 2 . . . . . . . . . 6 . H4' parsed_1lai 1
41 1 1 . . . . . . . . . 5 . H2' parsed_1lai 1
41 1 2 . . . . . . . . . 5 . H4' parsed_1lai 1
42 1 1 . . . . . . . . . 5 . H5' parsed_1lai 1
42 1 1 . . . . . . . . . 5 . H5'' parsed_1lai 1
42 1 2 . . . . . . . . . 5 . H8 parsed_1lai 1
43 1 1 . . . . . . . . . 6 . H6 parsed_1lai 1
43 1 2 . . . . . . . . . 6 . H1' parsed_1lai 1
44 1 1 . . . . . . . . . 6 . H6 parsed_1lai 1
44 1 2 . . . . . . . . . 5 . H1' parsed_1lai 1
45 1 1 . . . . . . . . . 6 . H6 parsed_1lai 1
45 1 2 . . . . . . . . . 6 . H2' parsed_1lai 1
46 1 1 . . . . . . . . . 6 . H1' parsed_1lai 1
46 1 2 . . . . . . . . . 6 . H2' parsed_1lai 1
47 1 1 . . . . . . . . . 6 . H6 parsed_1lai 1
47 1 2 . . . . . . . . . 5 . H2'' parsed_1lai 1
48 1 1 . . . . . . . . . 6 . H1' parsed_1lai 1
48 1 2 . . . . . . . . . 6 . H2'' parsed_1lai 1
49 1 1 . . . . . . . . . 6 . H1' parsed_1lai 1
49 1 2 . . . . . . . . . 6 . H3' parsed_1lai 1
50 1 1 . . . . . . . . . 6 . H1' parsed_1lai 1
50 1 2 . . . . . . . . . 7 . H4' parsed_1lai 1
51 1 1 . . . . . . . . . 6 . H5# parsed_1lai 1
51 1 2 . . . . . . . . . 6 . H6 parsed_1lai 1
52 1 1 . . . . . . . . . 6 . H6 parsed_1lai 1
52 1 2 . . . . . . . . . 5 . H8 parsed_1lai 1
53 1 1 . . . . . . . . . 6 . H5# parsed_1lai 1
53 1 2 . . . . . . . . . 5 . H8 parsed_1lai 1
54 1 1 . . . . . . . . . 7 . H8 parsed_1lai 1
54 1 2 . . . . . . . . . 7 . H1' parsed_1lai 1
55 1 1 . . . . . . . . . 7 . H8 parsed_1lai 1
55 1 2 . . . . . . . . . 6 . H1' parsed_1lai 1
56 1 1 . . . . . . . . . 7 . H8 parsed_1lai 1
56 1 2 . . . . . . . . . 6 . H2' parsed_1lai 1
57 1 1 . . . . . . . . . 7 . H8 parsed_1lai 1
57 1 2 . . . . . . . . . 7 . H4' parsed_1lai 1
58 1 1 . . . . . . . . . 7 . H8 parsed_1lai 1
58 1 2 . . . . . . . . . 6 . H6 parsed_1lai 1
59 1 1 . . . . . . . . . 8 . H6 parsed_1lai 1
59 1 2 . . . . . . . . . 8 . H1' parsed_1lai 1
60 1 1 . . . . . . . . . 8 . H6 parsed_1lai 1
60 1 2 . . . . . . . . . 7 . H1' parsed_1lai 1
61 1 1 . . . . . . . . . 8 . H6 parsed_1lai 1
61 1 2 . . . . . . . . . 8 . H2' parsed_1lai 1
62 1 1 . . . . . . . . . 8 . H1' parsed_1lai 1
62 1 2 . . . . . . . . . 8 . H2' parsed_1lai 1
63 1 1 . . . . . . . . . 8 . H1' parsed_1lai 1
63 1 2 . . . . . . . . . 8 . H2'' parsed_1lai 1
64 1 1 . . . . . . . . . 8 . H1' parsed_1lai 1
64 1 2 . . . . . . . . . 8 . H3' parsed_1lai 1
65 1 1 . . . . . . . . . 8 . H6 parsed_1lai 1
65 1 2 . . . . . . . . . 8 . H4' parsed_1lai 1
66 1 1 . . . . . . . . . 8 . H1' parsed_1lai 1
66 1 2 . . . . . . . . . 8 . H4' parsed_1lai 1
67 1 1 . . . . . . . . . 8 . H1' parsed_1lai 1
67 1 2 . . . . . . . . . 9 . H4' parsed_1lai 1
68 1 1 . . . . . . . . . 8 . H6 parsed_1lai 1
68 1 2 . . . . . . . . . 9 . H5 parsed_1lai 1
69 1 1 . . . . . . . . . 8 . H5# parsed_1lai 1
69 1 2 . . . . . . . . . 8 . H6 parsed_1lai 1
70 1 1 . . . . . . . . . 8 . H5# parsed_1lai 1
70 1 2 . . . . . . . . . 7 . H8 parsed_1lai 1
71 1 1 . . . . . . . . . 9 . H6 parsed_1lai 1
71 1 2 . . . . . . . . . 9 . H1' parsed_1lai 1
72 1 1 . . . . . . . . . 9 . H6 parsed_1lai 1
72 1 2 . . . . . . . . . 8 . H1' parsed_1lai 1
73 1 1 . . . . . . . . . 9 . H5 parsed_1lai 1
73 1 2 . . . . . . . . . 8 . H1' parsed_1lai 1
74 1 1 . . . . . . . . . 9 . H1' parsed_1lai 1
74 1 2 . . . . . . . . . 9 . H2' parsed_1lai 1
75 1 1 . . . . . . . . . 9 . H1' parsed_1lai 1
75 1 2 . . . . . . . . . 10 . H4' parsed_1lai 1
76 1 1 . . . . . . . . . 9 . H6 parsed_1lai 1
76 1 2 . . . . . . . . . 8 . H6 parsed_1lai 1
77 1 1 . . . . . . . . . 10 . H6 parsed_1lai 1
77 1 2 . . . . . . . . . 10 . H1' parsed_1lai 1
78 1 1 . . . . . . . . . 10 . H6 parsed_1lai 1
78 1 2 . . . . . . . . . 9 . H1' parsed_1lai 1
79 1 1 . . . . . . . . . 10 . H5 parsed_1lai 1
79 1 2 . . . . . . . . . 9 . H1' parsed_1lai 1
80 1 1 . . . . . . . . . 11 . H1' parsed_1lai 1
80 1 2 . . . . . . . . . 11 . H3' parsed_1lai 1
81 1 1 . . . . . . . . . 11 . H8 parsed_1lai 1
81 1 2 . . . . . . . . . 10 . H6 parsed_1lai 1
82 1 1 . . . . . . . . . 12 . H5 parsed_1lai 1
82 1 2 . . . . . . . . . 11 . H1' parsed_1lai 1
83 1 1 . . . . . . . . . 12 . H5 parsed_1lai 1
83 1 2 . . . . . . . . . 11 . H3' parsed_1lai 1
84 1 1 . . . . . . . . . 13 . H8 parsed_1lai 1
84 1 2 . . . . . . . . . 13 . H1' parsed_1lai 1
85 1 1 . . . . . . . . . 13 . H1' parsed_1lai 1
85 1 2 . . . . . . . . . 13 . H2'' parsed_1lai 1
86 1 1 . . . . . . . . . 13 . H1' parsed_1lai 1
86 1 2 . . . . . . . . . 13 . H3' parsed_1lai 1
87 1 1 . . . . . . . . . 13 . H2' parsed_1lai 1
87 1 2 . . . . . . . . . 13 . H3' parsed_1lai 1
88 1 1 . . . . . . . . . 13 . H8 parsed_1lai 1
88 1 2 . . . . . . . . . 12 . H6 parsed_1lai 1
89 1 1 . . . . . . . . . 14 . H6 parsed_1lai 1
89 1 2 . . . . . . . . . 14 . H1' parsed_1lai 1
90 1 1 . . . . . . . . . 14 . H6 parsed_1lai 1
90 1 2 . . . . . . . . . 14 . H2' parsed_1lai 1
91 1 1 . . . . . . . . . 14 . H6 parsed_1lai 1
91 1 2 . . . . . . . . . 14 . H3' parsed_1lai 1
92 1 1 . . . . . . . . . 14 . H1' parsed_1lai 1
92 1 2 . . . . . . . . . 14 . H3' parsed_1lai 1
93 1 1 . . . . . . . . . 14 . H1' parsed_1lai 1
93 1 2 . . . . . . . . . 15 . H3' parsed_1lai 1
94 1 1 . . . . . . . . . 14 . H2' parsed_1lai 1
94 1 2 . . . . . . . . . 14 . H3' parsed_1lai 1
95 1 1 . . . . . . . . . 14 . H6 parsed_1lai 1
95 1 2 . . . . . . . . . 14 . H4' parsed_1lai 1
96 1 1 . . . . . . . . . 14 . H2' parsed_1lai 1
96 1 2 . . . . . . . . . 14 . H5 parsed_1lai 1
97 1 1 . . . . . . . . . 14 . H5' parsed_1lai 1
97 1 1 . . . . . . . . . 14 . H5'' parsed_1lai 1
97 1 2 . . . . . . . . . 14 . H5 parsed_1lai 1
98 1 1 . . . . . . . . . 14 . H5' parsed_1lai 1
98 1 1 . . . . . . . . . 14 . H5'' parsed_1lai 1
98 1 2 . . . . . . . . . 14 . H6 parsed_1lai 1
99 1 1 . . . . . . . . . 14 . H5' parsed_1lai 1
99 1 1 . . . . . . . . . 14 . H5'' parsed_1lai 1
99 1 2 . . . . . . . . . 14 . H1' parsed_1lai 1
100 1 1 . . . . . . . . . 14 . H5' parsed_1lai 1
100 1 1 . . . . . . . . . 14 . H5'' parsed_1lai 1
100 1 2 . . . . . . . . . 14 . H2' parsed_1lai 1
101 1 1 . . . . . . . . . 14 . H5' parsed_1lai 1
101 1 1 . . . . . . . . . 14 . H5'' parsed_1lai 1
101 1 2 . . . . . . . . . 14 . H2'' parsed_1lai 1
102 1 1 . . . . . . . . . 14 . H5' parsed_1lai 1
102 1 1 . . . . . . . . . 14 . H5'' parsed_1lai 1
102 1 2 . . . . . . . . . 14 . H3' parsed_1lai 1
103 1 1 . . . . . . . . . 15 . H8 parsed_1lai 1
103 1 2 . . . . . . . . . 15 . H1' parsed_1lai 1
104 1 1 . . . . . . . . . 15 . H8 parsed_1lai 1
104 1 2 . . . . . . . . . 15 . H3' parsed_1lai 1
105 1 1 . . . . . . . . . 15 . H1' parsed_1lai 1
105 1 2 . . . . . . . . . 15 . H3' parsed_1lai 1
106 1 1 . . . . . . . . . 15 . H8 parsed_1lai 1
106 1 2 . . . . . . . . . 15 . H4' parsed_1lai 1
107 1 1 . . . . . . . . . 15 . H8 parsed_1lai 1
107 1 2 . . . . . . . . . 16 . H5 parsed_1lai 1
108 1 1 . . . . . . . . . 15 . H8 parsed_1lai 1
108 1 2 . . . . . . . . . 15 . H5'' parsed_1lai 1
109 1 1 . . . . . . . . . 15 . H8 parsed_1lai 1
109 1 2 . . . . . . . . . 14 . H6 parsed_1lai 1
110 1 1 . . . . . . . . . 16 . H5 parsed_1lai 1
110 1 2 . . . . . . . . . 15 . H1' parsed_1lai 1
111 1 1 . . . . . . . . . 16 . H5 parsed_1lai 1
111 1 2 . . . . . . . . . 15 . H3' parsed_1lai 1
112 1 1 . . . . . . . . . 16 . H1' parsed_1lai 1
112 1 2 . . . . . . . . . 17 . H4' parsed_1lai 1
113 1 1 . . . . . . . . . 16 . H6 parsed_1lai 1
113 1 2 . . . . . . . . . 15 . H8 parsed_1lai 1
114 1 1 . . . . . . . . . 17 . H8 parsed_1lai 1
114 1 2 . . . . . . . . . 17 . H1' parsed_1lai 1
115 1 1 . . . . . . . . . 17 . H8 parsed_1lai 1
115 1 2 . . . . . . . . . 16 . H1' parsed_1lai 1
116 1 1 . . . . . . . . . 17 . H8 parsed_1lai 1
116 1 2 . . . . . . . . . 16 . H2' parsed_1lai 1
117 1 1 . . . . . . . . . 17 . H8 parsed_1lai 1
117 1 2 . . . . . . . . . 16 . H2'' parsed_1lai 1
118 1 1 . . . . . . . . . 17 . H8 parsed_1lai 1
118 1 2 . . . . . . . . . 17 . H4' parsed_1lai 1
119 1 1 . . . . . . . . . 17 . H1' parsed_1lai 1
119 1 2 . . . . . . . . . 17 . H4' parsed_1lai 1
120 1 1 . . . . . . . . . 17 . H1' parsed_1lai 1
120 1 2 . . . . . . . . . 18 . H4' parsed_1lai 1
121 1 1 . . . . . . . . . 17 . H8 parsed_1lai 1
121 1 2 . . . . . . . . . 17 . H5'' parsed_1lai 1
122 1 1 . . . . . . . . . 18 . H8 parsed_1lai 1
122 1 2 . . . . . . . . . 17 . H2' parsed_1lai 1
123 1 1 . . . . . . . . . 18 . H8 parsed_1lai 1
123 1 2 . . . . . . . . . 17 . H2'' parsed_1lai 1
124 1 1 . . . . . . . . . 18 . H8 parsed_1lai 1
124 1 2 . . . . . . . . . 17 . H3' parsed_1lai 1
125 1 1 . . . . . . . . . 18 . H8 parsed_1lai 1
125 1 2 . . . . . . . . . 18 . H4' parsed_1lai 1
126 1 1 . . . . . . . . . 18 . H1' parsed_1lai 1
126 1 2 . . . . . . . . . 19 . H4' parsed_1lai 1
127 1 1 . . . . . . . . . 19 . H8 parsed_1lai 1
127 1 2 . . . . . . . . . 19 . H1' parsed_1lai 1
128 1 1 . . . . . . . . . 19 . H8 parsed_1lai 1
128 1 2 . . . . . . . . . 18 . H1' parsed_1lai 1
129 1 1 . . . . . . . . . 19 . H2 parsed_1lai 1
129 1 2 . . . . . . . . . 9 . H1' parsed_1lai 1
130 1 1 . . . . . . . . . 19 . H2 parsed_1lai 1
130 1 2 . . . . . . . . . 19 . H1' parsed_1lai 1
131 1 1 . . . . . . . . . 19 . H2 parsed_1lai 1
131 1 2 . . . . . . . . . 20 . H1' parsed_1lai 1
132 1 1 . . . . . . . . . 19 . H8 parsed_1lai 1
132 1 2 . . . . . . . . . 19 . H2'' parsed_1lai 1
133 1 1 . . . . . . . . . 19 . H1' parsed_1lai 1
133 1 2 . . . . . . . . . 19 . H2'' parsed_1lai 1
134 1 1 . . . . . . . . . 19 . H8 parsed_1lai 1
134 1 2 . . . . . . . . . 19 . H3' parsed_1lai 1
135 1 1 . . . . . . . . . 19 . H1' parsed_1lai 1
135 1 2 . . . . . . . . . 19 . H3' parsed_1lai 1
136 1 1 . . . . . . . . . 19 . H8 parsed_1lai 1
136 1 2 . . . . . . . . . 19 . H4' parsed_1lai 1
137 1 1 . . . . . . . . . 19 . H1' parsed_1lai 1
137 1 2 . . . . . . . . . 20 . H4' parsed_1lai 1
138 1 1 . . . . . . . . . 19 . H2' parsed_1lai 1
138 1 2 . . . . . . . . . 19 . H4' parsed_1lai 1
139 1 1 . . . . . . . . . 19 . H2'' parsed_1lai 1
139 1 2 . . . . . . . . . 19 . H4' parsed_1lai 1
140 1 1 . . . . . . . . . 19 . H8 parsed_1lai 1
140 1 2 . . . . . . . . . 20 . H5 parsed_1lai 1
141 1 1 . . . . . . . . . 19 . H8 parsed_1lai 1
141 1 2 . . . . . . . . . 18 . H8 parsed_1lai 1
142 1 1 . . . . . . . . . 20 . H6 parsed_1lai 1
142 1 2 . . . . . . . . . 20 . H1' parsed_1lai 1
143 1 1 . . . . . . . . . 20 . H6 parsed_1lai 1
143 1 2 . . . . . . . . . 19 . H1' parsed_1lai 1
144 1 1 . . . . . . . . . 20 . H1' parsed_1lai 1
144 1 2 . . . . . . . . . 19 . H1' parsed_1lai 1
145 1 1 . . . . . . . . . 20 . H6 parsed_1lai 1
145 1 2 . . . . . . . . . 20 . H2' parsed_1lai 1
146 1 1 . . . . . . . . . 20 . H6 parsed_1lai 1
146 1 2 . . . . . . . . . 19 . H2' parsed_1lai 1
147 1 1 . . . . . . . . . 20 . H6 parsed_1lai 1
147 1 2 . . . . . . . . . 20 . H2'' parsed_1lai 1
148 1 1 . . . . . . . . . 20 . H6 parsed_1lai 1
148 1 2 . . . . . . . . . 19 . H2'' parsed_1lai 1
149 1 1 . . . . . . . . . 20 . H1' parsed_1lai 1
149 1 2 . . . . . . . . . 20 . H4' parsed_1lai 1
150 1 1 . . . . . . . . . 20 . H1' parsed_1lai 1
150 1 2 . . . . . . . . . 21 . H4' parsed_1lai 1
151 1 1 . . . . . . . . . 20 . H2' parsed_1lai 1
151 1 2 . . . . . . . . . 20 . H5 parsed_1lai 1
152 1 1 . . . . . . . . . 20 . H2'' parsed_1lai 1
152 1 2 . . . . . . . . . 20 . H5 parsed_1lai 1
153 1 1 . . . . . . . . . 20 . H6 parsed_1lai 1
153 1 2 . . . . . . . . . 19 . H8 parsed_1lai 1
154 1 1 . . . . . . . . . 21 . H8 parsed_1lai 1
154 1 2 . . . . . . . . . 21 . H1' parsed_1lai 1
155 1 1 . . . . . . . . . 21 . H8 parsed_1lai 1
155 1 2 . . . . . . . . . 20 . H1' parsed_1lai 1
156 1 1 . . . . . . . . . 21 . H2 parsed_1lai 1
156 1 2 . . . . . . . . . 21 . H1' parsed_1lai 1
157 1 1 . . . . . . . . . 21 . H2 parsed_1lai 1
157 1 2 . . . . . . . . . 22 . H1' parsed_1lai 1
158 1 1 . . . . . . . . . 21 . H1' parsed_1lai 1
158 1 2 . . . . . . . . . 20 . H1' parsed_1lai 1
159 1 1 . . . . . . . . . 21 . H8 parsed_1lai 1
159 1 2 . . . . . . . . . 21 . H2' parsed_1lai 1
160 1 1 . . . . . . . . . 21 . H8 parsed_1lai 1
160 1 2 . . . . . . . . . 20 . H2' parsed_1lai 1
161 1 1 . . . . . . . . . 21 . H8 parsed_1lai 1
161 1 2 . . . . . . . . . 21 . H2'' parsed_1lai 1
162 1 1 . . . . . . . . . 21 . H8 parsed_1lai 1
162 1 2 . . . . . . . . . 20 . H2'' parsed_1lai 1
163 1 1 . . . . . . . . . 21 . H1' parsed_1lai 1
163 1 2 . . . . . . . . . 21 . H2'' parsed_1lai 1
164 1 1 . . . . . . . . . 21 . H8 parsed_1lai 1
164 1 2 . . . . . . . . . 21 . H3' parsed_1lai 1
165 1 1 . . . . . . . . . 21 . H8 parsed_1lai 1
165 1 2 . . . . . . . . . 20 . H3' parsed_1lai 1
166 1 1 . . . . . . . . . 21 . H1' parsed_1lai 1
166 1 2 . . . . . . . . . 21 . H3' parsed_1lai 1
167 1 1 . . . . . . . . . 21 . H1' parsed_1lai 1
167 1 2 . . . . . . . . . 22 . H3' parsed_1lai 1
168 1 1 . . . . . . . . . 21 . H8 parsed_1lai 1
168 1 2 . . . . . . . . . 21 . H4' parsed_1lai 1
169 1 1 . . . . . . . . . 21 . H1' parsed_1lai 1
169 1 2 . . . . . . . . . 22 . H4' parsed_1lai 1
170 1 1 . . . . . . . . . 21 . H2'' parsed_1lai 1
170 1 2 . . . . . . . . . 21 . H4' parsed_1lai 1
171 1 1 . . . . . . . . . 21 . H8 parsed_1lai 1
171 1 2 . . . . . . . . . 22 . H5 parsed_1lai 1
172 1 1 . . . . . . . . . 21 . H8 parsed_1lai 1
172 1 2 . . . . . . . . . 20 . H6 parsed_1lai 1
173 1 1 . . . . . . . . . 22 . H6 parsed_1lai 1
173 1 2 . . . . . . . . . 22 . H1' parsed_1lai 1
174 1 1 . . . . . . . . . 22 . H6 parsed_1lai 1
174 1 2 . . . . . . . . . 21 . H1' parsed_1lai 1
175 1 1 . . . . . . . . . 22 . H1' parsed_1lai 1
175 1 2 . . . . . . . . . 22 . H3' parsed_1lai 1
176 1 1 . . . . . . . . . 22 . H1' parsed_1lai 1
176 1 2 . . . . . . . . . 23 . H4' parsed_1lai 1
177 1 1 . . . . . . . . . 22 . H6 parsed_1lai 1
177 1 2 . . . . . . . . . 23 . H5 parsed_1lai 1
178 1 1 . . . . . . . . . 22 . H2' parsed_1lai 1
178 1 2 . . . . . . . . . 22 . H5 parsed_1lai 1
179 1 1 . . . . . . . . . 22 . H2'' parsed_1lai 1
179 1 2 . . . . . . . . . 22 . H5 parsed_1lai 1
180 1 1 . . . . . . . . . 22 . H6 parsed_1lai 1
180 1 2 . . . . . . . . . 21 . H8 parsed_1lai 1
181 1 1 . . . . . . . . . 23 . H6 parsed_1lai 1
181 1 2 . . . . . . . . . 22 . H1' parsed_1lai 1
182 1 1 . . . . . . . . . 23 . H5 parsed_1lai 1
182 1 2 . . . . . . . . . 22 . H1' parsed_1lai 1
183 1 1 . . . . . . . . . 24 . H1' parsed_1lai 1
183 1 2 . . . . . . . . . 24 . H3' parsed_1lai 1
184 1 1 . . . . . . . . . 24 . H8 parsed_1lai 1
184 1 2 . . . . . . . . . 23 . H6 parsed_1lai 1
185 1 1 . . . . . . . . . 25 . H5 parsed_1lai 1
185 1 2 . . . . . . . . . 24 . H1' parsed_1lai 1
186 1 1 . . . . . . . . . 25 . H5 parsed_1lai 1
186 1 2 . . . . . . . . . 24 . H3' parsed_1lai 1
187 1 1 . . . . . . . . . 26 . H8 parsed_1lai 1
187 1 2 . . . . . . . . . 26 . H1' parsed_1lai 1
188 1 1 . . . . . . . . . 26 . H1' parsed_1lai 1
188 1 2 . . . . . . . . . 26 . H2'' parsed_1lai 1
189 1 1 . . . . . . . . . 26 . H1' parsed_1lai 1
189 1 2 . . . . . . . . . 26 . H3' parsed_1lai 1
190 1 1 . . . . . . . . . 26 . H2' parsed_1lai 1
190 1 2 . . . . . . . . . 26 . H3' parsed_1lai 1
191 1 1 . . . . . . . . . 26 . H8 parsed_1lai 1
191 1 2 . . . . . . . . . 25 . H6 parsed_1lai 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 . . . . . 3.76 2.69 4.83 parsed_1lai 1
2 1 . . . . . 2.56 2.23 2.89 parsed_1lai 1
3 1 . . . . . 2.96 2.04 3.88 parsed_1lai 1
4 1 . . . . . 4.85 3.70 6.00 parsed_1lai 1
5 1 . . . . . 2.58 2.25 2.91 parsed_1lai 1
6 1 . . . . . 3.85 2.86 4.85 parsed_1lai 1
7 1 . . . . . 3.57 2.21 4.93 parsed_1lai 1
8 1 . . . . . 4.76 3.10 6.43 parsed_1lai 1
9 1 . . . . . 3.21 2.17 4.25 parsed_1lai 1
10 1 . . . . . 3.75 2.48 5.01 parsed_1lai 1
11 1 . . . . . 3.83 2.62 5.04 parsed_1lai 1
12 1 . . . . . 3.07 2.21 3.93 parsed_1lai 1
13 1 . . . . . 4.22 3.57 4.87 parsed_1lai 1
14 1 . . . . . 2.90 1.97 3.83 parsed_1lai 1
15 1 . . . . . 2.74 1.75 3.73 parsed_1lai 1
16 1 . . . . . 3.57 2.65 4.49 parsed_1lai 1
17 1 . . . . . 3.34 2.64 4.05 parsed_1lai 1
18 1 . . . . . 4.88 4.03 5.74 parsed_1lai 1
19 1 . . . . . 3.13 2.54 3.72 parsed_1lai 1
20 1 . . . . . 5.00 4.60 5.40 parsed_1lai 1
21 1 . . . . . 2.85 2.00 3.70 parsed_1lai 1
22 1 . . . . . 4.34 3.27 5.41 parsed_1lai 1
23 1 . . . . . 3.34 2.62 4.06 parsed_1lai 1
24 1 . . . . . 5.00 4.60 5.40 parsed_1lai 1
25 1 . . . . . 3.79 3.39 4.19 parsed_1lai 1
26 1 . . . . . 2.90 2.30 3.50 parsed_1lai 1
27 1 . . . . . 3.70 2.78 4.62 parsed_1lai 1
28 1 . . . . . 4.25 3.23 5.28 parsed_1lai 1
29 1 . . . . . 3.38 2.81 3.95 parsed_1lai 1
30 1 . . . . . 5.15 4.50 5.81 parsed_1lai 1
31 1 . . . . . 3.06 2.23 3.89 parsed_1lai 1
32 1 . . . . . 4.29 3.49 5.09 parsed_1lai 1
33 1 . . . . . 3.79 3.13 4.45 parsed_1lai 1
34 1 . . . . . 4.62 3.88 5.35 parsed_1lai 1
35 1 . . . . . 5.00 4.60 5.40 parsed_1lai 1
36 1 . . . . . 2.96 2.01 3.90 parsed_1lai 1
37 1 . . . . . 3.62 2.33 4.91 parsed_1lai 1
38 1 . . . . . 5.19 4.59 5.78 parsed_1lai 1
39 1 . . . . . 4.38 3.77 5.00 parsed_1lai 1
40 1 . . . . . 4.60 4.00 5.20 parsed_1lai 1
41 1 . . . . . 3.27 2.04 4.50 parsed_1lai 1
42 1 . . . . . 4.03 3.19 4.86 parsed_1lai 1
43 1 . . . . . 3.04 2.11 3.97 parsed_1lai 1
44 1 . . . . . 2.91 2.18 3.64 parsed_1lai 1
45 1 . . . . . 2.42 2.19 2.65 parsed_1lai 1
46 1 . . . . . 3.16 2.45 3.87 parsed_1lai 1
47 1 . . . . . 2.72 2.30 3.15 parsed_1lai 1
48 1 . . . . . 2.25 2.02 2.48 parsed_1lai 1
49 1 . . . . . 2.96 1.87 4.05 parsed_1lai 1
50 1 . . . . . 4.60 4.00 5.20 parsed_1lai 1
51 1 . . . . . 2.49 2.03 2.95 parsed_1lai 1
52 1 . . . . . 5.00 4.60 5.40 parsed_1lai 1
53 1 . . . . . 3.94 3.09 4.79 parsed_1lai 1
54 1 . . . . . 3.02 2.03 4.02 parsed_1lai 1
55 1 . . . . . 3.04 2.08 4.00 parsed_1lai 1
56 1 . . . . . 3.89 3.40 4.38 parsed_1lai 1
57 1 . . . . . 5.34 4.63 6.05 parsed_1lai 1
58 1 . . . . . 5.00 4.60 5.40 parsed_1lai 1
59 1 . . . . . 2.96 1.87 4.05 parsed_1lai 1
60 1 . . . . . 3.00 2.17 3.82 parsed_1lai 1
61 1 . . . . . 2.33 2.12 2.54 parsed_1lai 1
62 1 . . . . . 3.05 2.51 3.60 parsed_1lai 1
63 1 . . . . . 2.24 2.06 2.42 parsed_1lai 1
64 1 . . . . . 3.04 1.97 4.12 parsed_1lai 1
65 1 . . . . . 3.82 2.93 4.70 parsed_1lai 1
66 1 . . . . . 3.44 2.42 4.46 parsed_1lai 1
67 1 . . . . . 4.60 4.00 5.20 parsed_1lai 1
68 1 . . . . . 3.99 3.24 4.74 parsed_1lai 1
69 1 . . . . . 2.50 2.21 2.79 parsed_1lai 1
70 1 . . . . . 3.73 2.94 4.52 parsed_1lai 1
71 1 . . . . . 3.17 2.17 4.17 parsed_1lai 1
72 1 . . . . . 3.43 2.76 4.10 parsed_1lai 1
73 1 . . . . . 3.05 2.20 3.90 parsed_1lai 1
74 1 . . . . . 3.04 2.43 3.65 parsed_1lai 1
75 1 . . . . . 4.60 4.00 5.20 parsed_1lai 1
76 1 . . . . . 5.00 4.60 5.40 parsed_1lai 1
77 1 . . . . . 2.90 1.93 3.88 parsed_1lai 1
78 1 . . . . . 3.64 3.01 4.27 parsed_1lai 1
79 1 . . . . . 3.43 2.62 4.24 parsed_1lai 1
80 1 . . . . . 3.31 2.58 4.04 parsed_1lai 1
81 1 . . . . . 5.00 4.60 5.40 parsed_1lai 1
82 1 . . . . . 3.19 2.29 4.09 parsed_1lai 1
83 1 . . . . . 5.02 4.46 5.58 parsed_1lai 1
84 1 . . . . . 3.73 2.44 5.02 parsed_1lai 1
85 1 . . . . . 2.27 2.02 2.52 parsed_1lai 1
86 1 . . . . . 3.80 2.76 4.84 parsed_1lai 1
87 1 . . . . . 2.41 2.24 2.57 parsed_1lai 1
88 1 . . . . . 5.00 4.60 5.40 parsed_1lai 1
89 1 . . . . . 3.64 2.65 4.63 parsed_1lai 1
90 1 . . . . . 2.65 2.25 3.05 parsed_1lai 1
91 1 . . . . . 3.21 2.09 4.33 parsed_1lai 1
92 1 . . . . . 3.09 2.05 4.13 parsed_1lai 1
93 1 . . . . . 4.89 3.78 6.00 parsed_1lai 1
94 1 . . . . . 2.53 2.30 2.76 parsed_1lai 1
95 1 . . . . . 3.96 2.94 4.97 parsed_1lai 1
96 1 . . . . . 3.60 2.20 5.00 parsed_1lai 1
97 1 . . . . . 5.03 3.49 6.56 parsed_1lai 1
98 1 . . . . . 3.41 2.43 4.39 parsed_1lai 1
99 1 . . . . . 3.85 2.83 4.87 parsed_1lai 1
100 1 . . . . . 3.54 2.67 4.41 parsed_1lai 1
101 1 . . . . . 4.11 3.51 4.70 parsed_1lai 1
102 1 . . . . . 2.96 2.02 3.90 parsed_1lai 1
103 1 . . . . . 2.91 1.80 4.02 parsed_1lai 1
104 1 . . . . . 3.47 2.46 4.48 parsed_1lai 1
105 1 . . . . . 3.41 2.69 4.13 parsed_1lai 1
106 1 . . . . . 4.71 3.91 5.51 parsed_1lai 1
107 1 . . . . . 3.25 2.68 3.82 parsed_1lai 1
108 1 . . . . . 3.63 2.62 4.64 parsed_1lai 1
109 1 . . . . . 5.00 4.60 5.40 parsed_1lai 1
110 1 . . . . . 3.06 2.21 3.91 parsed_1lai 1
111 1 . . . . . 4.33 3.14 5.51 parsed_1lai 1
112 1 . . . . . 4.60 4.00 5.20 parsed_1lai 1
113 1 . . . . . 5.00 4.60 5.40 parsed_1lai 1
114 1 . . . . . 2.96 1.83 4.09 parsed_1lai 1
115 1 . . . . . 3.38 2.63 4.13 parsed_1lai 1
116 1 . . . . . 3.92 3.40 4.45 parsed_1lai 1
117 1 . . . . . 3.19 2.29 4.09 parsed_1lai 1
118 1 . . . . . 4.08 3.08 5.08 parsed_1lai 1
119 1 . . . . . 3.39 2.62 4.16 parsed_1lai 1
120 1 . . . . . 4.60 4.00 5.20 parsed_1lai 1
121 1 . . . . . 4.44 3.10 5.78 parsed_1lai 1
122 1 . . . . . 3.95 3.40 4.50 parsed_1lai 1
123 1 . . . . . 3.15 2.30 4.00 parsed_1lai 1
124 1 . . . . . 4.75 4.10 5.40 parsed_1lai 1
125 1 . . . . . 4.68 3.94 5.42 parsed_1lai 1
126 1 . . . . . 4.18 3.26 5.10 parsed_1lai 1
127 1 . . . . . 3.55 2.56 4.55 parsed_1lai 1
128 1 . . . . . 3.22 2.35 4.09 parsed_1lai 1
129 1 . . . . . 4.63 3.71 5.55 parsed_1lai 1
130 1 . . . . . 5.19 4.63 5.75 parsed_1lai 1
131 1 . . . . . 4.21 3.59 4.83 parsed_1lai 1
132 1 . . . . . 2.96 2.35 3.58 parsed_1lai 1
133 1 . . . . . 2.26 2.09 2.44 parsed_1lai 1
134 1 . . . . . 3.44 2.44 4.44 parsed_1lai 1
135 1 . . . . . 3.06 2.00 4.12 parsed_1lai 1
136 1 . . . . . 4.20 3.49 4.91 parsed_1lai 1
137 1 . . . . . 4.60 4.00 5.20 parsed_1lai 1
138 1 . . . . . 4.30 3.27 5.33 parsed_1lai 1
139 1 . . . . . 3.18 2.06 4.30 parsed_1lai 1
140 1 . . . . . 3.61 3.21 4.01 parsed_1lai 1
141 1 . . . . . 5.00 4.60 5.40 parsed_1lai 1
142 1 . . . . . 3.13 2.15 4.12 parsed_1lai 1
143 1 . . . . . 3.33 2.60 4.05 parsed_1lai 1
144 1 . . . . . 5.08 4.51 5.65 parsed_1lai 1
145 1 . . . . . 2.35 2.12 2.58 parsed_1lai 1
146 1 . . . . . 3.67 3.40 3.94 parsed_1lai 1
147 1 . . . . . 3.41 2.65 4.16 parsed_1lai 1
148 1 . . . . . 2.57 2.30 2.84 parsed_1lai 1
149 1 . . . . . 2.84 2.19 3.50 parsed_1lai 1
150 1 . . . . . 4.60 4.00 5.20 parsed_1lai 1
151 1 . . . . . 3.29 1.99 4.58 parsed_1lai 1
152 1 . . . . . 4.33 2.95 5.71 parsed_1lai 1
153 1 . . . . . 5.00 4.60 5.40 parsed_1lai 1
154 1 . . . . . 3.50 2.54 4.46 parsed_1lai 1
155 1 . . . . . 3.06 2.46 3.66 parsed_1lai 1
156 1 . . . . . 5.15 4.54 5.77 parsed_1lai 1
157 1 . . . . . 4.08 3.41 4.75 parsed_1lai 1
158 1 . . . . . 4.84 4.17 5.51 parsed_1lai 1
159 1 . . . . . 2.16 1.98 2.33 parsed_1lai 1
160 1 . . . . . 3.85 3.40 4.30 parsed_1lai 1
161 1 . . . . . 2.99 2.32 3.66 parsed_1lai 1
162 1 . . . . . 2.84 2.30 3.38 parsed_1lai 1
163 1 . . . . . 2.17 1.99 2.35 parsed_1lai 1
164 1 . . . . . 3.50 2.42 4.58 parsed_1lai 1
165 1 . . . . . 4.09 3.14 5.05 parsed_1lai 1
166 1 . . . . . 3.18 2.32 4.05 parsed_1lai 1
167 1 . . . . . 5.10 4.20 6.00 parsed_1lai 1
168 1 . . . . . 4.11 3.23 4.99 parsed_1lai 1
169 1 . . . . . 4.60 4.00 5.20 parsed_1lai 1
170 1 . . . . . 3.89 2.79 4.99 parsed_1lai 1
171 1 . . . . . 3.53 3.05 4.01 parsed_1lai 1
172 1 . . . . . 5.00 4.60 5.40 parsed_1lai 1
173 1 . . . . . 3.12 2.19 4.04 parsed_1lai 1
174 1 . . . . . 3.32 2.68 3.95 parsed_1lai 1
175 1 . . . . . 3.17 2.02 4.31 parsed_1lai 1
176 1 . . . . . 4.60 4.00 5.20 parsed_1lai 1
177 1 . . . . . 3.24 2.58 3.89 parsed_1lai 1
178 1 . . . . . 3.35 2.01 4.69 parsed_1lai 1
179 1 . . . . . 4.24 2.77 5.70 parsed_1lai 1
180 1 . . . . . 5.00 4.60 5.40 parsed_1lai 1
181 1 . . . . . 3.01 2.38 3.64 parsed_1lai 1
182 1 . . . . . 3.59 2.64 4.54 parsed_1lai 1
183 1 . . . . . 3.27 2.50 4.04 parsed_1lai 1
184 1 . . . . . 5.00 4.60 5.40 parsed_1lai 1
185 1 . . . . . 3.29 2.41 4.17 parsed_1lai 1
186 1 . . . . . 5.01 4.37 5.65 parsed_1lai 1
187 1 . . . . . 3.90 2.61 5.19 parsed_1lai 1
188 1 . . . . . 2.21 1.98 2.44 parsed_1lai 1
189 1 . . . . . 3.90 2.84 4.96 parsed_1lai 1
190 1 . . . . . 2.39 2.23 2.55 parsed_1lai 1
191 1 . . . . . 5.00 4.60 5.40 parsed_1lai 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 ub+0.7 1 81 1 91 parsed_1lai 1
2 nc 2 81 2 91 parsed_1lai 1
3 ub+0.5 3 81 3 91 parsed_1lai 1
4 ub=6 4 81 4 91 parsed_1lai 1
5 nc 5 81 5 91 parsed_1lai 1
6 ub+0.5 6 81 6 91 parsed_1lai 1
7
;
ub+1.5
assign ( resid 1 and name H3' )( resid 1 and name H5 ) 4.63 0.71 0.71 ! OFF
;
7 81 8 93 parsed_1lai 1
8 ub+1.0 10 81 10 91 parsed_1lai 1
9 ub+1.2 11 81 11 91 parsed_1lai 1
10 ub+1.0 13 81 13 91 parsed_1lai 1
11 ub+0.5 15 81 15 91 parsed_1lai 1
12 ub+0.5 17 81 17 91 parsed_1lai 1
13 nc 19 81 19 91 parsed_1lai 1
14 ub+1.0 21 81 21 91 parsed_1lai 1
15 ub+0.7 22 81 22 91 parsed_1lai 1
16 ub+1.0 23 81 23 91 parsed_1lai 1
17 ub+0.5 24 81 24 91 parsed_1lai 1
18 nc 25 81 25 91 parsed_1lai 1
19 nc 26 81 26 91 parsed_1lai 1
20
;
gen
assign ( resid 2 and name H8 )( resid 1 and name Q5' ) 4.54 0.98 0.97 ! OFF
;
27 81 28 93 parsed_1lai 1
21 nc 29 81 29 91 parsed_1lai 1
22 nc 30 81 30 91 parsed_1lai 1
23
;
ub+1.0
assign ( resid 3 and name H6 )( resid 2 and name H4' ) 3.84 1.01 1.01 ! OFF
;
31 81 32 93 parsed_1lai 1
24 gen 33 81 33 91 parsed_1lai 1
25 ub+1.0 34 81 34 91 parsed_1lai 1
26 lb=2.5 35 81 35 91 parsed_1lai 1
27 ub+1.0 36 81 36 91 parsed_1lai 1
28 nc 37 81 37 91 parsed_1lai 1
29 ub+0.5 38 81 38 91 parsed_1lai 1
30
;
nc
assign ( resid 4 and name H8 )( resid 3 and name H4' ) 4.57 0.42 0.42 ! OFF
;
39 81 40 93 parsed_1lai 1
31 ub+1.0 41 81 41 91 parsed_1lai 1
32 ub=5.1 42 81 42 91 parsed_1lai 1
33 nc 43 81 43 91 parsed_1lai 1
34 nc 44 81 44 91 parsed_1lai 1
35 gen 45 81 45 91 parsed_1lai 1
36 ub+1.0 46 81 46 91 parsed_1lai 1
37 ub+1.0 47 81 47 91 parsed_1lai 1
38 nc 48 81 48 91 parsed_1lai 1
39
;
nc
assign ( resid 5 and name H8 )( resid 4 and name H4' ) 3.78 0.85 0.85 ! OFF
;
49 81 50 93 parsed_1lai 1
40 gen 51 81 51 91 parsed_1lai 1
41 ub+1.0 52 81 52 91 parsed_1lai 1
42 nc 54 81 54 91 parsed_1lai 1
43 ub+0.7 55 81 55 91 parsed_1lai 1
44 ub+0.5 56 81 56 91 parsed_1lai 1
45 nc 57 81 57 91 parsed_1lai 1
46 nc 58 81 58 91 parsed_1lai 1
47
;
lb=2.5
assign ( resid 6 and name H5# )( resid 6 and name H2'' ) 3.14 0.56 0.56 ! OFF
;
59 81 60 93 parsed_1lai 1
48 nc 61 81 61 91 parsed_1lai 1
49
;
ub+0.5
assign ( resid 6 and name H6 )( resid 5 and name H4' ) 3.87 1.27 1.27 ! OFF
;
62 81 63 93 parsed_1lai 1
50 gen 64 81 64 91 parsed_1lai 1
51 ub+0.3 65 81 65 91 parsed_1lai 1
52 gen 66 81 66 91 parsed_1lai 1
53 ub+0.5 67 81 67 91 parsed_1lai 1
54 ub+0.7 68 81 68 91 parsed_1lai 1
55 ub 69 81 69 91 parsed_1lai 1
56 nc 70 81 70 91 parsed_1lai 1
57 nc 71 81 71 91 parsed_1lai 1
58 gen 72 81 72 91 parsed_1lai 1
59 ub+0.7 73 81 73 91 parsed_1lai 1
60 ub+0.5 74 81 74 91 parsed_1lai 1
61 nc 75 81 75 91 parsed_1lai 1
62
;
nc
assign ( resid 8 and name H5# )( resid 8 and name H2'' ) 3.72 0.56 0.56 ! OFF
;
76 81 77 93 parsed_1lai 1
63 nc 78 81 78 91 parsed_1lai 1
64 ub+0.5 79 81 79 91 parsed_1lai 1
65
;
ub+1.0
assign ( resid 8 and name H6 )( resid 7 and name H4' ) 4.03 0.99 0.99 ! OFF
;
80 81 81 93 parsed_1lai 1
66 ub+1.0 82 81 82 91 parsed_1lai 1
67 gen 83 81 83 91 parsed_1lai 1
68 nc 84 81 84 91 parsed_1lai 1
69 nc 85 81 85 91 parsed_1lai 1
70 ub+1.0 86 81 86 91 parsed_1lai 1
71 ub+0.7 87 81 87 91 parsed_1lai 1
72 nc 88 81 88 91 parsed_1lai 1
73 nc 89 81 89 91 parsed_1lai 1
74 nc 90 81 90 91 parsed_1lai 1
75 gen 91 81 91 91 parsed_1lai 1
76
;
gen
assign ( resid 9 and name H5 )( resid 8 and name H5# ) 4.12 0.86 0.86 ! OFF
;
92 81 93 93 parsed_1lai 1
77 ub+0.7 94 81 94 91 parsed_1lai 1
78 nc 95 81 95 91 parsed_1lai 1
79 nc 96 81 96 91 parsed_1lai 1
80 ub+0.5 97 81 97 91 parsed_1lai 1
81 gen 98 81 98 91 parsed_1lai 1
82 nc 99 81 99 91 parsed_1lai 1
83
;
nc
assign ( resid 12 and name H6 )( resid 11 and name H4' ) 4.04 0.94 0.94 ! OFF
;
100 81 101 93 parsed_1lai 1
84 ub+0.7 102 81 102 91 parsed_1lai 1
85 nc 103 81 103 91 parsed_1lai 1
86 ub+0.5 104 81 104 91 parsed_1lai 1
87 nc 105 81 105 91 parsed_1lai 1
88 gen 106 81 106 91 parsed_1lai 1
89 ub+0.7 107 81 107 91 parsed_1lai 1
90 nc 108 81 108 91 parsed_1lai 1
91 ub+1.2 109 81 109 91 parsed_1lai 1
92 ub+0.5 110 81 110 91 parsed_1lai 1
93 ub=6 111 81 111 91 parsed_1lai 1
94 nc 112 81 112 91 parsed_1lai 1
95 ub+0.5 113 81 113 91 parsed_1lai 1
96 ub+1.5 114 81 114 91 parsed_1lai 1
97
;
ub+1.0
assign ( resid 14 and name H1' )( resid 15 and name H5'' ) 3.79 1.39 1.38 ! OFF
;
116 81 117 93 parsed_1lai 1
98 nc 119 81 119 91 parsed_1lai 1
99 nc 121 81 121 91 parsed_1lai 1
100 ub+0.5 123 81 123 91 parsed_1lai 1
101 nc 125 81 125 91 parsed_1lai 1
102 ub+1.0 127 81 127 91 parsed_1lai 1
103 ub+0.7 128 81 128 91 parsed_1lai 1
104 ub+1.0 129 81 129 91 parsed_1lai 1
105 ub+0.5 130 81 130 91 parsed_1lai 1
106 nc 131 81 131 91 parsed_1lai 1
107 nc 132 81 132 91 parsed_1lai 1
108 nc 133 81 133 91 parsed_1lai 1
109
;
gen
assign ( resid 15 and name H8 )( resid 14 and name Q5' ) 4.83 1.00 1.00 ! OFF
;
134 81 135 93 parsed_1lai 1
110 nc 136 81 136 91 parsed_1lai 1
111
;
nc
assign ( resid 16 and name H6 )( resid 15 and name H4' ) 3.91 0.84 0.84 ! OFF
;
137 81 138 93 parsed_1lai 1
112 gen 139 81 139 91 parsed_1lai 1
113 gen 140 81 140 91 parsed_1lai 1
114 ub+0.7 141 81 141 91 parsed_1lai 1
115 nc 142 81 142 91 parsed_1lai 1
116 nc 143 81 143 91 parsed_1lai 1
117 lb=2.5 144 81 144 91 parsed_1lai 1
118 nc 145 81 145 91 parsed_1lai 1
119 ub+1.0 146 81 146 91 parsed_1lai 1
120 gen 147 81 147 91 parsed_1lai 1
121 nc 148 81 148 91 parsed_1lai 1
122 gen 149 81 149 91 parsed_1lai 1
123 gen 150 81 150 91 parsed_1lai 1
124 gen 151 81 151 91 parsed_1lai 1
125 nc 152 81 152 91 parsed_1lai 1
126 ub=5.1 153 81 153 91 parsed_1lai 1
127 ub+0.7 154 81 154 91 parsed_1lai 1
128 ub+1.0 155 81 155 91 parsed_1lai 1
129 ub+1.5 156 81 156 91 parsed_1lai 1
130 nc 157 81 157 91 parsed_1lai 1
131 ub+1.0 158 81 158 91 parsed_1lai 1
132 ub+0.5 159 81 159 91 parsed_1lai 1
133 nc 160 81 160 91 parsed_1lai 1
134 ub+1.2 161 81 161 91 parsed_1lai 1
135 ub+0.5 162 81 162 91 parsed_1lai 1
136 nc 163 81 163 91 parsed_1lai 1
137 gen 164 81 164 91 parsed_1lai 1
138 ub+1.0 165 81 165 91 parsed_1lai 1
139 ub+1.0 166 81 166 91 parsed_1lai 1
140 nc 167 81 167 91 parsed_1lai 1
141 gen 168 81 168 91 parsed_1lai 1
142 ub+0.7 169 81 169 91 parsed_1lai 1
143 ub 170 81 170 91 parsed_1lai 1
144 nc 171 81 171 91 parsed_1lai 1
145 nc 172 81 172 91 parsed_1lai 1
146 ub+0.5 173 81 173 91 parsed_1lai 1
147 ub+0.5 174 81 174 91 parsed_1lai 1
148 lb=2.5 175 81 175 91 parsed_1lai 1
149 ub+1.0 176 81 176 91 parsed_1lai 1
150 gen 177 81 177 91 parsed_1lai 1
151 ub+1.5 178 81 178 91 parsed_1lai 1
152 ub=5.7 179 81 179 91 parsed_1lai 1
153 gen 180 81 180 91 parsed_1lai 1
154 ub+0.7 181 81 181 91 parsed_1lai 1
155 nc 182 81 182 91 parsed_1lai 1
156 nc 183 81 183 91 parsed_1lai 1
157 ub+1.0 184 81 184 91 parsed_1lai 1
158 nc 185 81 185 91 parsed_1lai 1
159 nc 186 81 186 91 parsed_1lai 1
160 nc 187 81 187 91 parsed_1lai 1
161 ub+0.7 188 81 188 91 parsed_1lai 1
162 lb=2.5 189 81 189 91 parsed_1lai 1
163 nc 190 81 190 91 parsed_1lai 1
164 ub+1.0 191 81 191 91 parsed_1lai 1
165 ub+0.4 192 81 192 91 parsed_1lai 1
166 ub+0.5 193 81 193 91 parsed_1lai 1
167 ub=6 194 81 194 91 parsed_1lai 1
168 ub+0.3 195 81 195 91 parsed_1lai 1
169 gen 196 81 196 91 parsed_1lai 1
170 ub+1.0 197 81 197 91 parsed_1lai 1
171 nc 198 81 198 91 parsed_1lai 1
172 gen 199 81 199 91 parsed_1lai 1
173 ub+0.7 200 81 200 91 parsed_1lai 1
174 ub+0.5 201 81 201 91 parsed_1lai 1
175 ub+0.5 202 81 202 91 parsed_1lai 1
176 gen 203 81 203 91 parsed_1lai 1
177 nc 204 81 204 91 parsed_1lai 1
178 ub+1.5 205 81 205 91 parsed_1lai 1
179 ub=5.7 206 81 206 91 parsed_1lai 1
180 gen 207 81 207 91 parsed_1lai 1
181 nc 208 81 208 91 parsed_1lai 1
182
;
nc
assign ( resid 23 and name H5 )( resid 22 and name H5 ) 4.32 0.62 0.62 ! OFF
;
209 81 210 93 parsed_1lai 1
183 ub+0.5 211 81 211 91 parsed_1lai 1
184 gen 212 81 212 91 parsed_1lai 1
185 nc 213 81 213 91 parsed_1lai 1
186
;
nc
assign ( resid 25 and name H6 )( resid 24 and name H4' ) 3.92 0.96 0.96 ! OFF
;
214 81 215 93 parsed_1lai 1
187 ub+0.7 216 81 216 91 parsed_1lai 1
188 nc 217 81 217 91 parsed_1lai 1
189 ub+0.5 218 81 218 91 parsed_1lai 1
190 nc 219 81 219 91 parsed_1lai 1
191 gen 220 81 220 91 parsed_1lai 1
stop_
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1lai
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 4
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on echo=on end
! Class 2 Distance Restraints
set message=off echo=off end
;
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lai
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_1lai 2
2 1 . . . parsed_1lai 2
3 1 . . . parsed_1lai 2
4 1 . . . parsed_1lai 2
5 1 . . . parsed_1lai 2
6 1 . . . parsed_1lai 2
7 1 . . . parsed_1lai 2
8 1 . . . parsed_1lai 2
9 1 . . . parsed_1lai 2
10 1 . . . parsed_1lai 2
11 1 . . . parsed_1lai 2
12 1 . . . parsed_1lai 2
13 1 . . . parsed_1lai 2
14 1 . . . parsed_1lai 2
15 1 . . . parsed_1lai 2
16 1 . . . parsed_1lai 2
17 1 . . . parsed_1lai 2
18 1 . . . parsed_1lai 2
19 1 . . . parsed_1lai 2
20 1 . . . parsed_1lai 2
21 1 . . . parsed_1lai 2
22 1 . . . parsed_1lai 2
23 1 . . . parsed_1lai 2
24 1 . . . parsed_1lai 2
25 1 . . . parsed_1lai 2
26 1 . . . parsed_1lai 2
27 1 . . . parsed_1lai 2
28 1 . . . parsed_1lai 2
29 1 . . . parsed_1lai 2
30 1 . . . parsed_1lai 2
31 1 . . . parsed_1lai 2
32 1 . . . parsed_1lai 2
33 1 . . . parsed_1lai 2
34 1 . . . parsed_1lai 2
35 1 . . . parsed_1lai 2
36 1 . . . parsed_1lai 2
37 1 . . . parsed_1lai 2
38 1 . . . parsed_1lai 2
39 1 . . . parsed_1lai 2
40 1 . . . parsed_1lai 2
41 1 . . . parsed_1lai 2
42 1 . . . parsed_1lai 2
43 1 . . . parsed_1lai 2
44 1 . . . parsed_1lai 2
45 1 . . . parsed_1lai 2
46 1 . . . parsed_1lai 2
47 1 . . . parsed_1lai 2
48 1 . . . parsed_1lai 2
49 1 . . . parsed_1lai 2
50 1 . . . parsed_1lai 2
51 1 . . . parsed_1lai 2
52 1 . . . parsed_1lai 2
53 1 . . . parsed_1lai 2
54 1 . . . parsed_1lai 2
55 1 . . . parsed_1lai 2
56 1 . . . parsed_1lai 2
57 1 . . . parsed_1lai 2
58 1 . . . parsed_1lai 2
59 1 . . . parsed_1lai 2
60 1 . . . parsed_1lai 2
61 1 . . . parsed_1lai 2
62 1 . . . parsed_1lai 2
63 1 . . . parsed_1lai 2
64 1 . . . parsed_1lai 2
65 1 . . . parsed_1lai 2
66 1 . . . parsed_1lai 2
67 1 . . . parsed_1lai 2
68 1 . . . parsed_1lai 2
69 1 . . . parsed_1lai 2
70 1 . . . parsed_1lai 2
71 1 . . . parsed_1lai 2
72 1 . . . parsed_1lai 2
73 1 . . . parsed_1lai 2
74 1 . . . parsed_1lai 2
75 1 . . . parsed_1lai 2
76 1 . . . parsed_1lai 2
77 1 . . . parsed_1lai 2
78 1 . . . parsed_1lai 2
79 1 . . . parsed_1lai 2
80 1 . . . parsed_1lai 2
81 1 . . . parsed_1lai 2
82 1 . . . parsed_1lai 2
83 1 . . . parsed_1lai 2
84 1 . . . parsed_1lai 2
85 1 . . . parsed_1lai 2
86 1 . . . parsed_1lai 2
87 1 . . . parsed_1lai 2
88 1 . . . parsed_1lai 2
89 1 . . . parsed_1lai 2
90 1 . . . parsed_1lai 2
91 1 . . . parsed_1lai 2
92 1 . . . parsed_1lai 2
93 1 . . . parsed_1lai 2
94 1 . . . parsed_1lai 2
95 1 . . . parsed_1lai 2
96 1 . . . parsed_1lai 2
97 1 . . . parsed_1lai 2
98 1 . . . parsed_1lai 2
99 1 . . . parsed_1lai 2
100 1 . . . parsed_1lai 2
101 1 . . . parsed_1lai 2
102 1 . . . parsed_1lai 2
103 1 . . . parsed_1lai 2
104 1 . . . parsed_1lai 2
105 1 . . . parsed_1lai 2
106 1 . . . parsed_1lai 2
107 1 . . . parsed_1lai 2
108 1 . . . parsed_1lai 2
109 1 . . . parsed_1lai 2
110 1 . . . parsed_1lai 2
111 1 . . . parsed_1lai 2
112 1 . . . parsed_1lai 2
113 1 . . . parsed_1lai 2
114 1 . . . parsed_1lai 2
115 1 . . . parsed_1lai 2
116 1 . . . parsed_1lai 2
117 1 . . . parsed_1lai 2
118 1 . . . parsed_1lai 2
119 1 . . . parsed_1lai 2
120 1 . . . parsed_1lai 2
121 1 . . . parsed_1lai 2
122 1 . . . parsed_1lai 2
123 1 . . . parsed_1lai 2
124 1 . . . parsed_1lai 2
125 1 . . . parsed_1lai 2
126 1 . . . parsed_1lai 2
127 1 . . . parsed_1lai 2
128 1 . . . parsed_1lai 2
129 1 . . . parsed_1lai 2
130 1 . . . parsed_1lai 2
131 1 . . . parsed_1lai 2
132 1 . . . parsed_1lai 2
133 1 . . . parsed_1lai 2
134 1 . . . parsed_1lai 2
135 1 . . . parsed_1lai 2
136 1 . . . parsed_1lai 2
137 1 . . . parsed_1lai 2
138 1 . . . parsed_1lai 2
139 1 . . . parsed_1lai 2
140 1 . . . parsed_1lai 2
141 1 . . . parsed_1lai 2
142 1 . . . parsed_1lai 2
143 1 . . . parsed_1lai 2
144 1 . . . parsed_1lai 2
145 1 . . . parsed_1lai 2
146 1 . . . parsed_1lai 2
147 1 . . . parsed_1lai 2
148 1 . . . parsed_1lai 2
149 1 . . . parsed_1lai 2
150 1 . . . parsed_1lai 2
151 1 . . . parsed_1lai 2
152 1 . . . parsed_1lai 2
153 1 . . . parsed_1lai 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 . H6 parsed_1lai 2
1 1 2 . . . . . . . . . 1 . H2'' parsed_1lai 2
2 1 1 . . . . . . . . . 1 . H2'' parsed_1lai 2
2 1 2 . . . . . . . . . 1 . H3' parsed_1lai 2
3 1 1 . . . . . . . . . 1 . H1' parsed_1lai 2
3 1 2 . . . . . . . . . 2 . H4' parsed_1lai 2
4 1 1 . . . . . . . . . 1 . H2' parsed_1lai 2
4 1 2 . . . . . . . . . 1 . H4' parsed_1lai 2
5 1 1 . . . . . . . . . 2 . H8 parsed_1lai 2
5 1 2 . . . . . . . . . 1 . H1' parsed_1lai 2
6 1 1 . . . . . . . . . 2 . H8 parsed_1lai 2
6 1 2 . . . . . . . . . 1 . H2' parsed_1lai 2
7 1 1 . . . . . . . . . 2 . H8 parsed_1lai 2
7 1 2 . . . . . . . . . 1 . H3' parsed_1lai 2
8 1 1 . . . . . . . . . 2 . H8 parsed_1lai 2
8 1 2 . . . . . . . . . 2 . H5' parsed_1lai 2
9 1 1 . . . . . . . . . 2 . H8 parsed_1lai 2
9 1 2 . . . . . . . . . 2 . H5'' parsed_1lai 2
10 1 1 . . . . . . . . . 3 . H6 parsed_1lai 2
10 1 2 . . . . . . . . . 2 . H1' parsed_1lai 2
11 1 1 . . . . . . . . . 3 . H5 parsed_1lai 2
11 1 2 . . . . . . . . . 3 . H1' parsed_1lai 2
12 1 1 . . . . . . . . . 3 . H5 parsed_1lai 2
12 1 2 . . . . . . . . . 2 . H2'' parsed_1lai 2
13 1 1 . . . . . . . . . 3 . H6 parsed_1lai 2
13 1 2 . . . . . . . . . 2 . H3' parsed_1lai 2
14 1 1 . . . . . . . . . 3 . H1' parsed_1lai 2
14 1 2 . . . . . . . . . 4 . H4' parsed_1lai 2
15 1 1 . . . . . . . . . 3 . H2'' parsed_1lai 2
15 1 2 . . . . . . . . . 3 . H5 parsed_1lai 2
16 1 1 . . . . . . . . . 4 . H8 parsed_1lai 2
16 1 2 . . . . . . . . . 4 . H1' parsed_1lai 2
17 1 1 . . . . . . . . . 4 . H8 parsed_1lai 2
17 1 2 . . . . . . . . . 3 . H1' parsed_1lai 2
18 1 1 . . . . . . . . . 5 . H8 parsed_1lai 2
18 1 2 . . . . . . . . . 5 . H2' parsed_1lai 2
19 1 1 . . . . . . . . . 5 . H8 parsed_1lai 2
19 1 2 . . . . . . . . . 4 . H2' parsed_1lai 2
20 1 1 . . . . . . . . . 5 . H1' parsed_1lai 2
20 1 2 . . . . . . . . . 5 . H2'' parsed_1lai 2
21 1 1 . . . . . . . . . 5 . H1' parsed_1lai 2
21 1 2 . . . . . . . . . 5 . H3' parsed_1lai 2
22 1 1 . . . . . . . . . 5 . H1' parsed_1lai 2
22 1 2 . . . . . . . . . 5 . H4' parsed_1lai 2
23 1 1 . . . . . . . . . 5 . H2'' parsed_1lai 2
23 1 2 . . . . . . . . . 5 . H4' parsed_1lai 2
24 1 1 . . . . . . . . . 5 . H3' parsed_1lai 2
24 1 2 . . . . . . . . . 5 . H4' parsed_1lai 2
25 1 1 . . . . . . . . . 6 . H5# parsed_1lai 2
25 1 2 . . . . . . . . . 5 . H1' parsed_1lai 2
26 1 1 . . . . . . . . . 6 . H6 parsed_1lai 2
26 1 2 . . . . . . . . . 5 . H2' parsed_1lai 2
27 1 1 . . . . . . . . . 6 . H5# parsed_1lai 2
27 1 2 . . . . . . . . . 6 . H2' parsed_1lai 2
28 1 1 . . . . . . . . . 6 . H6 parsed_1lai 2
28 1 2 . . . . . . . . . 6 . H2'' parsed_1lai 2
29 1 1 . . . . . . . . . 6 . H5# parsed_1lai 2
29 1 2 . . . . . . . . . 5 . H2'' parsed_1lai 2
30 1 1 . . . . . . . . . 6 . H6 parsed_1lai 2
30 1 2 . . . . . . . . . 6 . H4' parsed_1lai 2
31 1 1 . . . . . . . . . 6 . H2' parsed_1lai 2
31 1 2 . . . . . . . . . 6 . H4' parsed_1lai 2
32 1 1 . . . . . . . . . 6 . H5' parsed_1lai 2
32 1 1 . . . . . . . . . 6 . H5'' parsed_1lai 2
32 1 2 . . . . . . . . . 6 . H6 parsed_1lai 2
33 1 1 . . . . . . . . . 7 . H8 parsed_1lai 2
33 1 2 . . . . . . . . . 7 . H2' parsed_1lai 2
34 1 1 . . . . . . . . . 7 . H8 parsed_1lai 2
34 1 2 . . . . . . . . . 7 . H2'' parsed_1lai 2
35 1 1 . . . . . . . . . 7 . H1' parsed_1lai 2
35 1 2 . . . . . . . . . 7 . H2'' parsed_1lai 2
36 1 1 . . . . . . . . . 7 . H8 parsed_1lai 2
36 1 2 . . . . . . . . . 7 . H3' parsed_1lai 2
37 1 1 . . . . . . . . . 7 . H8 parsed_1lai 2
37 1 2 . . . . . . . . . 6 . H3' parsed_1lai 2
38 1 1 . . . . . . . . . 7 . H1' parsed_1lai 2
38 1 2 . . . . . . . . . 7 . H3' parsed_1lai 2
39 1 1 . . . . . . . . . 7 . H1' parsed_1lai 2
39 1 2 . . . . . . . . . 8 . H3' parsed_1lai 2
40 1 1 . . . . . . . . . 7 . H1' parsed_1lai 2
40 1 2 . . . . . . . . . 7 . H4' parsed_1lai 2
41 1 1 . . . . . . . . . 8 . H5# parsed_1lai 2
41 1 2 . . . . . . . . . 7 . H1' parsed_1lai 2
42 1 1 . . . . . . . . . 8 . H5# parsed_1lai 2
42 1 2 . . . . . . . . . 8 . H1' parsed_1lai 2
43 1 1 . . . . . . . . . 8 . H5# parsed_1lai 2
43 1 2 . . . . . . . . . 7 . H2' parsed_1lai 2
44 1 1 . . . . . . . . . 8 . H5# parsed_1lai 2
44 1 2 . . . . . . . . . 7 . H2'' parsed_1lai 2
45 1 1 . . . . . . . . . 8 . H6 parsed_1lai 2
45 1 2 . . . . . . . . . 7 . H3' parsed_1lai 2
46 1 1 . . . . . . . . . 8 . H5# parsed_1lai 2
46 1 2 . . . . . . . . . 7 . H3' parsed_1lai 2
47 1 1 . . . . . . . . . 8 . H2' parsed_1lai 2
47 1 2 . . . . . . . . . 8 . H4' parsed_1lai 2
48 1 1 . . . . . . . . . 8 . H5' parsed_1lai 2
48 1 1 . . . . . . . . . 8 . H5'' parsed_1lai 2
48 1 2 . . . . . . . . . 8 . H1' parsed_1lai 2
49 1 1 . . . . . . . . . 9 . H6 parsed_1lai 2
49 1 2 . . . . . . . . . 9 . H2' parsed_1lai 2
50 1 1 . . . . . . . . . 9 . H6 parsed_1lai 2
50 1 2 . . . . . . . . . 8 . H2' parsed_1lai 2
51 1 1 . . . . . . . . . 9 . H6 parsed_1lai 2
51 1 2 . . . . . . . . . 9 . H2'' parsed_1lai 2
52 1 1 . . . . . . . . . 9 . H6 parsed_1lai 2
52 1 2 . . . . . . . . . 8 . H2'' parsed_1lai 2
53 1 1 . . . . . . . . . 10 . H6 parsed_1lai 2
53 1 2 . . . . . . . . . 10 . H2' parsed_1lai 2
54 1 1 . . . . . . . . . 10 . H6 parsed_1lai 2
54 1 2 . . . . . . . . . 10 . H2'' parsed_1lai 2
55 1 1 . . . . . . . . . 10 . H1' parsed_1lai 2
55 1 2 . . . . . . . . . 10 . H2'' parsed_1lai 2
56 1 1 . . . . . . . . . 10 . H1' parsed_1lai 2
56 1 2 . . . . . . . . . 11 . H4' parsed_1lai 2
57 1 1 . . . . . . . . . 11 . H1' parsed_1lai 2
57 1 2 . . . . . . . . . 11 . H4' parsed_1lai 2
58 1 1 . . . . . . . . . 12 . H6 parsed_1lai 2
58 1 2 . . . . . . . . . 12 . H1' parsed_1lai 2
59 1 1 . . . . . . . . . 12 . H6 parsed_1lai 2
59 1 2 . . . . . . . . . 11 . H1' parsed_1lai 2
60 1 1 . . . . . . . . . 12 . H5 parsed_1lai 2
60 1 2 . . . . . . . . . 12 . H1' parsed_1lai 2
61 1 1 . . . . . . . . . 12 . H6 parsed_1lai 2
61 1 2 . . . . . . . . . 12 . H2' parsed_1lai 2
62 1 1 . . . . . . . . . 12 . H6 parsed_1lai 2
62 1 2 . . . . . . . . . 11 . H2' parsed_1lai 2
63 1 1 . . . . . . . . . 12 . H5 parsed_1lai 2
63 1 2 . . . . . . . . . 11 . H2' parsed_1lai 2
64 1 1 . . . . . . . . . 12 . H6 parsed_1lai 2
64 1 2 . . . . . . . . . 11 . H2'' parsed_1lai 2
65 1 1 . . . . . . . . . 12 . H5 parsed_1lai 2
65 1 2 . . . . . . . . . 11 . H2'' parsed_1lai 2
66 1 1 . . . . . . . . . 12 . H6 parsed_1lai 2
66 1 2 . . . . . . . . . 11 . H3' parsed_1lai 2
67 1 1 . . . . . . . . . 13 . H8 parsed_1lai 2
67 1 2 . . . . . . . . . 12 . H1' parsed_1lai 2
68 1 1 . . . . . . . . . 13 . H8 parsed_1lai 2
68 1 2 . . . . . . . . . 12 . H2' parsed_1lai 2
69 1 1 . . . . . . . . . 13 . H8 parsed_1lai 2
69 1 2 . . . . . . . . . 13 . H3' parsed_1lai 2
70 1 1 . . . . . . . . . 13 . H2'' parsed_1lai 2
70 1 2 . . . . . . . . . 13 . H3' parsed_1lai 2
71 1 1 . . . . . . . . . 13 . H8 parsed_1lai 2
71 1 2 . . . . . . . . . 13 . H4' parsed_1lai 2
72 1 1 . . . . . . . . . 13 . H3' parsed_1lai 2
72 1 2 . . . . . . . . . 13 . H4' parsed_1lai 2
73 1 1 . . . . . . . . . 14 . H6 parsed_1lai 2
73 1 2 . . . . . . . . . 14 . H2'' parsed_1lai 2
74 1 1 . . . . . . . . . 14 . H2'' parsed_1lai 2
74 1 2 . . . . . . . . . 14 . H3' parsed_1lai 2
75 1 1 . . . . . . . . . 14 . H1' parsed_1lai 2
75 1 2 . . . . . . . . . 15 . H4' parsed_1lai 2
76 1 1 . . . . . . . . . 14 . H2' parsed_1lai 2
76 1 2 . . . . . . . . . 14 . H4' parsed_1lai 2
77 1 1 . . . . . . . . . 15 . H8 parsed_1lai 2
77 1 2 . . . . . . . . . 14 . H1' parsed_1lai 2
78 1 1 . . . . . . . . . 15 . H8 parsed_1lai 2
78 1 2 . . . . . . . . . 14 . H2' parsed_1lai 2
79 1 1 . . . . . . . . . 15 . H8 parsed_1lai 2
79 1 2 . . . . . . . . . 14 . H3' parsed_1lai 2
80 1 1 . . . . . . . . . 15 . H8 parsed_1lai 2
80 1 2 . . . . . . . . . 15 . H5' parsed_1lai 2
81 1 1 . . . . . . . . . 16 . H6 parsed_1lai 2
81 1 2 . . . . . . . . . 15 . H1' parsed_1lai 2
82 1 1 . . . . . . . . . 16 . H5 parsed_1lai 2
82 1 2 . . . . . . . . . 16 . H1' parsed_1lai 2
83 1 1 . . . . . . . . . 16 . H1' parsed_1lai 2
83 1 2 . . . . . . . . . 16 . H2' parsed_1lai 2
84 1 1 . . . . . . . . . 16 . H5 parsed_1lai 2
84 1 2 . . . . . . . . . 15 . H2'' parsed_1lai 2
85 1 1 . . . . . . . . . 16 . H1' parsed_1lai 2
85 1 2 . . . . . . . . . 16 . H2'' parsed_1lai 2
86 1 1 . . . . . . . . . 16 . H6 parsed_1lai 2
86 1 2 . . . . . . . . . 16 . H3' parsed_1lai 2
87 1 1 . . . . . . . . . 16 . H6 parsed_1lai 2
87 1 2 . . . . . . . . . 15 . H3' parsed_1lai 2
88 1 1 . . . . . . . . . 16 . H2'' parsed_1lai 2
88 1 2 . . . . . . . . . 16 . H5 parsed_1lai 2
89 1 1 . . . . . . . . . 17 . H8 parsed_1lai 2
89 1 2 . . . . . . . . . 17 . H2' parsed_1lai 2
90 1 1 . . . . . . . . . 17 . H8 parsed_1lai 2
90 1 2 . . . . . . . . . 17 . H2'' parsed_1lai 2
91 1 1 . . . . . . . . . 17 . H8 parsed_1lai 2
91 1 2 . . . . . . . . . 17 . H3' parsed_1lai 2
92 1 1 . . . . . . . . . 17 . H1' parsed_1lai 2
92 1 2 . . . . . . . . . 17 . H3' parsed_1lai 2
93 1 1 . . . . . . . . . 17 . H2' parsed_1lai 2
93 1 2 . . . . . . . . . 17 . H4' parsed_1lai 2
94 1 1 . . . . . . . . . 17 . H2'' parsed_1lai 2
94 1 2 . . . . . . . . . 17 . H4' parsed_1lai 2
95 1 1 . . . . . . . . . 18 . H8 parsed_1lai 2
95 1 2 . . . . . . . . . 18 . H2' parsed_1lai 2
96 1 1 . . . . . . . . . 18 . H8 parsed_1lai 2
96 1 2 . . . . . . . . . 18 . H2'' parsed_1lai 2
97 1 1 . . . . . . . . . 18 . H1' parsed_1lai 2
97 1 2 . . . . . . . . . 18 . H2'' parsed_1lai 2
98 1 1 . . . . . . . . . 18 . H1' parsed_1lai 2
98 1 2 . . . . . . . . . 18 . H3' parsed_1lai 2
99 1 1 . . . . . . . . . 18 . H1' parsed_1lai 2
99 1 2 . . . . . . . . . 18 . H4' parsed_1lai 2
100 1 1 . . . . . . . . . 18 . H5' parsed_1lai 2
100 1 1 . . . . . . . . . 18 . H5'' parsed_1lai 2
100 1 2 . . . . . . . . . 18 . H8 parsed_1lai 2
101 1 1 . . . . . . . . . 19 . H8 parsed_1lai 2
101 1 2 . . . . . . . . . 19 . H2' parsed_1lai 2
102 1 1 . . . . . . . . . 19 . H8 parsed_1lai 2
102 1 2 . . . . . . . . . 18 . H2' parsed_1lai 2
103 1 1 . . . . . . . . . 19 . H8 parsed_1lai 2
103 1 2 . . . . . . . . . 18 . H2'' parsed_1lai 2
104 1 1 . . . . . . . . . 19 . H1' parsed_1lai 2
104 1 2 . . . . . . . . . 19 . H4' parsed_1lai 2
105 1 1 . . . . . . . . . 20 . H5 parsed_1lai 2
105 1 2 . . . . . . . . . 20 . H1' parsed_1lai 2
106 1 1 . . . . . . . . . 20 . H5 parsed_1lai 2
106 1 2 . . . . . . . . . 19 . H2' parsed_1lai 2
107 1 1 . . . . . . . . . 20 . H1' parsed_1lai 2
107 1 2 . . . . . . . . . 20 . H2' parsed_1lai 2
108 1 1 . . . . . . . . . 20 . H5 parsed_1lai 2
108 1 2 . . . . . . . . . 19 . H2'' parsed_1lai 2
109 1 1 . . . . . . . . . 20 . H1' parsed_1lai 2
109 1 2 . . . . . . . . . 20 . H2'' parsed_1lai 2
110 1 1 . . . . . . . . . 20 . H6 parsed_1lai 2
110 1 2 . . . . . . . . . 20 . H3' parsed_1lai 2
111 1 1 . . . . . . . . . 20 . H6 parsed_1lai 2
111 1 2 . . . . . . . . . 19 . H3' parsed_1lai 2
112 1 1 . . . . . . . . . 20 . H5 parsed_1lai 2
112 1 2 . . . . . . . . . 19 . H3' parsed_1lai 2
113 1 1 . . . . . . . . . 20 . H2'' parsed_1lai 2
113 1 2 . . . . . . . . . 20 . H3' parsed_1lai 2
114 1 1 . . . . . . . . . 20 . H6 parsed_1lai 2
114 1 2 . . . . . . . . . 20 . H4' parsed_1lai 2
115 1 1 . . . . . . . . . 20 . H5' parsed_1lai 2
115 1 1 . . . . . . . . . 20 . H5'' parsed_1lai 2
115 1 2 . . . . . . . . . 20 . H1' parsed_1lai 2
116 1 1 . . . . . . . . . 21 . H1' parsed_1lai 2
116 1 2 . . . . . . . . . 21 . H4' parsed_1lai 2
117 1 1 . . . . . . . . . 21 . H8 parsed_1lai 2
117 1 2 . . . . . . . . . 21 . H5' parsed_1lai 2
118 1 1 . . . . . . . . . 21 . H8 parsed_1lai 2
118 1 2 . . . . . . . . . 21 . H5'' parsed_1lai 2
119 1 1 . . . . . . . . . 22 . H5 parsed_1lai 2
119 1 2 . . . . . . . . . 21 . H1' parsed_1lai 2
120 1 1 . . . . . . . . . 22 . H5 parsed_1lai 2
120 1 2 . . . . . . . . . 22 . H1' parsed_1lai 2
121 1 1 . . . . . . . . . 22 . H6 parsed_1lai 2
121 1 2 . . . . . . . . . 22 . H2' parsed_1lai 2
122 1 1 . . . . . . . . . 22 . H5 parsed_1lai 2
122 1 2 . . . . . . . . . 21 . H2' parsed_1lai 2
123 1 1 . . . . . . . . . 22 . H1' parsed_1lai 2
123 1 2 . . . . . . . . . 22 . H2' parsed_1lai 2
124 1 1 . . . . . . . . . 22 . H6 parsed_1lai 2
124 1 2 . . . . . . . . . 22 . H2'' parsed_1lai 2
125 1 1 . . . . . . . . . 22 . H6 parsed_1lai 2
125 1 2 . . . . . . . . . 21 . H2'' parsed_1lai 2
126 1 1 . . . . . . . . . 22 . H5 parsed_1lai 2
126 1 2 . . . . . . . . . 21 . H2'' parsed_1lai 2
127 1 1 . . . . . . . . . 22 . H1' parsed_1lai 2
127 1 2 . . . . . . . . . 22 . H2'' parsed_1lai 2
128 1 1 . . . . . . . . . 22 . H6 parsed_1lai 2
128 1 2 . . . . . . . . . 22 . H3' parsed_1lai 2
129 1 1 . . . . . . . . . 22 . H6 parsed_1lai 2
129 1 2 . . . . . . . . . 21 . H3' parsed_1lai 2
130 1 1 . . . . . . . . . 22 . H5 parsed_1lai 2
130 1 2 . . . . . . . . . 21 . H3' parsed_1lai 2
131 1 1 . . . . . . . . . 22 . H2'' parsed_1lai 2
131 1 2 . . . . . . . . . 22 . H3' parsed_1lai 2
132 1 1 . . . . . . . . . 23 . H6 parsed_1lai 2
132 1 2 . . . . . . . . . 23 . H1' parsed_1lai 2
133 1 1 . . . . . . . . . 23 . H6 parsed_1lai 2
133 1 2 . . . . . . . . . 23 . H2' parsed_1lai 2
134 1 1 . . . . . . . . . 23 . H6 parsed_1lai 2
134 1 2 . . . . . . . . . 22 . H2' parsed_1lai 2
135 1 1 . . . . . . . . . 23 . H5 parsed_1lai 2
135 1 2 . . . . . . . . . 22 . H2' parsed_1lai 2
136 1 1 . . . . . . . . . 23 . H6 parsed_1lai 2
136 1 2 . . . . . . . . . 23 . H2'' parsed_1lai 2
137 1 1 . . . . . . . . . 23 . H6 parsed_1lai 2
137 1 2 . . . . . . . . . 22 . H2'' parsed_1lai 2
138 1 1 . . . . . . . . . 23 . H1' parsed_1lai 2
138 1 2 . . . . . . . . . 23 . H2'' parsed_1lai 2
139 1 1 . . . . . . . . . 23 . H1' parsed_1lai 2
139 1 2 . . . . . . . . . 24 . H4' parsed_1lai 2
140 1 1 . . . . . . . . . 25 . H6 parsed_1lai 2
140 1 2 . . . . . . . . . 25 . H1' parsed_1lai 2
141 1 1 . . . . . . . . . 25 . H6 parsed_1lai 2
141 1 2 . . . . . . . . . 24 . H1' parsed_1lai 2
142 1 1 . . . . . . . . . 25 . H5 parsed_1lai 2
142 1 2 . . . . . . . . . 25 . H1' parsed_1lai 2
143 1 1 . . . . . . . . . 25 . H6 parsed_1lai 2
143 1 2 . . . . . . . . . 25 . H2' parsed_1lai 2
144 1 1 . . . . . . . . . 25 . H6 parsed_1lai 2
144 1 2 . . . . . . . . . 24 . H2' parsed_1lai 2
145 1 1 . . . . . . . . . 25 . H5 parsed_1lai 2
145 1 2 . . . . . . . . . 24 . H2' parsed_1lai 2
146 1 1 . . . . . . . . . 25 . H6 parsed_1lai 2
146 1 2 . . . . . . . . . 24 . H2'' parsed_1lai 2
147 1 1 . . . . . . . . . 25 . H5 parsed_1lai 2
147 1 2 . . . . . . . . . 24 . H2'' parsed_1lai 2
148 1 1 . . . . . . . . . 25 . H6 parsed_1lai 2
148 1 2 . . . . . . . . . 24 . H3' parsed_1lai 2
149 1 1 . . . . . . . . . 26 . H8 parsed_1lai 2
149 1 2 . . . . . . . . . 25 . H1' parsed_1lai 2
150 1 1 . . . . . . . . . 26 . H8 parsed_1lai 2
150 1 2 . . . . . . . . . 25 . H2' parsed_1lai 2
151 1 1 . . . . . . . . . 26 . H8 parsed_1lai 2
151 1 2 . . . . . . . . . 26 . H3' parsed_1lai 2
152 1 1 . . . . . . . . . 26 . H8 parsed_1lai 2
152 1 2 . . . . . . . . . 26 . H4' parsed_1lai 2
153 1 1 . . . . . . . . . 26 . H3' parsed_1lai 2
153 1 2 . . . . . . . . . 26 . H4' parsed_1lai 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 . . . . . 2.71 1.88 3.54 parsed_1lai 2
2 1 . . . . . 2.46 2.01 2.91 parsed_1lai 2
3 1 . . . . . 3.81 2.53 5.10 parsed_1lai 2
4 1 . . . . . 3.79 2.75 4.83 parsed_1lai 2
5 1 . . . . . 3.28 2.43 4.13 parsed_1lai 2
6 1 . . . . . 3.59 3.40 3.78 parsed_1lai 2
7 1 . . . . . 3.89 2.99 4.79 parsed_1lai 2
8 1 . . . . . 3.92 3.27 4.58 parsed_1lai 2
9 1 . . . . . 3.91 2.95 4.87 parsed_1lai 2
10 1 . . . . . 3.33 2.56 4.09 parsed_1lai 2
11 1 . . . . . 5.12 4.45 5.79 parsed_1lai 2
12 1 . . . . . 2.83 2.26 3.39 parsed_1lai 2
13 1 . . . . . 4.50 3.64 5.37 parsed_1lai 2
14 1 . . . . . 4.01 2.93 5.09 parsed_1lai 2
15 1 . . . . . 3.96 2.22 5.70 parsed_1lai 2
16 1 . . . . . 2.75 1.63 3.87 parsed_1lai 2
17 1 . . . . . 3.36 2.64 4.07 parsed_1lai 2
18 1 . . . . . 2.31 2.19 2.43 parsed_1lai 2
19 1 . . . . . 3.71 3.40 4.03 parsed_1lai 2
20 1 . . . . . 2.35 2.05 2.65 parsed_1lai 2
21 1 . . . . . 2.94 1.68 4.20 parsed_1lai 2
22 1 . . . . . 3.40 2.46 4.34 parsed_1lai 2
23 1 . . . . . 3.17 2.18 4.16 parsed_1lai 2
24 1 . . . . . 2.54 2.21 2.87 parsed_1lai 2
25 1 . . . . . 4.10 3.26 4.94 parsed_1lai 2
26 1 . . . . . 3.69 3.40 3.98 parsed_1lai 2
27 1 . . . . . 3.31 2.08 4.54 parsed_1lai 2
28 1 . . . . . 2.98 2.27 3.69 parsed_1lai 2
29 1 . . . . . 3.32 2.87 3.77 parsed_1lai 2
30 1 . . . . . 3.88 2.79 4.97 parsed_1lai 2
31 1 . . . . . 3.34 2.26 4.42 parsed_1lai 2
32 1 . . . . . 4.83 3.75 5.91 parsed_1lai 2
33 1 . . . . . 2.31 2.12 2.50 parsed_1lai 2
34 1 . . . . . 3.07 2.27 3.87 parsed_1lai 2
35 1 . . . . . 2.17 1.99 2.35 parsed_1lai 2
36 1 . . . . . 3.29 2.08 4.50 parsed_1lai 2
37 1 . . . . . 3.64 2.35 4.93 parsed_1lai 2
38 1 . . . . . 2.98 1.98 3.98 parsed_1lai 2
39 1 . . . . . 4.28 2.55 6.00 parsed_1lai 2
40 1 . . . . . 3.50 2.57 4.42 parsed_1lai 2
41 1 . . . . . 4.34 3.55 5.13 parsed_1lai 2
42 1 . . . . . 6.47 5.59 7.36 parsed_1lai 2
43 1 . . . . . 3.32 2.96 3.68 parsed_1lai 2
44 1 . . . . . 3.25 2.92 3.58 parsed_1lai 2
45 1 . . . . . 3.91 2.96 4.86 parsed_1lai 2
46 1 . . . . . 4.17 3.28 5.06 parsed_1lai 2
47 1 . . . . . 3.19 1.93 4.45 parsed_1lai 2
48 1 . . . . . 3.90 2.56 5.23 parsed_1lai 2
49 1 . . . . . 2.26 2.05 2.48 parsed_1lai 2
50 1 . . . . . 3.71 3.40 4.01 parsed_1lai 2
51 1 . . . . . 3.19 2.38 4.00 parsed_1lai 2
52 1 . . . . . 2.59 2.30 2.88 parsed_1lai 2
53 1 . . . . . 2.29 2.09 2.48 parsed_1lai 2
54 1 . . . . . 3.17 2.32 4.02 parsed_1lai 2
55 1 . . . . . 2.12 1.99 2.25 parsed_1lai 2
56 1 . . . . . 3.90 2.71 5.09 parsed_1lai 2
57 1 . . . . . 3.09 2.27 3.91 parsed_1lai 2
58 1 . . . . . 3.17 2.27 4.06 parsed_1lai 2
59 1 . . . . . 3.15 2.55 3.75 parsed_1lai 2
60 1 . . . . . 5.11 4.37 5.84 parsed_1lai 2
61 1 . . . . . 2.21 2.06 2.36 parsed_1lai 2
62 1 . . . . . 3.74 3.40 4.07 parsed_1lai 2
63 1 . . . . . 3.22 2.62 3.82 parsed_1lai 2
64 1 . . . . . 2.48 2.29 2.67 parsed_1lai 2
65 1 . . . . . 2.81 2.27 3.35 parsed_1lai 2
66 1 . . . . . 4.58 3.89 5.27 parsed_1lai 2
67 1 . . . . . 3.33 2.62 4.04 parsed_1lai 2
68 1 . . . . . 3.70 3.40 3.99 parsed_1lai 2
69 1 . . . . . 3.67 2.44 4.91 parsed_1lai 2
70 1 . . . . . 2.50 2.25 2.75 parsed_1lai 2
71 1 . . . . . 4.08 3.24 4.92 parsed_1lai 2
72 1 . . . . . 2.49 2.15 2.83 parsed_1lai 2
73 1 . . . . . 2.71 1.87 3.55 parsed_1lai 2
74 1 . . . . . 2.42 2.10 2.75 parsed_1lai 2
75 1 . . . . . 3.86 2.63 5.09 parsed_1lai 2
76 1 . . . . . 3.74 2.64 4.83 parsed_1lai 2
77 1 . . . . . 3.25 2.46 4.04 parsed_1lai 2
78 1 . . . . . 3.72 3.40 4.04 parsed_1lai 2
79 1 . . . . . 3.97 3.00 4.94 parsed_1lai 2
80 1 . . . . . 3.95 3.26 4.64 parsed_1lai 2
81 1 . . . . . 3.23 2.59 3.87 parsed_1lai 2
82 1 . . . . . 5.11 4.45 5.76 parsed_1lai 2
83 1 . . . . . 2.75 2.27 3.24 parsed_1lai 2
84 1 . . . . . 2.76 2.21 3.32 parsed_1lai 2
85 1 . . . . . 2.15 2.03 2.27 parsed_1lai 2
86 1 . . . . . 4.33 3.02 5.63 parsed_1lai 2
87 1 . . . . . 4.72 3.96 5.48 parsed_1lai 2
88 1 . . . . . 4.04 2.38 5.70 parsed_1lai 2
89 1 . . . . . 2.29 2.05 2.52 parsed_1lai 2
90 1 . . . . . 2.96 2.25 3.67 parsed_1lai 2
91 1 . . . . . 3.60 2.59 4.61 parsed_1lai 2
92 1 . . . . . 3.25 2.66 3.85 parsed_1lai 2
93 1 . . . . . 3.96 2.77 5.16 parsed_1lai 2
94 1 . . . . . 4.03 2.92 5.13 parsed_1lai 2
95 1 . . . . . 2.16 1.98 2.34 parsed_1lai 2
96 1 . . . . . 2.87 2.15 3.59 parsed_1lai 2
97 1 . . . . . 2.11 1.96 2.26 parsed_1lai 2
98 1 . . . . . 3.37 2.88 3.85 parsed_1lai 2
99 1 . . . . . 3.07 2.22 3.92 parsed_1lai 2
100 1 . . . . . 4.25 3.52 4.98 parsed_1lai 2
101 1 . . . . . 2.21 2.04 2.39 parsed_1lai 2
102 1 . . . . . 3.88 3.40 4.37 parsed_1lai 2
103 1 . . . . . 2.64 2.30 2.98 parsed_1lai 2
104 1 . . . . . 3.54 2.72 4.36 parsed_1lai 2
105 1 . . . . . 5.33 4.63 6.03 parsed_1lai 2
106 1 . . . . . 2.77 2.29 3.25 parsed_1lai 2
107 1 . . . . . 2.82 2.24 3.39 parsed_1lai 2
108 1 . . . . . 3.21 2.61 3.81 parsed_1lai 2
109 1 . . . . . 2.26 2.09 2.43 parsed_1lai 2
110 1 . . . . . 3.62 2.44 4.80 parsed_1lai 2
111 1 . . . . . 4.03 3.05 5.00 parsed_1lai 2
112 1 . . . . . 4.42 3.73 5.10 parsed_1lai 2
113 1 . . . . . 2.84 2.37 3.32 parsed_1lai 2
114 1 . . . . . 3.71 2.67 4.75 parsed_1lai 2
115 1 . . . . . 3.93 2.90 4.97 parsed_1lai 2
116 1 . . . . . 3.30 2.44 4.16 parsed_1lai 2
117 1 . . . . . 3.28 2.81 3.75 parsed_1lai 2
118 1 . . . . . 4.00 3.23 4.78 parsed_1lai 2
119 1 . . . . . 3.91 3.06 4.76 parsed_1lai 2
120 1 . . . . . 5.33 4.71 5.95 parsed_1lai 2
121 1 . . . . . 2.33 2.14 2.52 parsed_1lai 2
122 1 . . . . . 2.77 2.32 3.22 parsed_1lai 2
123 1 . . . . . 3.00 2.47 3.53 parsed_1lai 2
124 1 . . . . . 3.27 2.34 4.20 parsed_1lai 2
125 1 . . . . . 2.55 2.30 2.81 parsed_1lai 2
126 1 . . . . . 3.12 2.60 3.64 parsed_1lai 2
127 1 . . . . . 2.25 2.08 2.42 parsed_1lai 2
128 1 . . . . . 3.41 2.27 4.55 parsed_1lai 2
129 1 . . . . . 4.30 3.57 5.03 parsed_1lai 2
130 1 . . . . . 4.46 3.23 5.68 parsed_1lai 2
131 1 . . . . . 3.02 2.51 3.53 parsed_1lai 2
132 1 . . . . . 3.08 2.30 3.86 parsed_1lai 2
133 1 . . . . . 2.28 2.10 2.46 parsed_1lai 2
134 1 . . . . . 3.64 3.40 3.88 parsed_1lai 2
135 1 . . . . . 2.76 2.28 3.24 parsed_1lai 2
136 1 . . . . . 3.66 2.73 4.59 parsed_1lai 2
137 1 . . . . . 2.65 2.30 3.00 parsed_1lai 2
138 1 . . . . . 2.06 1.94 2.18 parsed_1lai 2
139 1 . . . . . 3.96 2.81 5.10 parsed_1lai 2
140 1 . . . . . 3.17 2.29 4.05 parsed_1lai 2
141 1 . . . . . 3.17 2.61 3.74 parsed_1lai 2
142 1 . . . . . 4.82 4.00 5.64 parsed_1lai 2
143 1 . . . . . 2.21 2.06 2.37 parsed_1lai 2
144 1 . . . . . 3.70 3.40 4.00 parsed_1lai 2
145 1 . . . . . 3.01 2.33 3.69 parsed_1lai 2
146 1 . . . . . 2.50 2.29 2.71 parsed_1lai 2
147 1 . . . . . 2.86 2.43 3.29 parsed_1lai 2
148 1 . . . . . 4.70 4.03 5.37 parsed_1lai 2
149 1 . . . . . 3.33 2.64 4.02 parsed_1lai 2
150 1 . . . . . 3.69 3.40 3.98 parsed_1lai 2
151 1 . . . . . 3.70 2.45 4.95 parsed_1lai 2
152 1 . . . . . 4.08 3.16 5.00 parsed_1lai 2
153 1 . . . . . 2.50 2.16 2.84 parsed_1lai 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 ub+1.0 1 81 1 91 parsed_1lai 2
2 nc 2 81 2 91 parsed_1lai 2
3 ub=5.1 3 81 3 91 parsed_1lai 2
4
;
ub+1.0
assign ( resid 1 and name H1' )( resid 2 and name H5'' ) 3.67 1.27 1.26 ! OFF
;
4 81 5 93 parsed_1lai 2
5 nc 6 81 6 91 parsed_1lai 2
6 ub+0.5 7 81 7 91 parsed_1lai 2
7 ub+0.5 8 81 8 91 parsed_1lai 2
8 nc 9 81 9 91 parsed_1lai 2
9 nc 10 81 10 91 parsed_1lai 2
10 ub+0.7 11 81 11 91 parsed_1lai 2
11 nc 12 81 12 91 parsed_1lai 2
12 nc 13 81 13 91 parsed_1lai 2
13 nc 14 81 14 91 parsed_1lai 2
14 ub=5.1 15 81 15 91 parsed_1lai 2
15 ub=5.7 16 81 16 91 parsed_1lai 2
16 ub+0.7 17 81 17 91 parsed_1lai 2
17 ub 18 81 18 91 parsed_1lai 2
18 nc 19 81 19 91 parsed_1lai 2
19 nc 20 81 20 91 parsed_1lai 2
20 nc 21 81 21 91 parsed_1lai 2
21 ub+1.0 22 81 22 91 parsed_1lai 2
22 ub+1.0 23 81 23 91 parsed_1lai 2
23 ub+1.0 24 81 24 91 parsed_1lai 2
24 nc 25 81 25 91 parsed_1lai 2
25 nc 26 81 26 91 parsed_1lai 2
26 ub+0.5 27 81 27 91 parsed_1lai 2
27 ub+1.0 28 81 28 91 parsed_1lai 2
28 ub+0.5 29 81 29 91 parsed_1lai 2
29 nc 30 81 30 91 parsed_1lai 2
30 ub+1.0 31 81 31 91 parsed_1lai 2
31 ub+1.0 32 81 32 91 parsed_1lai 2
32 nc 34 81 34 91 parsed_1lai 2
33 nc 35 81 35 91 parsed_1lai 2
34 ub+0.5 36 81 36 91 parsed_1lai 2
35 nc 37 81 37 91 parsed_1lai 2
36 ub+1.0 38 81 38 91 parsed_1lai 2
37 ub+0.7 39 81 39 91 parsed_1lai 2
38 ub+0.5 40 81 40 91 parsed_1lai 2
39 ub=6 41 81 41 91 parsed_1lai 2
40 ub+1.0 42 81 42 91 parsed_1lai 2
41 nc 43 81 43 91 parsed_1lai 2
42 nc 44 81 44 91 parsed_1lai 2
43 nc 45 81 45 91 parsed_1lai 2
44 nc 46 81 46 91 parsed_1lai 2
45 nc 47 81 47 91 parsed_1lai 2
46 ub+0.5 48 81 48 91 parsed_1lai 2
47 ub+1.0 49 81 49 91 parsed_1lai 2
48
;
ub+2
assign ( resid 8 and name H1' )( resid 9 and name Q5' ) 4.78 1.46 1.46 ! OFF
;
51 81 52 93 parsed_1lai 2
49 nc 53 81 53 91 parsed_1lai 2
50 nc 54 81 54 91 parsed_1lai 2
51 ub+0.5 55 81 55 91 parsed_1lai 2
52 lb=2.5 56 81 56 91 parsed_1lai 2
53 nc 57 81 57 91 parsed_1lai 2
54 ub+0.5 58 81 58 91 parsed_1lai 2
55 nc 59 81 59 91 parsed_1lai 2
56
;
ub=5.1
assign ( resid 10 and name H1' )( resid 11 and name H5'' ) 3.76 1.20 1.20 ! OFF
assign ( resid 11 and name H1' )( resid 12 and name H2' ) 3.58 0.62 0.62 ! OFF
;
60 81 62 93 parsed_1lai 2
57 ub+1.0 63 81 63 91 parsed_1lai 2
58 ub+0.7 64 81 64 91 parsed_1lai 2
59 nc 65 81 65 91 parsed_1lai 2
60 nc 66 81 66 91 parsed_1lai 2
61 nc 67 81 67 91 parsed_1lai 2
62 nc 68 81 68 91 parsed_1lai 2
63 nc 69 81 69 91 parsed_1lai 2
64 lb=2.5 70 81 70 91 parsed_1lai 2
65 nc 71 81 71 91 parsed_1lai 2
66 nc 72 81 72 91 parsed_1lai 2
67 ub 73 81 73 91 parsed_1lai 2
68 nc 74 81 74 91 parsed_1lai 2
69 ub+1.0 75 81 75 91 parsed_1lai 2
70 nc 76 81 76 91 parsed_1lai 2
71 nc 77 81 77 91 parsed_1lai 2
72 nc 78 81 78 91 parsed_1lai 2
73 ub+1.0 79 81 79 91 parsed_1lai 2
74 nc 80 81 80 91 parsed_1lai 2
75 ub=5.1 81 81 81 91 parsed_1lai 2
76 ub+1.0 82 81 82 91 parsed_1lai 2
77 nc 83 81 83 91 parsed_1lai 2
78 ub+0.5 84 81 84 91 parsed_1lai 2
79 ub+0.6 85 81 85 91 parsed_1lai 2
80 nc 86 81 86 91 parsed_1lai 2
81 nc 87 81 87 91 parsed_1lai 2
82 nc 88 81 88 91 parsed_1lai 2
83 nc 89 81 89 91 parsed_1lai 2
84 nc 90 81 90 91 parsed_1lai 2
85 nc 91 81 91 91 parsed_1lai 2
86 ub+1.0 92 81 92 91 parsed_1lai 2
87 nc 93 81 93 91 parsed_1lai 2
88 ub=5.7 94 81 94 91 parsed_1lai 2
89 nc 95 81 95 91 parsed_1lai 2
90 ub+0.5 96 81 96 91 parsed_1lai 2
91 ub+1.0 97 81 97 91 parsed_1lai 2
92 ub+0.5 98 81 98 91 parsed_1lai 2
93 ub+1.0 99 81 99 91 parsed_1lai 2
94 ub+1.0 100 81 100 91 parsed_1lai 2
95 nc 101 81 101 91 parsed_1lai 2
96 ub+0.5 102 81 102 91 parsed_1lai 2
97 nc 103 81 103 91 parsed_1lai 2
98
;
ub+0.5
assign ( resid 18 and name H8 )( resid 17 and name H4' ) 4.61 0.83 0.83 ! OFF
;
104 81 105 93 parsed_1lai 2
99 ub+1.0 106 81 106 91 parsed_1lai 2
100 nc 108 81 108 91 parsed_1lai 2
101 nc 109 81 109 91 parsed_1lai 2
102 nc 110 81 110 91 parsed_1lai 2
103
;
lb=2.5
assign ( resid 19 and name H8 )( resid 18 and name H4' ) 4.84 0.90 0.90 ! OFF
;
111 81 112 93 parsed_1lai 2
104 ub+1.0 113 81 113 91 parsed_1lai 2
105 nc 114 81 114 91 parsed_1lai 2
106 nc 115 81 115 91 parsed_1lai 2
107 ub+0.5 116 81 116 91 parsed_1lai 2
108 nc 117 81 117 91 parsed_1lai 2
109 nc 118 81 118 91 parsed_1lai 2
110 ub+1.0 119 81 119 91 parsed_1lai 2
111 ub+0.4 120 81 120 91 parsed_1lai 2
112 nc 121 81 121 91 parsed_1lai 2
113 nc 122 81 122 91 parsed_1lai 2
114 ub+1.2 123 81 123 91 parsed_1lai 2
115 ub+0.5 125 81 125 91 parsed_1lai 2
116 ub+1.0 126 81 126 91 parsed_1lai 2
117 nc 127 81 127 91 parsed_1lai 2
118 nc 128 81 128 91 parsed_1lai 2
119 nc 129 81 129 91 parsed_1lai 2
120 nc 130 81 130 91 parsed_1lai 2
121 nc 131 81 131 91 parsed_1lai 2
122 nc 132 81 132 91 parsed_1lai 2
123 nc 133 81 133 91 parsed_1lai 2
124 ub+0.5 134 81 134 91 parsed_1lai 2
125 lb=2.5 135 81 135 91 parsed_1lai 2
126 nc 136 81 136 91 parsed_1lai 2
127 nc 137 81 137 91 parsed_1lai 2
128 ub+1.0 138 81 138 91 parsed_1lai 2
129 nc 139 81 139 91 parsed_1lai 2
130 ub+1 140 81 140 91 parsed_1lai 2
131 nc 141 81 141 91 parsed_1lai 2
132 ub+0.7 142 81 142 91 parsed_1lai 2
133 nc 143 81 143 91 parsed_1lai 2
134 ub+0.5 144 81 144 91 parsed_1lai 2
135 nc 145 81 145 91 parsed_1lai 2
136 ub+0.5 146 81 146 91 parsed_1lai 2
137 lb=2.5 147 81 147 91 parsed_1lai 2
138 nc 148 81 148 91 parsed_1lai 2
139
;
ub=5.1
assign ( resid 23 and name H1' )( resid 24 and name H5'' ) 3.83 1.26 1.26 ! OFF
assign ( resid 24 and name H1' )( resid 25 and name H2' ) 3.54 0.67 0.67 ! OFF
;
149 81 151 93 parsed_1lai 2
140 ub+0.7 152 81 152 91 parsed_1lai 2
141 nc 153 81 153 91 parsed_1lai 2
142 nc 154 81 154 91 parsed_1lai 2
143 nc 155 81 155 91 parsed_1lai 2
144 nc 156 81 156 91 parsed_1lai 2
145 nc 157 81 157 91 parsed_1lai 2
146 lb=2.5 158 81 158 91 parsed_1lai 2
147 nc 159 81 159 91 parsed_1lai 2
148 nc 160 81 160 91 parsed_1lai 2
149 ub 161 81 161 91 parsed_1lai 2
150 nc 162 81 162 91 parsed_1lai 2
151
;
ub+1.0
assign ( resid 26 and name H2'' )( resid 26 and name H3' ) 0.00 0.00 0.00 ! OFF
;
163 81 164 93 parsed_1lai 2
152 nc 165 81 165 91 parsed_1lai 2
153 nc 166 81 166 91 parsed_1lai 2
stop_
save_
save_MR_file_comment_6
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1lai
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 6
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on echo=on end
! Class 3 Distance Restraints
set message=off echo=off end
;
save_
save_CNS/XPLOR_distance_constraints_7
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lai
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 7
_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_1lai 3
2 1 . . . parsed_1lai 3
3 1 . . . parsed_1lai 3
4 1 . . . parsed_1lai 3
5 1 . . . parsed_1lai 3
6 1 . . . parsed_1lai 3
7 1 . . . parsed_1lai 3
8 1 . . . parsed_1lai 3
9 1 . . . parsed_1lai 3
10 1 . . . parsed_1lai 3
11 1 . . . parsed_1lai 3
12 1 . . . parsed_1lai 3
13 1 . . . parsed_1lai 3
14 1 . . . parsed_1lai 3
15 1 . . . parsed_1lai 3
16 1 . . . parsed_1lai 3
17 1 . . . parsed_1lai 3
18 1 . . . parsed_1lai 3
19 1 . . . parsed_1lai 3
20 1 . . . parsed_1lai 3
21 1 . . . parsed_1lai 3
22 1 . . . parsed_1lai 3
23 1 . . . parsed_1lai 3
24 1 . . . parsed_1lai 3
25 1 . . . parsed_1lai 3
26 1 . . . parsed_1lai 3
27 1 . . . parsed_1lai 3
28 1 . . . parsed_1lai 3
29 1 . . . parsed_1lai 3
30 1 . . . parsed_1lai 3
31 1 . . . parsed_1lai 3
32 1 . . . parsed_1lai 3
33 1 . . . parsed_1lai 3
34 1 . . . parsed_1lai 3
35 1 . . . parsed_1lai 3
36 1 . . . parsed_1lai 3
37 1 . . . parsed_1lai 3
38 1 . . . parsed_1lai 3
39 1 . . . parsed_1lai 3
40 1 . . . parsed_1lai 3
41 1 . . . parsed_1lai 3
42 1 . . . parsed_1lai 3
43 1 . . . parsed_1lai 3
44 1 . . . parsed_1lai 3
45 1 . . . parsed_1lai 3
46 1 . . . parsed_1lai 3
47 1 . . . parsed_1lai 3
48 1 . . . parsed_1lai 3
49 1 . . . parsed_1lai 3
50 1 . . . parsed_1lai 3
51 1 . . . parsed_1lai 3
52 1 . . . parsed_1lai 3
53 1 . . . parsed_1lai 3
54 1 . . . parsed_1lai 3
55 1 . . . parsed_1lai 3
56 1 . . . parsed_1lai 3
57 1 . . . parsed_1lai 3
58 1 . . . parsed_1lai 3
59 1 . . . parsed_1lai 3
60 1 . . . parsed_1lai 3
61 1 . . . parsed_1lai 3
62 1 . . . parsed_1lai 3
63 1 . . . parsed_1lai 3
64 1 . . . parsed_1lai 3
65 1 . . . parsed_1lai 3
66 1 . . . parsed_1lai 3
67 1 . . . parsed_1lai 3
68 1 . . . parsed_1lai 3
69 1 . . . parsed_1lai 3
70 1 . . . parsed_1lai 3
71 1 . . . parsed_1lai 3
72 1 . . . parsed_1lai 3
73 1 . . . parsed_1lai 3
74 1 . . . parsed_1lai 3
75 1 . . . parsed_1lai 3
76 1 . . . parsed_1lai 3
77 1 . . . parsed_1lai 3
78 1 . . . parsed_1lai 3
79 1 . . . parsed_1lai 3
80 1 . . . parsed_1lai 3
81 1 . . . parsed_1lai 3
82 1 . . . parsed_1lai 3
83 1 . . . parsed_1lai 3
84 1 . . . parsed_1lai 3
85 1 . . . parsed_1lai 3
86 1 . . . parsed_1lai 3
87 1 . . . parsed_1lai 3
88 1 . . . parsed_1lai 3
89 1 . . . parsed_1lai 3
90 1 . . . parsed_1lai 3
91 1 . . . parsed_1lai 3
92 1 . . . parsed_1lai 3
93 1 . . . parsed_1lai 3
94 1 . . . parsed_1lai 3
95 1 . . . parsed_1lai 3
96 1 . . . parsed_1lai 3
97 1 . . . parsed_1lai 3
98 1 . . . parsed_1lai 3
99 1 . . . parsed_1lai 3
100 1 . . . parsed_1lai 3
101 1 . . . parsed_1lai 3
102 1 . . . parsed_1lai 3
103 1 . . . parsed_1lai 3
104 1 . . . parsed_1lai 3
105 1 . . . parsed_1lai 3
106 1 . . . parsed_1lai 3
107 1 . . . parsed_1lai 3
108 1 . . . parsed_1lai 3
109 1 . . . parsed_1lai 3
110 1 . . . parsed_1lai 3
111 1 . . . parsed_1lai 3
112 1 . . . parsed_1lai 3
113 1 . . . parsed_1lai 3
114 1 . . . parsed_1lai 3
115 1 . . . parsed_1lai 3
116 1 . . . parsed_1lai 3
117 1 . . . parsed_1lai 3
118 1 . . . parsed_1lai 3
119 1 . . . parsed_1lai 3
120 1 . . . parsed_1lai 3
121 1 . . . parsed_1lai 3
122 1 . . . parsed_1lai 3
123 1 . . . parsed_1lai 3
124 1 . . . parsed_1lai 3
125 1 . . . parsed_1lai 3
126 1 . . . parsed_1lai 3
127 1 . . . parsed_1lai 3
128 1 . . . parsed_1lai 3
129 1 . . . parsed_1lai 3
130 1 . . . parsed_1lai 3
131 1 . . . parsed_1lai 3
132 1 . . . parsed_1lai 3
133 1 . . . parsed_1lai 3
134 1 . . . parsed_1lai 3
135 1 . . . parsed_1lai 3
136 1 . . . parsed_1lai 3
137 1 . . . parsed_1lai 3
138 1 . . . parsed_1lai 3
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 . H1' parsed_1lai 3
1 1 2 . . . . . . . . . 1 . H2' parsed_1lai 3
2 1 1 . . . . . . . . . 1 . H1' parsed_1lai 3
2 1 2 . . . . . . . . . 1 . H2'' parsed_1lai 3
3 1 1 . . . . . . . . . 1 . H1' parsed_1lai 3
3 1 2 . . . . . . . . . 1 . H4' parsed_1lai 3
4 1 1 . . . . . . . . . 1 . H3' parsed_1lai 3
4 1 2 . . . . . . . . . 1 . H4' parsed_1lai 3
5 1 1 . . . . . . . . . 2 . H8 parsed_1lai 3
5 1 2 . . . . . . . . . 1 . H2'' parsed_1lai 3
6 1 1 . . . . . . . . . 2 . H1' parsed_1lai 3
6 1 2 . . . . . . . . . 2 . H4' parsed_1lai 3
7 1 1 . . . . . . . . . 2 . H1' parsed_1lai 3
7 1 2 . . . . . . . . . 2 . H5' parsed_1lai 3
8 1 1 . . . . . . . . . 2 . H1' parsed_1lai 3
8 1 2 . . . . . . . . . 2 . H5'' parsed_1lai 3
9 1 1 . . . . . . . . . 3 . H6 parsed_1lai 3
9 1 2 . . . . . . . . . 3 . H1' parsed_1lai 3
10 1 1 . . . . . . . . . 3 . H6 parsed_1lai 3
10 1 2 . . . . . . . . . 2 . H2' parsed_1lai 3
11 1 1 . . . . . . . . . 3 . H5 parsed_1lai 3
11 1 2 . . . . . . . . . 2 . H2' parsed_1lai 3
12 1 1 . . . . . . . . . 3 . H6 parsed_1lai 3
12 1 2 . . . . . . . . . 3 . H2'' parsed_1lai 3
13 1 1 . . . . . . . . . 3 . H6 parsed_1lai 3
13 1 2 . . . . . . . . . 2 . H2'' parsed_1lai 3
14 1 1 . . . . . . . . . 3 . H6 parsed_1lai 3
14 1 2 . . . . . . . . . 3 . H3' parsed_1lai 3
15 1 1 . . . . . . . . . 3 . H6 parsed_1lai 3
15 1 2 . . . . . . . . . 3 . H4' parsed_1lai 3
16 1 1 . . . . . . . . . 3 . H2' parsed_1lai 3
16 1 2 . . . . . . . . . 3 . H5 parsed_1lai 3
17 1 1 . . . . . . . . . 3 . H5' parsed_1lai 3
17 1 1 . . . . . . . . . 3 . H5'' parsed_1lai 3
17 1 2 . . . . . . . . . 3 . H6 parsed_1lai 3
18 1 1 . . . . . . . . . 4 . H8 parsed_1lai 3
18 1 2 . . . . . . . . . 4 . H2' parsed_1lai 3
19 1 1 . . . . . . . . . 4 . H1' parsed_1lai 3
19 1 2 . . . . . . . . . 4 . H2' parsed_1lai 3
20 1 1 . . . . . . . . . 4 . H8 parsed_1lai 3
20 1 2 . . . . . . . . . 4 . H2'' parsed_1lai 3
21 1 1 . . . . . . . . . 4 . H1' parsed_1lai 3
21 1 2 . . . . . . . . . 4 . H2'' parsed_1lai 3
22 1 1 . . . . . . . . . 5 . H1' parsed_1lai 3
22 1 2 . . . . . . . . . 5 . H2' parsed_1lai 3
23 1 1 . . . . . . . . . 5 . H8 parsed_1lai 3
23 1 2 . . . . . . . . . 5 . H2'' parsed_1lai 3
24 1 1 . . . . . . . . . 5 . H8 parsed_1lai 3
24 1 2 . . . . . . . . . 4 . H2'' parsed_1lai 3
25 1 1 . . . . . . . . . 5 . H2' parsed_1lai 3
25 1 2 . . . . . . . . . 5 . H3' parsed_1lai 3
26 1 1 . . . . . . . . . 5 . H2'' parsed_1lai 3
26 1 2 . . . . . . . . . 5 . H3' parsed_1lai 3
27 1 1 . . . . . . . . . 6 . H6 parsed_1lai 3
27 1 2 . . . . . . . . . 6 . H3' parsed_1lai 3
28 1 1 . . . . . . . . . 6 . H6 parsed_1lai 3
28 1 2 . . . . . . . . . 5 . H3' parsed_1lai 3
29 1 1 . . . . . . . . . 6 . H5# parsed_1lai 3
29 1 2 . . . . . . . . . 5 . H3' parsed_1lai 3
30 1 1 . . . . . . . . . 6 . H5# parsed_1lai 3
30 1 2 . . . . . . . . . 6 . H3' parsed_1lai 3
31 1 1 . . . . . . . . . 6 . H2' parsed_1lai 3
31 1 2 . . . . . . . . . 6 . H3' parsed_1lai 3
32 1 1 . . . . . . . . . 6 . H2'' parsed_1lai 3
32 1 2 . . . . . . . . . 6 . H3' parsed_1lai 3
33 1 1 . . . . . . . . . 6 . H2'' parsed_1lai 3
33 1 2 . . . . . . . . . 6 . H4' parsed_1lai 3
34 1 1 . . . . . . . . . 7 . H8 parsed_1lai 3
34 1 2 . . . . . . . . . 6 . H2'' parsed_1lai 3
35 1 1 . . . . . . . . . 7 . H2' parsed_1lai 3
35 1 2 . . . . . . . . . 7 . H3' parsed_1lai 3
36 1 1 . . . . . . . . . 7 . H2'' parsed_1lai 3
36 1 2 . . . . . . . . . 7 . H3' parsed_1lai 3
37 1 1 . . . . . . . . . 7 . H3' parsed_1lai 3
37 1 2 . . . . . . . . . 7 . H4' parsed_1lai 3
38 1 1 . . . . . . . . . 7 . H5' parsed_1lai 3
38 1 1 . . . . . . . . . 7 . H5'' parsed_1lai 3
38 1 2 . . . . . . . . . 7 . H8 parsed_1lai 3
39 1 1 . . . . . . . . . 8 . H5# parsed_1lai 3
39 1 2 . . . . . . . . . 8 . H2' parsed_1lai 3
40 1 1 . . . . . . . . . 8 . H6 parsed_1lai 3
40 1 2 . . . . . . . . . 8 . H2'' parsed_1lai 3
41 1 1 . . . . . . . . . 8 . H6 parsed_1lai 3
41 1 2 . . . . . . . . . 7 . H2'' parsed_1lai 3
42 1 1 . . . . . . . . . 8 . H6 parsed_1lai 3
42 1 2 . . . . . . . . . 8 . H3' parsed_1lai 3
43 1 1 . . . . . . . . . 8 . H2' parsed_1lai 3
43 1 2 . . . . . . . . . 8 . H3' parsed_1lai 3
44 1 1 . . . . . . . . . 8 . H2'' parsed_1lai 3
44 1 2 . . . . . . . . . 8 . H3' parsed_1lai 3
45 1 1 . . . . . . . . . 8 . H2'' parsed_1lai 3
45 1 2 . . . . . . . . . 8 . H4' parsed_1lai 3
46 1 1 . . . . . . . . . 8 . H6 parsed_1lai 3
46 1 2 . . . . . . . . . 7 . H8 parsed_1lai 3
47 1 1 . . . . . . . . . 9 . H1' parsed_1lai 3
47 1 2 . . . . . . . . . 9 . H2'' parsed_1lai 3
48 1 1 . . . . . . . . . 9 . H6 parsed_1lai 3
48 1 2 . . . . . . . . . 9 . H4' parsed_1lai 3
49 1 1 . . . . . . . . . 9 . H5' parsed_1lai 3
49 1 1 . . . . . . . . . 9 . H5'' parsed_1lai 3
49 1 2 . . . . . . . . . 9 . H6 parsed_1lai 3
50 1 1 . . . . . . . . . 10 . H6 parsed_1lai 3
50 1 2 . . . . . . . . . 9 . H2' parsed_1lai 3
51 1 1 . . . . . . . . . 10 . H1' parsed_1lai 3
51 1 2 . . . . . . . . . 10 . H2' parsed_1lai 3
52 1 1 . . . . . . . . . 10 . H6 parsed_1lai 3
52 1 2 . . . . . . . . . 9 . H2'' parsed_1lai 3
53 1 1 . . . . . . . . . 10 . H6 parsed_1lai 3
53 1 2 . . . . . . . . . 10 . H4' parsed_1lai 3
54 1 1 . . . . . . . . . 10 . H2' parsed_1lai 3
54 1 2 . . . . . . . . . 10 . H5 parsed_1lai 3
55 1 1 . . . . . . . . . 11 . H8 parsed_1lai 3
55 1 2 . . . . . . . . . 11 . H1' parsed_1lai 3
56 1 1 . . . . . . . . . 11 . H8 parsed_1lai 3
56 1 2 . . . . . . . . . 10 . H1' parsed_1lai 3
57 1 1 . . . . . . . . . 11 . H8 parsed_1lai 3
57 1 2 . . . . . . . . . 10 . H2' parsed_1lai 3
58 1 1 . . . . . . . . . 11 . H8 parsed_1lai 3
58 1 2 . . . . . . . . . 10 . H2'' parsed_1lai 3
59 1 1 . . . . . . . . . 11 . H8 parsed_1lai 3
59 1 2 . . . . . . . . . 11 . H3' parsed_1lai 3
60 1 1 . . . . . . . . . 11 . H8 parsed_1lai 3
60 1 2 . . . . . . . . . 11 . H4' parsed_1lai 3
61 1 1 . . . . . . . . . 11 . H8 parsed_1lai 3
61 1 2 . . . . . . . . . 12 . H5 parsed_1lai 3
62 1 1 . . . . . . . . . 11 . H8 parsed_1lai 3
62 1 2 . . . . . . . . . 11 . H5' parsed_1lai 3
63 1 1 . . . . . . . . . 11 . H1' parsed_1lai 3
63 1 2 . . . . . . . . . 11 . H5' parsed_1lai 3
64 1 1 . . . . . . . . . 11 . H8 parsed_1lai 3
64 1 2 . . . . . . . . . 11 . H5'' parsed_1lai 3
65 1 1 . . . . . . . . . 11 . H1' parsed_1lai 3
65 1 2 . . . . . . . . . 11 . H5'' parsed_1lai 3
66 1 1 . . . . . . . . . 12 . H1' parsed_1lai 3
66 1 2 . . . . . . . . . 12 . H2' parsed_1lai 3
67 1 1 . . . . . . . . . 12 . H6 parsed_1lai 3
67 1 2 . . . . . . . . . 12 . H2'' parsed_1lai 3
68 1 1 . . . . . . . . . 12 . H1' parsed_1lai 3
68 1 2 . . . . . . . . . 12 . H2'' parsed_1lai 3
69 1 1 . . . . . . . . . 12 . H6 parsed_1lai 3
69 1 2 . . . . . . . . . 12 . H4' parsed_1lai 3
70 1 1 . . . . . . . . . 12 . H6 parsed_1lai 3
70 1 2 . . . . . . . . . 12 . H5' parsed_1lai 3
71 1 1 . . . . . . . . . 12 . H6 parsed_1lai 3
71 1 2 . . . . . . . . . 12 . H5'' parsed_1lai 3
72 1 1 . . . . . . . . . 12 . H6 parsed_1lai 3
72 1 2 . . . . . . . . . 11 . H8 parsed_1lai 3
73 1 1 . . . . . . . . . 13 . H8 parsed_1lai 3
73 1 2 . . . . . . . . . 13 . H2'' parsed_1lai 3
74 1 1 . . . . . . . . . 13 . H5' parsed_1lai 3
74 1 1 . . . . . . . . . 13 . H5'' parsed_1lai 3
74 1 2 . . . . . . . . . 13 . H8 parsed_1lai 3
75 1 1 . . . . . . . . . 13 . H5' parsed_1lai 3
75 1 1 . . . . . . . . . 13 . H5'' parsed_1lai 3
75 1 2 . . . . . . . . . 13 . H3' parsed_1lai 3
76 1 1 . . . . . . . . . 14 . H1' parsed_1lai 3
76 1 2 . . . . . . . . . 14 . H2' parsed_1lai 3
77 1 1 . . . . . . . . . 14 . H1' parsed_1lai 3
77 1 2 . . . . . . . . . 14 . H2'' parsed_1lai 3
78 1 1 . . . . . . . . . 14 . H1' parsed_1lai 3
78 1 2 . . . . . . . . . 14 . H4' parsed_1lai 3
79 1 1 . . . . . . . . . 14 . H3' parsed_1lai 3
79 1 2 . . . . . . . . . 14 . H4' parsed_1lai 3
80 1 1 . . . . . . . . . 15 . H8 parsed_1lai 3
80 1 2 . . . . . . . . . 14 . H2'' parsed_1lai 3
81 1 1 . . . . . . . . . 15 . H1' parsed_1lai 3
81 1 2 . . . . . . . . . 15 . H4' parsed_1lai 3
82 1 1 . . . . . . . . . 15 . H1' parsed_1lai 3
82 1 2 . . . . . . . . . 15 . H5' parsed_1lai 3
83 1 1 . . . . . . . . . 15 . H1' parsed_1lai 3
83 1 2 . . . . . . . . . 15 . H5'' parsed_1lai 3
84 1 1 . . . . . . . . . 16 . H6 parsed_1lai 3
84 1 2 . . . . . . . . . 16 . H1' parsed_1lai 3
85 1 1 . . . . . . . . . 16 . H6 parsed_1lai 3
85 1 2 . . . . . . . . . 15 . H2' parsed_1lai 3
86 1 1 . . . . . . . . . 16 . H5 parsed_1lai 3
86 1 2 . . . . . . . . . 15 . H2' parsed_1lai 3
87 1 1 . . . . . . . . . 16 . H6 parsed_1lai 3
87 1 2 . . . . . . . . . 16 . H2'' parsed_1lai 3
88 1 1 . . . . . . . . . 16 . H6 parsed_1lai 3
88 1 2 . . . . . . . . . 15 . H2'' parsed_1lai 3
89 1 1 . . . . . . . . . 16 . H6 parsed_1lai 3
89 1 2 . . . . . . . . . 16 . H4' parsed_1lai 3
90 1 1 . . . . . . . . . 16 . H1' parsed_1lai 3
90 1 2 . . . . . . . . . 16 . H4' parsed_1lai 3
91 1 1 . . . . . . . . . 16 . H2' parsed_1lai 3
91 1 2 . . . . . . . . . 16 . H5 parsed_1lai 3
92 1 1 . . . . . . . . . 16 . H5' parsed_1lai 3
92 1 1 . . . . . . . . . 16 . H5'' parsed_1lai 3
92 1 2 . . . . . . . . . 16 . H6 parsed_1lai 3
93 1 1 . . . . . . . . . 16 . H5' parsed_1lai 3
93 1 1 . . . . . . . . . 16 . H5'' parsed_1lai 3
93 1 2 . . . . . . . . . 16 . H1' parsed_1lai 3
94 1 1 . . . . . . . . . 17 . H1' parsed_1lai 3
94 1 2 . . . . . . . . . 17 . H2' parsed_1lai 3
95 1 1 . . . . . . . . . 17 . H1' parsed_1lai 3
95 1 2 . . . . . . . . . 17 . H2'' parsed_1lai 3
96 1 1 . . . . . . . . . 17 . H8 parsed_1lai 3
96 1 2 . . . . . . . . . 16 . H6 parsed_1lai 3
97 1 1 . . . . . . . . . 18 . H8 parsed_1lai 3
97 1 2 . . . . . . . . . 18 . H1' parsed_1lai 3
98 1 1 . . . . . . . . . 18 . H8 parsed_1lai 3
98 1 2 . . . . . . . . . 17 . H1' parsed_1lai 3
99 1 1 . . . . . . . . . 18 . H1' parsed_1lai 3
99 1 2 . . . . . . . . . 18 . H2' parsed_1lai 3
100 1 1 . . . . . . . . . 18 . H8 parsed_1lai 3
100 1 2 . . . . . . . . . 18 . H3' parsed_1lai 3
101 1 1 . . . . . . . . . 19 . H2'' parsed_1lai 3
101 1 2 . . . . . . . . . 19 . H3' parsed_1lai 3
102 1 1 . . . . . . . . . 19 . H3' parsed_1lai 3
102 1 2 . . . . . . . . . 19 . H4' parsed_1lai 3
103 1 1 . . . . . . . . . 19 . H8 parsed_1lai 3
103 1 2 . . . . . . . . . 19 . H5' parsed_1lai 3
104 1 1 . . . . . . . . . 19 . H8 parsed_1lai 3
104 1 2 . . . . . . . . . 19 . H5'' parsed_1lai 3
105 1 1 . . . . . . . . . 20 . H5 parsed_1lai 3
105 1 2 . . . . . . . . . 19 . H1' parsed_1lai 3
106 1 1 . . . . . . . . . 20 . H1' parsed_1lai 3
106 1 2 . . . . . . . . . 20 . H3' parsed_1lai 3
107 1 1 . . . . . . . . . 20 . H2' parsed_1lai 3
107 1 2 . . . . . . . . . 20 . H3' parsed_1lai 3
108 1 1 . . . . . . . . . 20 . H5' parsed_1lai 3
108 1 1 . . . . . . . . . 20 . H5'' parsed_1lai 3
108 1 2 . . . . . . . . . 20 . H3' parsed_1lai 3
109 1 1 . . . . . . . . . 21 . H2'' parsed_1lai 3
109 1 2 . . . . . . . . . 21 . H3' parsed_1lai 3
110 1 1 . . . . . . . . . 21 . H2' parsed_1lai 3
110 1 2 . . . . . . . . . 21 . H4' parsed_1lai 3
111 1 1 . . . . . . . . . 22 . H6 parsed_1lai 3
111 1 2 . . . . . . . . . 21 . H2' parsed_1lai 3
112 1 1 . . . . . . . . . 22 . H2' parsed_1lai 3
112 1 2 . . . . . . . . . 22 . H3' parsed_1lai 3
113 1 1 . . . . . . . . . 22 . H5' parsed_1lai 3
113 1 1 . . . . . . . . . 22 . H5'' parsed_1lai 3
113 1 2 . . . . . . . . . 22 . H6 parsed_1lai 3
114 1 1 . . . . . . . . . 23 . H1' parsed_1lai 3
114 1 2 . . . . . . . . . 23 . H2' parsed_1lai 3
115 1 1 . . . . . . . . . 23 . H5 parsed_1lai 3
115 1 2 . . . . . . . . . 22 . H2'' parsed_1lai 3
116 1 1 . . . . . . . . . 23 . H6 parsed_1lai 3
116 1 2 . . . . . . . . . 23 . H4' parsed_1lai 3
117 1 1 . . . . . . . . . 24 . H8 parsed_1lai 3
117 1 2 . . . . . . . . . 24 . H1' parsed_1lai 3
118 1 1 . . . . . . . . . 24 . H8 parsed_1lai 3
118 1 2 . . . . . . . . . 23 . H1' parsed_1lai 3
119 1 1 . . . . . . . . . 24 . H8 parsed_1lai 3
119 1 2 . . . . . . . . . 23 . H2' parsed_1lai 3
120 1 1 . . . . . . . . . 24 . H8 parsed_1lai 3
120 1 2 . . . . . . . . . 23 . H2'' parsed_1lai 3
121 1 1 . . . . . . . . . 24 . H8 parsed_1lai 3
121 1 2 . . . . . . . . . 24 . H3' parsed_1lai 3
122 1 1 . . . . . . . . . 24 . H8 parsed_1lai 3
122 1 2 . . . . . . . . . 24 . H4' parsed_1lai 3
123 1 1 . . . . . . . . . 24 . H1' parsed_1lai 3
123 1 2 . . . . . . . . . 24 . H4' parsed_1lai 3
124 1 1 . . . . . . . . . 24 . H8 parsed_1lai 3
124 1 2 . . . . . . . . . 25 . H5 parsed_1lai 3
125 1 1 . . . . . . . . . 24 . H8 parsed_1lai 3
125 1 2 . . . . . . . . . 24 . H5' parsed_1lai 3
126 1 1 . . . . . . . . . 24 . H1' parsed_1lai 3
126 1 2 . . . . . . . . . 24 . H5' parsed_1lai 3
127 1 1 . . . . . . . . . 24 . H8 parsed_1lai 3
127 1 2 . . . . . . . . . 24 . H5'' parsed_1lai 3
128 1 1 . . . . . . . . . 24 . H1' parsed_1lai 3
128 1 2 . . . . . . . . . 24 . H5'' parsed_1lai 3
129 1 1 . . . . . . . . . 25 . H1' parsed_1lai 3
129 1 2 . . . . . . . . . 25 . H2' parsed_1lai 3
130 1 1 . . . . . . . . . 25 . H6 parsed_1lai 3
130 1 2 . . . . . . . . . 25 . H2'' parsed_1lai 3
131 1 1 . . . . . . . . . 25 . H1' parsed_1lai 3
131 1 2 . . . . . . . . . 25 . H2'' parsed_1lai 3
132 1 1 . . . . . . . . . 25 . H6 parsed_1lai 3
132 1 2 . . . . . . . . . 25 . H4' parsed_1lai 3
133 1 1 . . . . . . . . . 25 . H6 parsed_1lai 3
133 1 2 . . . . . . . . . 25 . H5' parsed_1lai 3
134 1 1 . . . . . . . . . 25 . H6 parsed_1lai 3
134 1 2 . . . . . . . . . 25 . H5'' parsed_1lai 3
135 1 1 . . . . . . . . . 25 . H6 parsed_1lai 3
135 1 2 . . . . . . . . . 24 . H8 parsed_1lai 3
136 1 1 . . . . . . . . . 26 . H8 parsed_1lai 3
136 1 2 . . . . . . . . . 26 . H2'' parsed_1lai 3
137 1 1 . . . . . . . . . 26 . H5' parsed_1lai 3
137 1 1 . . . . . . . . . 26 . H5'' parsed_1lai 3
137 1 2 . . . . . . . . . 26 . H8 parsed_1lai 3
138 1 1 . . . . . . . . . 26 . H5' parsed_1lai 3
138 1 1 . . . . . . . . . 26 . H5'' parsed_1lai 3
138 1 2 . . . . . . . . . 26 . H3' parsed_1lai 3
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 . . . . . 2.38 1.81 2.96 parsed_1lai 3
2 1 . . . . . 2.48 2.23 2.73 parsed_1lai 3
3 1 . . . . . 2.85 2.06 3.64 parsed_1lai 3
4 1 . . . . . 2.50 2.14 2.87 parsed_1lai 3
5 1 . . . . . 2.76 2.30 3.22 parsed_1lai 3
6 1 . . . . . 3.00 2.23 3.76 parsed_1lai 3
7 1 . . . . . 3.55 2.22 4.88 parsed_1lai 3
8 1 . . . . . 3.86 2.33 5.39 parsed_1lai 3
9 1 . . . . . 3.01 2.15 3.87 parsed_1lai 3
10 1 . . . . . 3.67 3.40 3.94 parsed_1lai 3
11 1 . . . . . 2.91 2.22 3.60 parsed_1lai 3
12 1 . . . . . 3.25 2.42 4.08 parsed_1lai 3
13 1 . . . . . 2.55 2.30 2.80 parsed_1lai 3
14 1 . . . . . 3.64 2.62 4.66 parsed_1lai 3
15 1 . . . . . 3.97 2.81 5.14 parsed_1lai 3
16 1 . . . . . 2.98 1.68 4.29 parsed_1lai 3
17 1 . . . . . 3.86 2.72 5.00 parsed_1lai 3
18 1 . . . . . 2.39 2.09 2.69 parsed_1lai 3
19 1 . . . . . 2.98 2.44 3.52 parsed_1lai 3
20 1 . . . . . 3.01 2.19 3.84 parsed_1lai 3
21 1 . . . . . 2.34 2.11 2.58 parsed_1lai 3
22 1 . . . . . 2.60 2.13 3.07 parsed_1lai 3
23 1 . . . . . 2.96 1.98 3.95 parsed_1lai 3
24 1 . . . . . 2.76 2.30 3.22 parsed_1lai 3
25 1 . . . . . 2.73 2.11 3.35 parsed_1lai 3
26 1 . . . . . 2.96 2.46 3.47 parsed_1lai 3
27 1 . . . . . 3.15 1.91 4.39 parsed_1lai 3
28 1 . . . . . 3.83 2.68 4.98 parsed_1lai 3
29 1 . . . . . 3.94 2.75 5.13 parsed_1lai 3
30 1 . . . . . 6.11 5.38 6.83 parsed_1lai 3
31 1 . . . . . 2.33 2.08 2.58 parsed_1lai 3
32 1 . . . . . 2.92 2.44 3.40 parsed_1lai 3
33 1 . . . . . 2.92 1.93 3.92 parsed_1lai 3
34 1 . . . . . 2.79 2.29 3.29 parsed_1lai 3
35 1 . . . . . 2.40 2.17 2.63 parsed_1lai 3
36 1 . . . . . 2.96 2.31 3.61 parsed_1lai 3
37 1 . . . . . 2.48 2.06 2.90 parsed_1lai 3
38 1 . . . . . 3.92 2.83 5.01 parsed_1lai 3
39 1 . . . . . 3.78 2.58 4.98 parsed_1lai 3
40 1 . . . . . 3.17 2.25 4.09 parsed_1lai 3
41 1 . . . . . 2.60 2.29 2.91 parsed_1lai 3
42 1 . . . . . 3.29 2.15 4.43 parsed_1lai 3
43 1 . . . . . 2.77 2.33 3.21 parsed_1lai 3
44 1 . . . . . 3.17 2.57 3.77 parsed_1lai 3
45 1 . . . . . 3.14 2.15 4.13 parsed_1lai 3
46 1 . . . . . 5.00 4.60 5.40 parsed_1lai 3
47 1 . . . . . 2.26 2.08 2.44 parsed_1lai 3
48 1 . . . . . 4.02 2.99 5.04 parsed_1lai 3
49 1 . . . . . 3.79 2.60 4.98 parsed_1lai 3
50 1 . . . . . 3.64 3.40 3.88 parsed_1lai 3
51 1 . . . . . 2.92 2.41 3.44 parsed_1lai 3
52 1 . . . . . 2.82 2.30 3.34 parsed_1lai 3
53 1 . . . . . 4.07 3.23 4.91 parsed_1lai 3
54 1 . . . . . 3.06 1.74 4.38 parsed_1lai 3
55 1 . . . . . 2.92 1.84 4.00 parsed_1lai 3
56 1 . . . . . 3.08 2.43 3.74 parsed_1lai 3
57 1 . . . . . 4.21 3.40 5.03 parsed_1lai 3
58 1 . . . . . 2.92 2.30 3.53 parsed_1lai 3
59 1 . . . . . 3.46 2.42 4.50 parsed_1lai 3
60 1 . . . . . 4.37 3.56 5.18 parsed_1lai 3
61 1 . . . . . 3.47 2.85 4.09 parsed_1lai 3
62 1 . . . . . 3.69 2.99 4.39 parsed_1lai 3
63 1 . . . . . 3.62 2.23 5.01 parsed_1lai 3
64 1 . . . . . 3.60 2.62 4.58 parsed_1lai 3
65 1 . . . . . 3.92 2.36 5.49 parsed_1lai 3
66 1 . . . . . 2.62 2.23 3.00 parsed_1lai 3
67 1 . . . . . 3.01 2.39 3.63 parsed_1lai 3
68 1 . . . . . 2.06 1.96 2.16 parsed_1lai 3
69 1 . . . . . 4.25 3.17 5.33 parsed_1lai 3
70 1 . . . . . 3.35 2.62 4.08 parsed_1lai 3
71 1 . . . . . 3.62 3.00 4.24 parsed_1lai 3
72 1 . . . . . 5.00 4.60 5.40 parsed_1lai 3
73 1 . . . . . 2.91 1.90 3.91 parsed_1lai 3
74 1 . . . . . 3.83 2.56 5.09 parsed_1lai 3
75 1 . . . . . 2.90 2.05 3.75 parsed_1lai 3
76 1 . . . . . 2.45 1.87 3.03 parsed_1lai 3
77 1 . . . . . 2.44 2.21 2.67 parsed_1lai 3
78 1 . . . . . 2.89 2.13 3.65 parsed_1lai 3
79 1 . . . . . 2.45 2.10 2.80 parsed_1lai 3
80 1 . . . . . 2.81 2.29 3.33 parsed_1lai 3
81 1 . . . . . 3.04 2.23 3.85 parsed_1lai 3
82 1 . . . . . 3.57 2.22 4.91 parsed_1lai 3
83 1 . . . . . 3.71 2.34 5.08 parsed_1lai 3
84 1 . . . . . 2.94 2.13 3.75 parsed_1lai 3
85 1 . . . . . 3.66 3.40 3.92 parsed_1lai 3
86 1 . . . . . 2.95 2.22 3.68 parsed_1lai 3
87 1 . . . . . 3.42 2.49 4.35 parsed_1lai 3
88 1 . . . . . 2.55 2.30 2.81 parsed_1lai 3
89 1 . . . . . 3.95 2.92 4.98 parsed_1lai 3
90 1 . . . . . 3.08 2.38 3.77 parsed_1lai 3
91 1 . . . . . 3.02 1.70 4.34 parsed_1lai 3
92 1 . . . . . 3.96 3.19 4.74 parsed_1lai 3
93 1 . . . . . 3.96 2.65 5.27 parsed_1lai 3
94 1 . . . . . 2.83 2.21 3.45 parsed_1lai 3
95 1 . . . . . 2.09 1.93 2.26 parsed_1lai 3
96 1 . . . . . 5.00 4.60 5.40 parsed_1lai 3
97 1 . . . . . 2.85 1.87 3.83 parsed_1lai 3
98 1 . . . . . 3.28 2.65 3.91 parsed_1lai 3
99 1 . . . . . 2.74 2.22 3.25 parsed_1lai 3
100 1 . . . . . 3.92 2.96 4.88 parsed_1lai 3
101 1 . . . . . 2.85 2.25 3.45 parsed_1lai 3
102 1 . . . . . 2.34 1.94 2.75 parsed_1lai 3
103 1 . . . . . 3.19 2.67 3.71 parsed_1lai 3
104 1 . . . . . 3.65 2.92 4.38 parsed_1lai 3
105 1 . . . . . 3.67 2.82 4.52 parsed_1lai 3
106 1 . . . . . 3.19 2.22 4.16 parsed_1lai 3
107 1 . . . . . 2.62 2.27 2.97 parsed_1lai 3
108 1 . . . . . 3.10 2.13 4.07 parsed_1lai 3
109 1 . . . . . 2.46 2.07 2.85 parsed_1lai 3
110 1 . . . . . 3.71 2.77 4.65 parsed_1lai 3
111 1 . . . . . 3.63 3.40 3.87 parsed_1lai 3
112 1 . . . . . 2.63 2.28 2.99 parsed_1lai 3
113 1 . . . . . 4.07 3.28 4.86 parsed_1lai 3
114 1 . . . . . 2.71 2.13 3.29 parsed_1lai 3
115 1 . . . . . 2.71 2.21 3.21 parsed_1lai 3
116 1 . . . . . 4.21 3.33 5.09 parsed_1lai 3
117 1 . . . . . 2.91 1.86 3.95 parsed_1lai 3
118 1 . . . . . 3.19 2.61 3.77 parsed_1lai 3
119 1 . . . . . 4.14 3.40 4.89 parsed_1lai 3
120 1 . . . . . 2.95 2.30 3.60 parsed_1lai 3
121 1 . . . . . 3.48 2.50 4.46 parsed_1lai 3
122 1 . . . . . 4.30 3.36 5.24 parsed_1lai 3
123 1 . . . . . 3.10 2.27 3.93 parsed_1lai 3
124 1 . . . . . 3.27 2.69 3.85 parsed_1lai 3
125 1 . . . . . 3.78 3.01 4.55 parsed_1lai 3
126 1 . . . . . 3.55 2.12 4.98 parsed_1lai 3
127 1 . . . . . 3.59 2.68 4.51 parsed_1lai 3
128 1 . . . . . 3.73 2.34 5.12 parsed_1lai 3
129 1 . . . . . 2.83 2.28 3.37 parsed_1lai 3
130 1 . . . . . 3.03 2.33 3.72 parsed_1lai 3
131 1 . . . . . 2.06 1.96 2.16 parsed_1lai 3
132 1 . . . . . 4.31 3.21 5.41 parsed_1lai 3
133 1 . . . . . 3.46 2.79 4.13 parsed_1lai 3
134 1 . . . . . 3.62 3.04 4.20 parsed_1lai 3
135 1 . . . . . 5.00 4.60 5.40 parsed_1lai 3
136 1 . . . . . 2.87 1.90 3.83 parsed_1lai 3
137 1 . . . . . 4.03 2.80 5.25 parsed_1lai 3
138 1 . . . . . 2.87 2.03 3.71 parsed_1lai 3
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 ub+0.5 1 81 1 91 parsed_1lai 3
2 nc 2 81 2 91 parsed_1lai 3
3 ub+1.0 3 81 3 91 parsed_1lai 3
4 nc 4 81 4 91 parsed_1lai 3
5 lb=2.5 5 81 5 91 parsed_1lai 3
6 ub+1.0 6 81 6 91 parsed_1lai 3
7 ub+2 7 81 7 91 parsed_1lai 3
8 ub+2 8 81 8 91 parsed_1lai 3
9 ub+0.9 9 81 9 91 parsed_1lai 3
10 nc 10 81 10 91 parsed_1lai 3
11 nc 11 81 11 91 parsed_1lai 3
12 ub+0.5 12 81 12 91 parsed_1lai 3
13 lb=2.5 13 81 13 91 parsed_1lai 3
14 ub+1.0 14 81 14 91 parsed_1lai 3
15 ub+1.0 15 81 15 91 parsed_1lai 3
16 ub+1.5 16 81 16 91 parsed_1lai 3
17 ub+1.0 18 81 18 91 parsed_1lai 3
18 nc 19 81 19 91 parsed_1lai 3
19 nc 20 81 20 91 parsed_1lai 3
20 ub+0.5 21 81 21 91 parsed_1lai 3
21
;
nc
assign ( resid 4 and name H1' )( resid 5 and name Q5' ) 4.30 1.13 1.13 ! OFF
;
22 81 23 93 parsed_1lai 3
22 ub+0.5 24 81 24 91 parsed_1lai 3
23 ub+0.5 25 81 25 91 parsed_1lai 3
24 lb=2.5 26 81 26 91 parsed_1lai 3
25 nc 27 81 27 91 parsed_1lai 3
26 nc 28 81 28 91 parsed_1lai 3
27 ub+1.0 29 81 29 91 parsed_1lai 3
28 ub+0.7 30 81 30 91 parsed_1lai 3
29 ub+1.0 31 81 31 91 parsed_1lai 3
30 nc 32 81 32 91 parsed_1lai 3
31 nc 33 81 33 91 parsed_1lai 3
32 nc 34 81 34 91 parsed_1lai 3
33 ub+1.5 35 81 35 91 parsed_1lai 3
34 lb=2.5 36 81 36 91 parsed_1lai 3
35 nc 37 81 37 91 parsed_1lai 3
36 nc 38 81 38 91 parsed_1lai 3
37 ub+0.3 39 81 39 91 parsed_1lai 3
38 ub+1.0 41 81 41 91 parsed_1lai 3
39 nc 42 81 42 91 parsed_1lai 3
40 ub+0.5 43 81 43 91 parsed_1lai 3
41 lb=2.5 44 81 44 91 parsed_1lai 3
42 ub+1.0 45 81 45 91 parsed_1lai 3
43 nc 46 81 46 91 parsed_1lai 3
44 nc 47 81 47 91 parsed_1lai 3
45 ub+1.0 48 81 48 91 parsed_1lai 3
46 gen 49 81 49 91 parsed_1lai 3
47 nc 50 81 50 91 parsed_1lai 3
48 ub+1.0 51 81 51 91 parsed_1lai 3
49 ub+1.0 53 81 53 91 parsed_1lai 3
50 ub+0.5 54 81 54 91 parsed_1lai 3
51 nc 55 81 55 91 parsed_1lai 3
52 lb=2.5 56 81 56 91 parsed_1lai 3
53 ub+1.0 57 81 57 91 parsed_1lai 3
54 ub+1.5 58 81 58 91 parsed_1lai 3
55 ub+0.7 59 81 59 91 parsed_1lai 3
56 nc 60 81 60 91 parsed_1lai 3
57 nc 61 81 61 91 parsed_1lai 3
58
;
lb=2.5
assign ( resid 11 and name H1' )( resid 12 and name H2'' ) 3.45 0.51 0.50 ! OFF
;
62 81 63 93 parsed_1lai 3
59 ub+1.0 64 81 64 91 parsed_1lai 3
60 nc 65 81 65 91 parsed_1lai 3
61 nc 66 81 66 91 parsed_1lai 3
62 nc 67 81 67 91 parsed_1lai 3
63 ub+2 68 81 68 91 parsed_1lai 3
64 nc 69 81 69 91 parsed_1lai 3
65 ub+2 70 81 70 91 parsed_1lai 3
66 nc 71 81 71 91 parsed_1lai 3
67 ub+0.5 72 81 72 91 parsed_1lai 3
68 nc 73 81 73 91 parsed_1lai 3
69 ub+1.0 74 81 74 91 parsed_1lai 3
70 nc 75 81 75 91 parsed_1lai 3
71 nc 76 81 76 91 parsed_1lai 3
72 gen 77 81 77 91 parsed_1lai 3
73 ub+1.5 78 81 78 91 parsed_1lai 3
74 ub+1.0 80 81 80 91 parsed_1lai 3
75 ub+1.0 82 81 82 91 parsed_1lai 3
76 ub+0.6 83 81 83 91 parsed_1lai 3
77 nc 84 81 84 91 parsed_1lai 3
78 ub+1.0 85 81 85 91 parsed_1lai 3
79 nc 86 81 86 91 parsed_1lai 3
80 lb=2.5 87 81 87 91 parsed_1lai 3
81 ub+1.0 88 81 88 91 parsed_1lai 3
82 ub+2 89 81 89 91 parsed_1lai 3
83 ub+1.5 90 81 90 91 parsed_1lai 3
84 ub+0.7 91 81 91 91 parsed_1lai 3
85 nc 92 81 92 91 parsed_1lai 3
86 nc 93 81 93 91 parsed_1lai 3
87 ub+0.5 94 81 94 91 parsed_1lai 3
88 lb=2.5 95 81 95 91 parsed_1lai 3
89 ub+1.0 96 81 96 91 parsed_1lai 3
90 ub+1.0 97 81 97 91 parsed_1lai 3
91 ub+1.5 98 81 98 91 parsed_1lai 3
92 nc 100 81 100 91 parsed_1lai 3
93 ub+1.5 102 81 102 91 parsed_1lai 3
94 ub+0.5 103 81 103 91 parsed_1lai 3
95 nc 104 81 104 91 parsed_1lai 3
96 gen 105 81 105 91 parsed_1lai 3
97 ub+0.7 106 81 106 91 parsed_1lai 3
98 ub+0.5 107 81 107 91 parsed_1lai 3
99 nc 108 81 108 91 parsed_1lai 3
100 ub+1.0 109 81 109 91 parsed_1lai 3
101 nc 110 81 110 91 parsed_1lai 3
102 ub+0.3 111 81 111 91 parsed_1lai 3
103 nc 112 81 112 91 parsed_1lai 3
104
;
nc
assign ( resid 19 and name H1' )( resid 20 and name Q5' ) 4.08 1.14 1.14 ! OFF
;
113 81 114 93 parsed_1lai 3
105 nc 115 81 115 91 parsed_1lai 3
106 ub+0.5 116 81 116 91 parsed_1lai 3
107 nc 117 81 117 91 parsed_1lai 3
108 ub+1.0 119 81 119 91 parsed_1lai 3
109 nc 120 81 120 91 parsed_1lai 3
110 ub+1.0 121 81 121 91 parsed_1lai 3
111 ub+0.5 122 81 122 91 parsed_1lai 3
112 nc 123 81 123 91 parsed_1lai 3
113
;
nc
assign ( resid 22 and name H1' )( resid 23 and name Q5' ) 4.32 1.04 1.04 ! OFF
;
125 81 126 93 parsed_1lai 3
114 ub+0.5 127 81 127 91 parsed_1lai 3
115 nc 128 81 128 91 parsed_1lai 3
116 ub+1.0 129 81 129 91 parsed_1lai 3
117 ub+0.7 130 81 130 91 parsed_1lai 3
118 nc 131 81 131 91 parsed_1lai 3
119 nc 132 81 132 91 parsed_1lai 3
120
;
lb=2.5
assign ( resid 24 and name H1' )( resid 25 and name H2'' ) 3.38 0.58 0.59 ! OFF
;
133 81 134 93 parsed_1lai 3
121 ub+1.0 135 81 135 91 parsed_1lai 3
122 nc 136 81 136 91 parsed_1lai 3
123 ub+1.0 137 81 137 91 parsed_1lai 3
124 nc 138 81 138 91 parsed_1lai 3
125 nc 139 81 139 91 parsed_1lai 3
126 ub+2 140 81 140 91 parsed_1lai 3
127 ub+0.2 141 81 141 91 parsed_1lai 3
128 ub+1.5 142 81 142 91 parsed_1lai 3
129 ub+0.5 143 81 143 91 parsed_1lai 3
130 ub+0.5 144 81 144 91 parsed_1lai 3
131 nc 145 81 145 91 parsed_1lai 3
132 ub+1.0 146 81 146 91 parsed_1lai 3
133 nc 147 81 147 91 parsed_1lai 3
134 nc 148 81 148 91 parsed_1lai 3
135 gen 149 81 149 91 parsed_1lai 3
136 ub+1.5 150 81 150 91 parsed_1lai 3
137 ub+1.0 152 81 152 91 parsed_1lai 3
138 ub+1.0 154 81 154 91 parsed_1lai 3
stop_
save_
save_MR_file_comment_8
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1lai
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 8
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on echo=on end
! Class 4 Distance Restraints
set message=off echo=off end
;
save_
save_CNS/XPLOR_distance_constraints_9
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lai
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 9
_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_1lai 4
2 1 . . . parsed_1lai 4
3 1 . . . parsed_1lai 4
4 1 . . . parsed_1lai 4
5 1 . . . parsed_1lai 4
6 1 . . . parsed_1lai 4
7 1 . . . parsed_1lai 4
8 1 . . . parsed_1lai 4
9 1 . . . parsed_1lai 4
10 1 . . . parsed_1lai 4
11 1 . . . parsed_1lai 4
12 1 . . . parsed_1lai 4
13 1 . . . parsed_1lai 4
14 1 . . . parsed_1lai 4
15 1 . . . parsed_1lai 4
16 1 . . . parsed_1lai 4
17 1 . . . parsed_1lai 4
18 1 . . . parsed_1lai 4
19 1 . . . parsed_1lai 4
20 1 . . . parsed_1lai 4
21 1 . . . parsed_1lai 4
22 1 . . . parsed_1lai 4
23 1 . . . parsed_1lai 4
24 1 . . . parsed_1lai 4
25 1 . . . parsed_1lai 4
26 1 . . . parsed_1lai 4
27 1 . . . parsed_1lai 4
28 1 . . . parsed_1lai 4
29 1 . . . parsed_1lai 4
30 1 . . . parsed_1lai 4
31 1 . . . parsed_1lai 4
32 1 . . . parsed_1lai 4
33 1 . . . parsed_1lai 4
34 1 . . . parsed_1lai 4
35 1 . . . parsed_1lai 4
36 1 . . . parsed_1lai 4
37 1 . . . parsed_1lai 4
38 1 . . . parsed_1lai 4
39 1 . . . parsed_1lai 4
40 1 . . . parsed_1lai 4
41 1 . . . parsed_1lai 4
42 1 . . . parsed_1lai 4
43 1 . . . parsed_1lai 4
44 1 . . . parsed_1lai 4
45 1 . . . parsed_1lai 4
46 1 . . . parsed_1lai 4
47 1 . . . parsed_1lai 4
48 1 . . . parsed_1lai 4
49 1 . . . parsed_1lai 4
50 1 . . . parsed_1lai 4
51 1 . . . parsed_1lai 4
52 1 . . . parsed_1lai 4
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 . . . . . . . . . 2 . H8 parsed_1lai 4
1 1 2 . . . . . . . . . 2 . H2'' parsed_1lai 4
2 1 1 . . . . . . . . . 2 . H1' parsed_1lai 4
2 1 2 . . . . . . . . . 3 . H4' parsed_1lai 4
3 1 1 . . . . . . . . . 3 . H6 parsed_1lai 4
3 1 2 . . . . . . . . . 3 . H2' parsed_1lai 4
4 1 1 . . . . . . . . . 3 . H1' parsed_1lai 4
4 1 2 . . . . . . . . . 3 . H4' parsed_1lai 4
5 1 1 . . . . . . . . . 5 . H8 parsed_1lai 4
5 1 2 . . . . . . . . . 5 . H1' parsed_1lai 4
6 1 1 . . . . . . . . . 5 . H8 parsed_1lai 4
6 1 2 . . . . . . . . . 4 . H8 parsed_1lai 4
7 1 1 . . . . . . . . . 5 . H5' parsed_1lai 4
7 1 1 . . . . . . . . . 5 . H5'' parsed_1lai 4
7 1 2 . . . . . . . . . 5 . H1' parsed_1lai 4
8 1 1 . . . . . . . . . 5 . H5' parsed_1lai 4
8 1 1 . . . . . . . . . 5 . H5'' parsed_1lai 4
8 1 2 . . . . . . . . . 5 . H3' parsed_1lai 4
9 1 1 . . . . . . . . . 6 . H1' parsed_1lai 4
9 1 2 . . . . . . . . . 6 . H4' parsed_1lai 4
10 1 1 . . . . . . . . . 7 . H1' parsed_1lai 4
10 1 2 . . . . . . . . . 7 . H2' parsed_1lai 4
11 1 1 . . . . . . . . . 7 . H1' parsed_1lai 4
11 1 2 . . . . . . . . . 8 . H4' parsed_1lai 4
12 1 1 . . . . . . . . . 8 . H6 parsed_1lai 4
12 1 2 . . . . . . . . . 7 . H2' parsed_1lai 4
13 1 1 . . . . . . . . . 8 . H3' parsed_1lai 4
13 1 2 . . . . . . . . . 8 . H4' parsed_1lai 4
14 1 1 . . . . . . . . . 9 . H5 parsed_1lai 4
14 1 2 . . . . . . . . . 8 . H2'' parsed_1lai 4
15 1 1 . . . . . . . . . 9 . H6 parsed_1lai 4
15 1 2 . . . . . . . . . 9 . H3' parsed_1lai 4
16 1 1 . . . . . . . . . 9 . H2' parsed_1lai 4
16 1 2 . . . . . . . . . 9 . H5 parsed_1lai 4
17 1 1 . . . . . . . . . 9 . H2'' parsed_1lai 4
17 1 2 . . . . . . . . . 9 . H5 parsed_1lai 4
18 1 1 . . . . . . . . . 10 . H5 parsed_1lai 4
18 1 2 . . . . . . . . . 9 . H2' parsed_1lai 4
19 1 1 . . . . . . . . . 10 . H5 parsed_1lai 4
19 1 2 . . . . . . . . . 9 . H2'' parsed_1lai 4
20 1 1 . . . . . . . . . 10 . H6 parsed_1lai 4
20 1 2 . . . . . . . . . 10 . H3' parsed_1lai 4
21 1 1 . . . . . . . . . 10 . H2'' parsed_1lai 4
21 1 2 . . . . . . . . . 10 . H5 parsed_1lai 4
22 1 1 . . . . . . . . . 10 . H6 parsed_1lai 4
22 1 2 . . . . . . . . . 9 . H6 parsed_1lai 4
23 1 1 . . . . . . . . . 10 . H5' parsed_1lai 4
23 1 1 . . . . . . . . . 10 . H5'' parsed_1lai 4
23 1 2 . . . . . . . . . 10 . H6 parsed_1lai 4
24 1 1 . . . . . . . . . 11 . H8 parsed_1lai 4
24 1 2 . . . . . . . . . 11 . H2' parsed_1lai 4
25 1 1 . . . . . . . . . 11 . H8 parsed_1lai 4
25 1 2 . . . . . . . . . 11 . H2'' parsed_1lai 4
26 1 1 . . . . . . . . . 11 . H1' parsed_1lai 4
26 1 2 . . . . . . . . . 12 . H4' parsed_1lai 4
27 1 1 . . . . . . . . . 12 . H1' parsed_1lai 4
27 1 2 . . . . . . . . . 12 . H4' parsed_1lai 4
28 1 1 . . . . . . . . . 13 . H8 parsed_1lai 4
28 1 2 . . . . . . . . . 13 . H2' parsed_1lai 4
29 1 1 . . . . . . . . . 13 . H1' parsed_1lai 4
29 1 2 . . . . . . . . . 13 . H4' parsed_1lai 4
30 1 1 . . . . . . . . . 13 . H5' parsed_1lai 4
30 1 1 . . . . . . . . . 13 . H5'' parsed_1lai 4
30 1 2 . . . . . . . . . 13 . H1' parsed_1lai 4
31 1 1 . . . . . . . . . 15 . H8 parsed_1lai 4
31 1 2 . . . . . . . . . 15 . H2'' parsed_1lai 4
32 1 1 . . . . . . . . . 15 . H1' parsed_1lai 4
32 1 2 . . . . . . . . . 16 . H4' parsed_1lai 4
33 1 1 . . . . . . . . . 16 . H6 parsed_1lai 4
33 1 2 . . . . . . . . . 16 . H2' parsed_1lai 4
34 1 1 . . . . . . . . . 17 . H3' parsed_1lai 4
34 1 2 . . . . . . . . . 17 . H4' parsed_1lai 4
35 1 1 . . . . . . . . . 17 . H8 parsed_1lai 4
35 1 2 . . . . . . . . . 17 . H5' parsed_1lai 4
36 1 1 . . . . . . . . . 18 . H8 parsed_1lai 4
36 1 2 . . . . . . . . . 17 . H8 parsed_1lai 4
37 1 1 . . . . . . . . . 20 . H5' parsed_1lai 4
37 1 1 . . . . . . . . . 20 . H5'' parsed_1lai 4
37 1 2 . . . . . . . . . 20 . H6 parsed_1lai 4
38 1 1 . . . . . . . . . 21 . H2 parsed_1lai 4
38 1 2 . . . . . . . . . 7 . H1' parsed_1lai 4
39 1 1 . . . . . . . . . 22 . H6 parsed_1lai 4
39 1 2 . . . . . . . . . 22 . H4' parsed_1lai 4
40 1 1 . . . . . . . . . 22 . H1' parsed_1lai 4
40 1 2 . . . . . . . . . 22 . H4' parsed_1lai 4
41 1 1 . . . . . . . . . 22 . H5' parsed_1lai 4
41 1 1 . . . . . . . . . 22 . H5'' parsed_1lai 4
41 1 2 . . . . . . . . . 22 . H3' parsed_1lai 4
42 1 1 . . . . . . . . . 23 . H6 parsed_1lai 4
42 1 2 . . . . . . . . . 22 . H3' parsed_1lai 4
43 1 1 . . . . . . . . . 23 . H5 parsed_1lai 4
43 1 2 . . . . . . . . . 22 . H3' parsed_1lai 4
44 1 1 . . . . . . . . . 23 . H6 parsed_1lai 4
44 1 2 . . . . . . . . . 22 . H6 parsed_1lai 4
45 1 1 . . . . . . . . . 23 . H5' parsed_1lai 4
45 1 1 . . . . . . . . . 23 . H5'' parsed_1lai 4
45 1 2 . . . . . . . . . 23 . H6 parsed_1lai 4
46 1 1 . . . . . . . . . 24 . H8 parsed_1lai 4
46 1 2 . . . . . . . . . 24 . H2' parsed_1lai 4
47 1 1 . . . . . . . . . 24 . H8 parsed_1lai 4
47 1 2 . . . . . . . . . 24 . H2'' parsed_1lai 4
48 1 1 . . . . . . . . . 24 . H1' parsed_1lai 4
48 1 2 . . . . . . . . . 25 . H4' parsed_1lai 4
49 1 1 . . . . . . . . . 25 . H1' parsed_1lai 4
49 1 2 . . . . . . . . . 25 . H4' parsed_1lai 4
50 1 1 . . . . . . . . . 26 . H8 parsed_1lai 4
50 1 2 . . . . . . . . . 26 . H2' parsed_1lai 4
51 1 1 . . . . . . . . . 26 . H1' parsed_1lai 4
51 1 2 . . . . . . . . . 26 . H4' parsed_1lai 4
52 1 1 . . . . . . . . . 26 . H5' parsed_1lai 4
52 1 1 . . . . . . . . . 26 . H5'' parsed_1lai 4
52 1 2 . . . . . . . . . 26 . H1' parsed_1lai 4
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 . . . . . 3.00 2.15 3.85 parsed_1lai 4
2 1 . . . . . 3.72 2.34 5.10 parsed_1lai 4
3 1 . . . . . 2.23 2.09 2.37 parsed_1lai 4
4 1 . . . . . 2.83 2.16 3.50 parsed_1lai 4
5 1 . . . . . 3.06 2.12 4.00 parsed_1lai 4
6 1 . . . . . 5.00 4.60 5.40 parsed_1lai 4
7 1 . . . . . 3.76 2.56 4.97 parsed_1lai 4
8 1 . . . . . 2.83 2.08 3.58 parsed_1lai 4
9 1 . . . . . 2.73 1.93 3.53 parsed_1lai 4
10 1 . . . . . 2.95 2.29 3.60 parsed_1lai 4
11 1 . . . . . 3.77 2.45 5.09 parsed_1lai 4
12 1 . . . . . 3.66 3.40 3.91 parsed_1lai 4
13 1 . . . . . 2.37 1.97 2.77 parsed_1lai 4
14 1 . . . . . 2.88 2.38 3.38 parsed_1lai 4
15 1 . . . . . 4.28 3.10 5.45 parsed_1lai 4
16 1 . . . . . 3.13 1.90 4.36 parsed_1lai 4
17 1 . . . . . 3.96 2.21 5.71 parsed_1lai 4
18 1 . . . . . 2.73 2.25 3.21 parsed_1lai 4
19 1 . . . . . 3.08 2.32 3.83 parsed_1lai 4
20 1 . . . . . 3.79 2.73 4.85 parsed_1lai 4
21 1 . . . . . 4.04 2.39 5.70 parsed_1lai 4
22 1 . . . . . 5.00 4.60 5.40 parsed_1lai 4
23 1 . . . . . 4.09 3.49 4.69 parsed_1lai 4
24 1 . . . . . 2.17 1.93 2.40 parsed_1lai 4
25 1 . . . . . 2.92 2.15 3.69 parsed_1lai 4
26 1 . . . . . 3.67 2.25 5.09 parsed_1lai 4
27 1 . . . . . 2.92 2.21 3.63 parsed_1lai 4
28 1 . . . . . 2.12 1.95 2.29 parsed_1lai 4
29 1 . . . . . 3.13 2.27 4.00 parsed_1lai 4
30 1 . . . . . 4.00 3.22 4.79 parsed_1lai 4
31 1 . . . . . 3.02 2.16 3.88 parsed_1lai 4
32 1 . . . . . 3.77 2.45 5.09 parsed_1lai 4
33 1 . . . . . 2.22 2.09 2.36 parsed_1lai 4
34 1 . . . . . 2.27 1.89 2.65 parsed_1lai 4
35 1 . . . . . 3.68 2.92 4.44 parsed_1lai 4
36 1 . . . . . 5.00 4.60 5.40 parsed_1lai 4
37 1 . . . . . 4.11 3.26 4.96 parsed_1lai 4
38 1 . . . . . 4.33 3.37 5.29 parsed_1lai 4
39 1 . . . . . 3.64 2.53 4.75 parsed_1lai 4
40 1 . . . . . 2.90 2.19 3.61 parsed_1lai 4
41 1 . . . . . 2.88 2.07 3.70 parsed_1lai 4
42 1 . . . . . 4.71 3.83 5.59 parsed_1lai 4
43 1 . . . . . 3.77 2.33 5.21 parsed_1lai 4
44 1 . . . . . 5.00 4.60 5.40 parsed_1lai 4
45 1 . . . . . 4.64 3.94 5.35 parsed_1lai 4
46 1 . . . . . 2.17 1.94 2.40 parsed_1lai 4
47 1 . . . . . 2.92 2.09 3.75 parsed_1lai 4
48 1 . . . . . 3.69 2.28 5.10 parsed_1lai 4
49 1 . . . . . 2.93 2.19 3.67 parsed_1lai 4
50 1 . . . . . 2.11 1.97 2.25 parsed_1lai 4
51 1 . . . . . 3.05 2.24 3.86 parsed_1lai 4
52 1 . . . . . 4.03 3.22 4.83 parsed_1lai 4
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 ub+0.5 1 81 1 91 parsed_1lai 4
2 ub=5.1 2 81 2 91 parsed_1lai 4
3 nc 3 81 3 91 parsed_1lai 4
4 ub+1.0 4 81 4 91 parsed_1lai 4
5 ub+1.5 5 81 5 91 parsed_1lai 4
6 gen 6 81 6 91 parsed_1lai 4
7 ub+1.5 8 81 8 91 parsed_1lai 4
8 ub+1.0 10 81 10 91 parsed_1lai 4
9 ub+1.0 11 81 11 91 parsed_1lai 4
10 nc 12 81 12 91 parsed_1lai 4
11 ub=5.1 13 81 13 91 parsed_1lai 4
12 nc 14 81 14 91 parsed_1lai 4
13 ub+0.3 15 81 15 91 parsed_1lai 4
14 nc 16 81 16 91 parsed_1lai 4
15 ub+1.0 17 81 17 91 parsed_1lai 4
16 ub+1.8 18 81 18 91 parsed_1lai 4
17
;
ub=5.7
assign ( resid 9 and name H1' )( resid 10 and name Q5' ) 4.36 1.02 1.02 ! OFF
;
19 81 20 93 parsed_1lai 4
18 nc 21 81 21 91 parsed_1lai 4
19 nc 22 81 22 91 parsed_1lai 4
20 ub+1.0 23 81 23 91 parsed_1lai 4
21 ub=5.7 24 81 24 91 parsed_1lai 4
22 gen 25 81 25 91 parsed_1lai 4
23 nc 27 81 27 91 parsed_1lai 4
24 nc 28 81 28 91 parsed_1lai 4
25 ub+0.5 29 81 29 91 parsed_1lai 4
26 ub=5.1 30 81 30 91 parsed_1lai 4
27 ub+1.0 31 81 31 91 parsed_1lai 4
28 nc 32 81 32 91 parsed_1lai 4
29 ub+1.0 33 81 33 91 parsed_1lai 4
30 nc 35 81 35 91 parsed_1lai 4
31 ub+0.5 36 81 36 91 parsed_1lai 4
32 ub=5.1 37 81 37 91 parsed_1lai 4
33 nc 38 81 38 91 parsed_1lai 4
34 ub+0.3 39 81 39 91 parsed_1lai 4
35 nc 40 81 40 91 parsed_1lai 4
36 gen 41 81 41 91 parsed_1lai 4
37 nc 43 81 43 91 parsed_1lai 4
38 ub+1.5 44 81 44 91 parsed_1lai 4
39 ub+1.2 45 81 45 91 parsed_1lai 4
40 ub+1.0 46 81 46 91 parsed_1lai 4
41 ub+1.0 48 81 48 91 parsed_1lai 4
42 nc 49 81 49 91 parsed_1lai 4
43 ub+1 50 81 50 91 parsed_1lai 4
44 gen 51 81 51 91 parsed_1lai 4
45 nc 53 81 53 91 parsed_1lai 4
46 nc 54 81 54 91 parsed_1lai 4
47 ub+0.5 55 81 55 91 parsed_1lai 4
48 ub=5.1 56 81 56 91 parsed_1lai 4
49 ub+1.0 57 81 57 91 parsed_1lai 4
50 nc 58 81 58 91 parsed_1lai 4
51 ub+1.0 59 81 59 91 parsed_1lai 4
52 nc 61 81 61 91 parsed_1lai 4
stop_
save_
save_MR_file_comment_10
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1lai
_Org_constr_file_comment.ID 6
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 10
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on echo=on end
! Class 5 Distance Restraints
set message=off echo=off end
;
save_
save_CNS/XPLOR_distance_constraints_11
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lai
_Distance_constraint_list.ID 5
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 11
_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_1lai 5
2 1 . . . parsed_1lai 5
3 1 . . . parsed_1lai 5
4 1 . . . parsed_1lai 5
5 1 . . . parsed_1lai 5
6 1 . . . parsed_1lai 5
7 1 . . . parsed_1lai 5
8 1 . . . parsed_1lai 5
9 1 . . . parsed_1lai 5
10 1 . . . parsed_1lai 5
11 1 . . . parsed_1lai 5
12 1 . . . parsed_1lai 5
13 1 . . . parsed_1lai 5
14 1 . . . parsed_1lai 5
15 1 . . . parsed_1lai 5
16 1 . . . parsed_1lai 5
17 1 . . . parsed_1lai 5
18 1 . . . parsed_1lai 5
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 . H2'' parsed_1lai 5
1 1 2 . . . . . . . . . 1 . H5 parsed_1lai 5
2 1 1 . . . . . . . . . 2 . H8 parsed_1lai 5
2 1 2 . . . . . . . . . 2 . H2' parsed_1lai 5
3 1 1 . . . . . . . . . 2 . H1' parsed_1lai 5
3 1 2 . . . . . . . . . 2 . H2' parsed_1lai 5
4 1 1 . . . . . . . . . 2 . H1' parsed_1lai 5
4 1 2 . . . . . . . . . 2 . H2'' parsed_1lai 5
5 1 1 . . . . . . . . . 3 . H1' parsed_1lai 5
5 1 2 . . . . . . . . . 3 . H2' parsed_1lai 5
6 1 1 . . . . . . . . . 3 . H1' parsed_1lai 5
6 1 2 . . . . . . . . . 3 . H2'' parsed_1lai 5
7 1 1 . . . . . . . . . 6 . H5' parsed_1lai 5
7 1 1 . . . . . . . . . 6 . H5'' parsed_1lai 5
7 1 2 . . . . . . . . . 6 . H1' parsed_1lai 5
8 1 1 . . . . . . . . . 7 . H5' parsed_1lai 5
8 1 1 . . . . . . . . . 7 . H5'' parsed_1lai 5
8 1 2 . . . . . . . . . 7 . H1' parsed_1lai 5
9 1 1 . . . . . . . . . 8 . H5' parsed_1lai 5
9 1 1 . . . . . . . . . 8 . H5'' parsed_1lai 5
9 1 2 . . . . . . . . . 8 . H6 parsed_1lai 5
10 1 1 . . . . . . . . . 9 . H1' parsed_1lai 5
10 1 2 . . . . . . . . . 9 . H4' parsed_1lai 5
11 1 1 . . . . . . . . . 11 . H1' parsed_1lai 5
11 1 2 . . . . . . . . . 11 . H2' parsed_1lai 5
12 1 1 . . . . . . . . . 11 . H1' parsed_1lai 5
12 1 2 . . . . . . . . . 11 . H2'' parsed_1lai 5
13 1 1 . . . . . . . . . 14 . H2'' parsed_1lai 5
13 1 2 . . . . . . . . . 14 . H5 parsed_1lai 5
14 1 1 . . . . . . . . . 15 . H8 parsed_1lai 5
14 1 2 . . . . . . . . . 15 . H2' parsed_1lai 5
15 1 1 . . . . . . . . . 15 . H1' parsed_1lai 5
15 1 2 . . . . . . . . . 15 . H2' parsed_1lai 5
16 1 1 . . . . . . . . . 15 . H1' parsed_1lai 5
16 1 2 . . . . . . . . . 15 . H2'' parsed_1lai 5
17 1 1 . . . . . . . . . 24 . H1' parsed_1lai 5
17 1 2 . . . . . . . . . 24 . H2' parsed_1lai 5
18 1 1 . . . . . . . . . 24 . H1' parsed_1lai 5
18 1 2 . . . . . . . . . 24 . H2'' parsed_1lai 5
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 . . . . . 4.30 2.90 5.70 parsed_1lai 5
2 1 . . . . . 2.37 2.01 2.72 parsed_1lai 5
3 1 . . . . . 3.00 2.23 3.76 parsed_1lai 5
4 1 . . . . . 2.43 1.97 2.89 parsed_1lai 5
5 1 . . . . . 2.81 2.37 3.25 parsed_1lai 5
6 1 . . . . . 2.24 2.08 2.39 parsed_1lai 5
7 1 . . . . . 3.71 2.36 5.05 parsed_1lai 5
8 1 . . . . . 3.79 2.39 5.18 parsed_1lai 5
9 1 . . . . . 3.69 2.98 4.40 parsed_1lai 5
10 1 . . . . . 2.75 2.04 3.46 parsed_1lai 5
11 1 . . . . . 2.90 2.27 3.53 parsed_1lai 5
12 1 . . . . . 2.21 1.93 2.49 parsed_1lai 5
13 1 . . . . . 4.27 2.84 5.70 parsed_1lai 5
14 1 . . . . . 2.40 1.99 2.80 parsed_1lai 5
15 1 . . . . . 2.83 2.20 3.47 parsed_1lai 5
16 1 . . . . . 2.29 1.95 2.62 parsed_1lai 5
17 1 . . . . . 2.96 2.27 3.66 parsed_1lai 5
18 1 . . . . . 2.19 1.88 2.50 parsed_1lai 5
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 ub=5.7 1 81 1 91 parsed_1lai 5
2 nc 2 81 2 91 parsed_1lai 5
3 nc 3 81 3 91 parsed_1lai 5
4 nc 4 81 4 91 parsed_1lai 5
5 nc 5 81 5 91 parsed_1lai 5
6 nc 6 81 6 91 parsed_1lai 5
7 ub+2 8 81 8 91 parsed_1lai 5
8 ub+2 10 81 10 91 parsed_1lai 5
9 nc 12 81 12 91 parsed_1lai 5
10 ub+1.0 13 81 13 91 parsed_1lai 5
11 nc 14 81 14 91 parsed_1lai 5
12 nc 15 81 15 91 parsed_1lai 5
13 ub=5.7 16 81 16 91 parsed_1lai 5
14 nc 17 81 17 91 parsed_1lai 5
15 nc 18 81 18 91 parsed_1lai 5
16 nc 19 81 19 91 parsed_1lai 5
17 nc 20 81 20 91 parsed_1lai 5
18 nc 21 81 21 91 parsed_1lai 5
stop_
save_
save_MR_file_comment_12
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1lai
_Org_constr_file_comment.ID 7
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 12
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on echo=on end
! Base Pairing Distance Restraints
set message=off echo=off end
;
save_
save_CNS/XPLOR_distance_constraints_13
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lai
_Distance_constraint_list.ID 6
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 13
_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_1lai 6
2 1 . . . parsed_1lai 6
3 1 . . . parsed_1lai 6
4 1 . . . parsed_1lai 6
5 1 . . . parsed_1lai 6
6 1 . . . parsed_1lai 6
7 1 . . . parsed_1lai 6
8 1 . . . parsed_1lai 6
9 1 . . . parsed_1lai 6
10 1 . . . parsed_1lai 6
11 1 . . . parsed_1lai 6
12 1 . . . parsed_1lai 6
13 1 . . . parsed_1lai 6
14 1 . . . parsed_1lai 6
15 1 . . . parsed_1lai 6
16 1 . . . parsed_1lai 6
17 1 . . . parsed_1lai 6
18 1 . . . parsed_1lai 6
19 1 . . . parsed_1lai 6
20 1 . . . parsed_1lai 6
21 1 . . . parsed_1lai 6
22 1 . . . parsed_1lai 6
23 1 . . . parsed_1lai 6
24 1 . . . parsed_1lai 6
25 1 . . . parsed_1lai 6
26 1 . . . parsed_1lai 6
27 1 . . . parsed_1lai 6
28 1 . . . parsed_1lai 6
29 1 . . . parsed_1lai 6
30 1 . . . parsed_1lai 6
31 1 . . . parsed_1lai 6
32 1 . . . parsed_1lai 6
33 1 . . . parsed_1lai 6
34 1 . . . parsed_1lai 6
35 1 . . . parsed_1lai 6
36 1 . . . parsed_1lai 6
37 1 . . . parsed_1lai 6
38 1 . . . parsed_1lai 6
39 1 . . . parsed_1lai 6
40 1 . . . parsed_1lai 6
41 1 . . . parsed_1lai 6
42 1 . . . parsed_1lai 6
43 1 . . . parsed_1lai 6
44 1 . . . parsed_1lai 6
45 1 . . . parsed_1lai 6
46 1 . . . parsed_1lai 6
47 1 . . . parsed_1lai 6
48 1 . . . parsed_1lai 6
49 1 . . . parsed_1lai 6
50 1 . . . parsed_1lai 6
51 1 . . . parsed_1lai 6
52 1 . . . parsed_1lai 6
53 1 . . . parsed_1lai 6
54 1 . . . parsed_1lai 6
55 1 . . . parsed_1lai 6
56 1 . . . parsed_1lai 6
57 1 . . . parsed_1lai 6
58 1 . . . parsed_1lai 6
59 1 . . . parsed_1lai 6
60 1 . . . parsed_1lai 6
61 1 . . . parsed_1lai 6
62 1 . . . parsed_1lai 6
63 1 . . . parsed_1lai 6
64 1 . . . parsed_1lai 6
65 1 . . . parsed_1lai 6
66 1 . . . parsed_1lai 6
67 1 . . . parsed_1lai 6
68 1 . . . parsed_1lai 6
69 1 . . . parsed_1lai 6
70 1 . . . parsed_1lai 6
71 1 . . . parsed_1lai 6
72 1 . . . parsed_1lai 6
73 1 . . . parsed_1lai 6
74 1 . . . parsed_1lai 6
75 1 . . . parsed_1lai 6
76 1 . . . parsed_1lai 6
77 1 . . . parsed_1lai 6
78 1 . . . parsed_1lai 6
79 1 . . . parsed_1lai 6
80 1 . . . parsed_1lai 6
81 1 . . . parsed_1lai 6
82 1 . . . parsed_1lai 6
83 1 . . . parsed_1lai 6
84 1 . . . parsed_1lai 6
85 1 . . . parsed_1lai 6
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 . n4 parsed_1lai 6
1 1 2 . . . . . . . . . 26 . o6 parsed_1lai 6
2 1 1 . . . . . . . . . 1 . h41 parsed_1lai 6
2 1 2 . . . . . . . . . 26 . o6 parsed_1lai 6
3 1 1 . . . . . . . . . 1 . n3 parsed_1lai 6
3 1 2 . . . . . . . . . 26 . n1 parsed_1lai 6
4 1 1 . . . . . . . . . 1 . o2 parsed_1lai 6
4 1 2 . . . . . . . . . 26 . n2 parsed_1lai 6
5 1 1 . . . . . . . . . 1 . o2 parsed_1lai 6
5 1 2 . . . . . . . . . 26 . h22 parsed_1lai 6
6 1 1 . . . . . . . . . 1 . n3 parsed_1lai 6
6 1 2 . . . . . . . . . 26 . n2 parsed_1lai 6
7 1 1 . . . . . . . . . 1 . o2 parsed_1lai 6
7 1 2 . . . . . . . . . 26 . o6 parsed_1lai 6
8 1 1 . . . . . . . . . 2 . o6 parsed_1lai 6
8 1 2 . . . . . . . . . 25 . n4 parsed_1lai 6
9 1 1 . . . . . . . . . 2 . o6 parsed_1lai 6
9 1 2 . . . . . . . . . 25 . h41 parsed_1lai 6
10 1 1 . . . . . . . . . 2 . n1 parsed_1lai 6
10 1 2 . . . . . . . . . 25 . n3 parsed_1lai 6
11 1 1 . . . . . . . . . 2 . n2 parsed_1lai 6
11 1 2 . . . . . . . . . 25 . o2 parsed_1lai 6
12 1 1 . . . . . . . . . 2 . h22 parsed_1lai 6
12 1 2 . . . . . . . . . 25 . o2 parsed_1lai 6
13 1 1 . . . . . . . . . 2 . n2 parsed_1lai 6
13 1 2 . . . . . . . . . 25 . n3 parsed_1lai 6
14 1 1 . . . . . . . . . 2 . o6 parsed_1lai 6
14 1 2 . . . . . . . . . 25 . o2 parsed_1lai 6
15 1 1 . . . . . . . . . 3 . n4 parsed_1lai 6
15 1 2 . . . . . . . . . 24 . o6 parsed_1lai 6
16 1 1 . . . . . . . . . 3 . h41 parsed_1lai 6
16 1 2 . . . . . . . . . 24 . o6 parsed_1lai 6
17 1 1 . . . . . . . . . 3 . n3 parsed_1lai 6
17 1 2 . . . . . . . . . 24 . n1 parsed_1lai 6
18 1 1 . . . . . . . . . 3 . o2 parsed_1lai 6
18 1 2 . . . . . . . . . 24 . n2 parsed_1lai 6
19 1 1 . . . . . . . . . 3 . o2 parsed_1lai 6
19 1 2 . . . . . . . . . 24 . h22 parsed_1lai 6
20 1 1 . . . . . . . . . 3 . n3 parsed_1lai 6
20 1 2 . . . . . . . . . 24 . n2 parsed_1lai 6
21 1 1 . . . . . . . . . 3 . o2 parsed_1lai 6
21 1 2 . . . . . . . . . 24 . o6 parsed_1lai 6
22 1 1 . . . . . . . . . 4 . o6 parsed_1lai 6
22 1 2 . . . . . . . . . 23 . n4 parsed_1lai 6
23 1 1 . . . . . . . . . 4 . o6 parsed_1lai 6
23 1 2 . . . . . . . . . 23 . h41 parsed_1lai 6
24 1 1 . . . . . . . . . 4 . n1 parsed_1lai 6
24 1 2 . . . . . . . . . 23 . n3 parsed_1lai 6
25 1 1 . . . . . . . . . 4 . n2 parsed_1lai 6
25 1 2 . . . . . . . . . 23 . o2 parsed_1lai 6
26 1 1 . . . . . . . . . 4 . h22 parsed_1lai 6
26 1 2 . . . . . . . . . 23 . o2 parsed_1lai 6
27 1 1 . . . . . . . . . 4 . n2 parsed_1lai 6
27 1 2 . . . . . . . . . 23 . n3 parsed_1lai 6
28 1 1 . . . . . . . . . 4 . o6 parsed_1lai 6
28 1 2 . . . . . . . . . 23 . o2 parsed_1lai 6
29 1 1 . . . . . . . . . 5 . o6 parsed_1lai 6
29 1 2 . . . . . . . . . 22 . n4 parsed_1lai 6
30 1 1 . . . . . . . . . 5 . o6 parsed_1lai 6
30 1 2 . . . . . . . . . 22 . h41 parsed_1lai 6
31 1 1 . . . . . . . . . 5 . n1 parsed_1lai 6
31 1 2 . . . . . . . . . 22 . n3 parsed_1lai 6
32 1 1 . . . . . . . . . 5 . n2 parsed_1lai 6
32 1 2 . . . . . . . . . 22 . o2 parsed_1lai 6
33 1 1 . . . . . . . . . 5 . h22 parsed_1lai 6
33 1 2 . . . . . . . . . 22 . o2 parsed_1lai 6
34 1 1 . . . . . . . . . 5 . n2 parsed_1lai 6
34 1 2 . . . . . . . . . 22 . n3 parsed_1lai 6
35 1 1 . . . . . . . . . 5 . o6 parsed_1lai 6
35 1 2 . . . . . . . . . 22 . o2 parsed_1lai 6
36 1 1 . . . . . . . . . 6 . o4 parsed_1lai 6
36 1 2 . . . . . . . . . 21 . n6 parsed_1lai 6
37 1 1 . . . . . . . . . 6 . n3 parsed_1lai 6
37 1 2 . . . . . . . . . 21 . n1 parsed_1lai 6
38 1 1 . . . . . . . . . 6 . o4 parsed_1lai 6
38 1 2 . . . . . . . . . 21 . n1 parsed_1lai 6
39 1 1 . . . . . . . . . 6 . o2 parsed_1lai 6
39 1 2 . . . . . . . . . 21 . n6 parsed_1lai 6
40 1 1 . . . . . . . . . 7 . o6 parsed_1lai 6
40 1 2 . . . . . . . . . 20 . n4 parsed_1lai 6
41 1 1 . . . . . . . . . 7 . o6 parsed_1lai 6
41 1 2 . . . . . . . . . 20 . h41 parsed_1lai 6
42 1 1 . . . . . . . . . 7 . n1 parsed_1lai 6
42 1 2 . . . . . . . . . 20 . n3 parsed_1lai 6
43 1 1 . . . . . . . . . 7 . n2 parsed_1lai 6
43 1 2 . . . . . . . . . 20 . o2 parsed_1lai 6
44 1 1 . . . . . . . . . 7 . h22 parsed_1lai 6
44 1 2 . . . . . . . . . 20 . o2 parsed_1lai 6
45 1 1 . . . . . . . . . 7 . n2 parsed_1lai 6
45 1 2 . . . . . . . . . 20 . n3 parsed_1lai 6
46 1 1 . . . . . . . . . 7 . o6 parsed_1lai 6
46 1 2 . . . . . . . . . 20 . o2 parsed_1lai 6
47 1 1 . . . . . . . . . 8 . o4 parsed_1lai 6
47 1 2 . . . . . . . . . 19 . n6 parsed_1lai 6
48 1 1 . . . . . . . . . 8 . n3 parsed_1lai 6
48 1 2 . . . . . . . . . 19 . n1 parsed_1lai 6
49 1 1 . . . . . . . . . 8 . o4 parsed_1lai 6
49 1 2 . . . . . . . . . 19 . n1 parsed_1lai 6
50 1 1 . . . . . . . . . 8 . o2 parsed_1lai 6
50 1 2 . . . . . . . . . 19 . n6 parsed_1lai 6
51 1 1 . . . . . . . . . 9 . n4 parsed_1lai 6
51 1 2 . . . . . . . . . 18 . o6 parsed_1lai 6
52 1 1 . . . . . . . . . 9 . h41 parsed_1lai 6
52 1 2 . . . . . . . . . 18 . o6 parsed_1lai 6
53 1 1 . . . . . . . . . 9 . n3 parsed_1lai 6
53 1 2 . . . . . . . . . 18 . n1 parsed_1lai 6
54 1 1 . . . . . . . . . 9 . o2 parsed_1lai 6
54 1 2 . . . . . . . . . 18 . n2 parsed_1lai 6
55 1 1 . . . . . . . . . 9 . o2 parsed_1lai 6
55 1 2 . . . . . . . . . 18 . h22 parsed_1lai 6
56 1 1 . . . . . . . . . 9 . n3 parsed_1lai 6
56 1 2 . . . . . . . . . 18 . n2 parsed_1lai 6
57 1 1 . . . . . . . . . 9 . o2 parsed_1lai 6
57 1 2 . . . . . . . . . 18 . o6 parsed_1lai 6
58 1 1 . . . . . . . . . 10 . n4 parsed_1lai 6
58 1 2 . . . . . . . . . 17 . o6 parsed_1lai 6
59 1 1 . . . . . . . . . 10 . h41 parsed_1lai 6
59 1 2 . . . . . . . . . 17 . o6 parsed_1lai 6
60 1 1 . . . . . . . . . 10 . n3 parsed_1lai 6
60 1 2 . . . . . . . . . 17 . n1 parsed_1lai 6
61 1 1 . . . . . . . . . 10 . o2 parsed_1lai 6
61 1 2 . . . . . . . . . 17 . n2 parsed_1lai 6
62 1 1 . . . . . . . . . 10 . o2 parsed_1lai 6
62 1 2 . . . . . . . . . 17 . h22 parsed_1lai 6
63 1 1 . . . . . . . . . 10 . n3 parsed_1lai 6
63 1 2 . . . . . . . . . 17 . n2 parsed_1lai 6
64 1 1 . . . . . . . . . 10 . o2 parsed_1lai 6
64 1 2 . . . . . . . . . 17 . o6 parsed_1lai 6
65 1 1 . . . . . . . . . 11 . o6 parsed_1lai 6
65 1 2 . . . . . . . . . 16 . n4 parsed_1lai 6
66 1 1 . . . . . . . . . 11 . o6 parsed_1lai 6
66 1 2 . . . . . . . . . 16 . h41 parsed_1lai 6
67 1 1 . . . . . . . . . 11 . n1 parsed_1lai 6
67 1 2 . . . . . . . . . 16 . n3 parsed_1lai 6
68 1 1 . . . . . . . . . 11 . n2 parsed_1lai 6
68 1 2 . . . . . . . . . 16 . o2 parsed_1lai 6
69 1 1 . . . . . . . . . 11 . h22 parsed_1lai 6
69 1 2 . . . . . . . . . 16 . o2 parsed_1lai 6
70 1 1 . . . . . . . . . 11 . n2 parsed_1lai 6
70 1 2 . . . . . . . . . 16 . n3 parsed_1lai 6
71 1 1 . . . . . . . . . 11 . o6 parsed_1lai 6
71 1 2 . . . . . . . . . 16 . o2 parsed_1lai 6
72 1 1 . . . . . . . . . 12 . n4 parsed_1lai 6
72 1 2 . . . . . . . . . 15 . o6 parsed_1lai 6
73 1 1 . . . . . . . . . 12 . h41 parsed_1lai 6
73 1 2 . . . . . . . . . 15 . o6 parsed_1lai 6
74 1 1 . . . . . . . . . 12 . n3 parsed_1lai 6
74 1 2 . . . . . . . . . 15 . n1 parsed_1lai 6
75 1 1 . . . . . . . . . 12 . o2 parsed_1lai 6
75 1 2 . . . . . . . . . 15 . n2 parsed_1lai 6
76 1 1 . . . . . . . . . 12 . o2 parsed_1lai 6
76 1 2 . . . . . . . . . 15 . h22 parsed_1lai 6
77 1 1 . . . . . . . . . 12 . n3 parsed_1lai 6
77 1 2 . . . . . . . . . 15 . n2 parsed_1lai 6
78 1 1 . . . . . . . . . 12 . o2 parsed_1lai 6
78 1 2 . . . . . . . . . 15 . o6 parsed_1lai 6
79 1 1 . . . . . . . . . 13 . o6 parsed_1lai 6
79 1 2 . . . . . . . . . 14 . n4 parsed_1lai 6
80 1 1 . . . . . . . . . 13 . o6 parsed_1lai 6
80 1 2 . . . . . . . . . 14 . h41 parsed_1lai 6
81 1 1 . . . . . . . . . 13 . n1 parsed_1lai 6
81 1 2 . . . . . . . . . 14 . n3 parsed_1lai 6
82 1 1 . . . . . . . . . 13 . n2 parsed_1lai 6
82 1 2 . . . . . . . . . 14 . o2 parsed_1lai 6
83 1 1 . . . . . . . . . 13 . h22 parsed_1lai 6
83 1 2 . . . . . . . . . 14 . o2 parsed_1lai 6
84 1 1 . . . . . . . . . 13 . n2 parsed_1lai 6
84 1 2 . . . . . . . . . 14 . n3 parsed_1lai 6
85 1 1 . . . . . . . . . 13 . o6 parsed_1lai 6
85 1 2 . . . . . . . . . 14 . o2 parsed_1lai 6
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 . . . . . 2.91 2.86 2.96 parsed_1lai 6
2 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
3 1 . . . . . 2.95 2.90 3.00 parsed_1lai 6
4 1 . . . . . 2.86 2.81 2.91 parsed_1lai 6
5 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
6 1 . . . . . 3.65 3.60 3.70 parsed_1lai 6
7 1 . . . . . 5.42 5.37 5.47 parsed_1lai 6
8 1 . . . . . 2.91 2.86 2.96 parsed_1lai 6
9 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
10 1 . . . . . 2.95 2.90 3.00 parsed_1lai 6
11 1 . . . . . 2.86 2.81 2.91 parsed_1lai 6
12 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
13 1 . . . . . 3.65 3.60 3.70 parsed_1lai 6
14 1 . . . . . 5.42 5.37 5.47 parsed_1lai 6
15 1 . . . . . 2.91 2.86 2.96 parsed_1lai 6
16 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
17 1 . . . . . 2.95 2.90 3.00 parsed_1lai 6
18 1 . . . . . 2.86 2.81 2.91 parsed_1lai 6
19 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
20 1 . . . . . 3.65 3.60 3.70 parsed_1lai 6
21 1 . . . . . 5.42 5.37 5.47 parsed_1lai 6
22 1 . . . . . 2.91 2.86 2.96 parsed_1lai 6
23 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
24 1 . . . . . 2.95 2.90 3.00 parsed_1lai 6
25 1 . . . . . 2.86 2.81 2.91 parsed_1lai 6
26 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
27 1 . . . . . 3.65 3.60 3.70 parsed_1lai 6
28 1 . . . . . 5.42 5.37 5.47 parsed_1lai 6
29 1 . . . . . 2.91 2.86 2.96 parsed_1lai 6
30 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
31 1 . . . . . 2.95 2.90 3.00 parsed_1lai 6
32 1 . . . . . 2.86 2.81 2.91 parsed_1lai 6
33 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
34 1 . . . . . 3.65 3.60 3.70 parsed_1lai 6
35 1 . . . . . 5.42 5.37 5.47 parsed_1lai 6
36 1 . . . . . 2.95 2.90 3.00 parsed_1lai 6
37 1 . . . . . 2.82 2.77 2.87 parsed_1lai 6
38 1 . . . . . 3.63 3.58 3.68 parsed_1lai 6
39 1 . . . . . 5.40 5.35 5.45 parsed_1lai 6
40 1 . . . . . 2.91 2.86 2.96 parsed_1lai 6
41 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
42 1 . . . . . 2.95 2.90 3.00 parsed_1lai 6
43 1 . . . . . 2.86 2.81 2.91 parsed_1lai 6
44 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
45 1 . . . . . 3.65 3.60 3.70 parsed_1lai 6
46 1 . . . . . 5.42 5.37 5.47 parsed_1lai 6
47 1 . . . . . 2.95 2.90 3.00 parsed_1lai 6
48 1 . . . . . 2.82 2.77 2.87 parsed_1lai 6
49 1 . . . . . 3.63 3.58 3.68 parsed_1lai 6
50 1 . . . . . 5.40 5.35 5.45 parsed_1lai 6
51 1 . . . . . 2.91 2.86 2.96 parsed_1lai 6
52 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
53 1 . . . . . 2.95 2.90 3.00 parsed_1lai 6
54 1 . . . . . 2.86 2.81 2.91 parsed_1lai 6
55 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
56 1 . . . . . 3.65 3.60 3.70 parsed_1lai 6
57 1 . . . . . 5.42 5.37 5.47 parsed_1lai 6
58 1 . . . . . 2.91 2.86 2.96 parsed_1lai 6
59 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
60 1 . . . . . 2.95 2.90 3.00 parsed_1lai 6
61 1 . . . . . 2.86 2.81 2.91 parsed_1lai 6
62 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
63 1 . . . . . 3.65 3.60 3.70 parsed_1lai 6
64 1 . . . . . 5.42 5.37 5.47 parsed_1lai 6
65 1 . . . . . 2.91 2.86 2.96 parsed_1lai 6
66 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
67 1 . . . . . 2.95 2.90 3.00 parsed_1lai 6
68 1 . . . . . 2.86 2.81 2.91 parsed_1lai 6
69 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
70 1 . . . . . 3.65 3.60 3.70 parsed_1lai 6
71 1 . . . . . 5.42 5.37 5.47 parsed_1lai 6
72 1 . . . . . 2.91 2.86 2.96 parsed_1lai 6
73 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
74 1 . . . . . 2.95 2.90 3.00 parsed_1lai 6
75 1 . . . . . 2.86 2.81 2.91 parsed_1lai 6
76 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
77 1 . . . . . 3.65 3.60 3.70 parsed_1lai 6
78 1 . . . . . 5.42 5.37 5.47 parsed_1lai 6
79 1 . . . . . 2.91 2.86 2.96 parsed_1lai 6
80 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
81 1 . . . . . 2.95 2.90 3.00 parsed_1lai 6
82 1 . . . . . 2.86 2.81 2.91 parsed_1lai 6
83 1 . . . . . 1.90 1.85 1.95 parsed_1lai 6
84 1 . . . . . 3.65 3.60 3.70 parsed_1lai 6
85 1 . . . . . 5.42 5.37 5.47 parsed_1lai 6
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 "C:G Base Pair" 1 1 1 16 parsed_1lai 6
2 "G:C Base Pair" 9 1 9 16 parsed_1lai 6
stop_
save_
save_MR_file_comment_14
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1lai
_Org_constr_file_comment.ID 8
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 14
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on echo=on end
! Epsilon Backbone Dihedral Angle Restraints
set message=off echo=off end
;
save_
save_CNS/XPLOR_dihedral_15
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1lai
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 15
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 1 . C4' . 1 . C3' . 1 . O3' . 2 . P parsed_1lai 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 2 . C4' . 2 . C3' . 2 . O3' . 3 . P parsed_1lai 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 3 . C4' . 3 . C3' . 3 . O3' . 4 . P parsed_1lai 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 4 . C4' . 4 . C3' . 4 . O3' . 5 . P parsed_1lai 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 5 . C4' . 5 . C3' . 5 . O3' . 6 . P parsed_1lai 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 6 . C4' . 6 . C3' . 6 . O3' . 7 . P parsed_1lai 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 7 . C4' . 7 . C3' . 7 . O3' . 8 . P parsed_1lai 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 8 . C4' . 8 . C3' . 8 . O3' . 9 . P parsed_1lai 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 9 . C4' . 9 . C3' . 9 . O3' . 10 . P parsed_1lai 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 10 . C4' . 10 . C3' . 10 . O3' . 11 . P parsed_1lai 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 11 . C4' . 11 . C3' . 11 . O3' . 12 . P parsed_1lai 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 12 . C4' . 12 . C3' . 12 . O3' . 13 . P parsed_1lai 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 14 . C4' . 14 . C3' . 14 . O3' . 15 . P parsed_1lai 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 15 . C4' . 15 . C3' . 15 . O3' . 16 . P parsed_1lai 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 16 . C4' . 16 . C3' . 16 . O3' . 17 . P parsed_1lai 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 17 . C4' . 17 . C3' . 17 . O3' . 18 . P parsed_1lai 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 18 . C4' . 18 . C3' . 18 . O3' . 19 . P parsed_1lai 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 19 . C4' . 19 . C3' . 19 . O3' . 20 . P parsed_1lai 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 20 . C4' . 20 . C3' . 20 . O3' . 21 . P parsed_1lai 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 21 . C4' . 21 . C3' . 21 . O3' . 22 . P parsed_1lai 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 22 . C4' . 22 . C3' . 22 . O3' . 23 . P parsed_1lai 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 23 . C4' . 23 . C3' . 23 . O3' . 24 . P parsed_1lai 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 24 . C4' . 24 . C3' . 24 . O3' . 25 . P parsed_1lai 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.0 10.0 . . 25 . C4' . 25 . C3' . 25 . O3' . 26 . P parsed_1lai 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "backbone epsilon angles" 1 1 1 26 parsed_1lai 1
stop_
save_
save_MR_file_comment_16
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1lai
_Org_constr_file_comment.ID 9
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 16
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on echo=on end
! Gamma Backbone Dihedral Angle Restraints
set message=off echo=off end
;
save_
save_CNS/XPLOR_dihedral_17
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1lai
_Torsion_angle_constraint_list.ID 2
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 17
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 1 . C3' . 1 . C4' . 1 . C5' . 1 . O5' parsed_1lai 2
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 2 . C3' . 2 . C4' . 2 . C5' . 2 . O5' parsed_1lai 2
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 3 . C3' . 3 . C4' . 3 . C5' . 3 . O5' parsed_1lai 2
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 4 . C3' . 4 . C4' . 4 . C5' . 4 . O5' parsed_1lai 2
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 5 . C3' . 5 . C4' . 5 . C5' . 5 . O5' parsed_1lai 2
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 6 . C3' . 6 . C4' . 6 . C5' . 6 . O5' parsed_1lai 2
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 7 . C3' . 7 . C4' . 7 . C5' . 7 . O5' parsed_1lai 2
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 8 . C3' . 8 . C4' . 8 . C5' . 8 . O5' parsed_1lai 2
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 9 . C3' . 9 . C4' . 9 . C5' . 9 . O5' parsed_1lai 2
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 10 . C3' . 10 . C4' . 10 . C5' . 10 . O5' parsed_1lai 2
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 11 . C3' . 11 . C4' . 11 . C5' . 11 . O5' parsed_1lai 2
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 12 . C3' . 12 . C4' . 12 . C5' . 12 . O5' parsed_1lai 2
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 13 . C3' . 13 . C4' . 13 . C5' . 13 . O5' parsed_1lai 2
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 14 . C3' . 14 . C4' . 14 . C5' . 14 . O5' parsed_1lai 2
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 15 . C3' . 15 . C4' . 15 . C5' . 15 . O5' parsed_1lai 2
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 16 . C3' . 16 . C4' . 16 . C5' . 16 . O5' parsed_1lai 2
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 17 . C3' . 17 . C4' . 17 . C5' . 17 . O5' parsed_1lai 2
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 18 . C3' . 18 . C4' . 18 . C5' . 18 . O5' parsed_1lai 2
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 19 . C3' . 19 . C4' . 19 . C5' . 19 . O5' parsed_1lai 2
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 20 . C3' . 20 . C4' . 20 . C5' . 20 . O5' parsed_1lai 2
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 21 . C3' . 21 . C4' . 21 . C5' . 21 . O5' parsed_1lai 2
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 22 . C3' . 22 . C4' . 22 . C5' . 22 . O5' parsed_1lai 2
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 23 . C3' . 23 . C4' . 23 . C5' . 23 . O5' parsed_1lai 2
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 24 . C3' . 24 . C4' . 24 . C5' . 24 . O5' parsed_1lai 2
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 25 . C3' . 25 . C4' . 25 . C5' . 25 . O5' parsed_1lai 2
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 26 . C3' . 26 . C4' . 26 . C5' . 26 . O5' parsed_1lai 2
stop_
save_
save_MR_file_comment_18
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1lai
_Org_constr_file_comment.ID 10
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 18
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on echo=on end
! Sugar Dihedral Angle Restraints
set message=off echo=off end
;
save_
save_CNS/XPLOR_dihedral_19
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1lai
_Torsion_angle_constraint_list.ID 3
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 19
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -19.0 2.0 . . 1 . C4' . 1 . O4' . 1 . C1' . 1 . C2' parsed_1lai 3
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 36.0 . . 1 . O4' . 1 . C1' . 1 . C2' . 1 . C3' parsed_1lai 3
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -37.0 . . 1 . C1' . 1 . C2' . 1 . C3' . 1 . C4' parsed_1lai 3
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27.0 38.0 . . 1 . C2' . 1 . C3' . 1 . C4' . 1 . O4' parsed_1lai 3
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.0 -6.0 . . 1 . C3' . 1 . C4' . 1 . O4' . 1 . C1' parsed_1lai 3
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 12.0 . . 3 . C4' . 3 . O4' . 3 . C1' . 3 . C2' parsed_1lai 3
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 40.0 . . 3 . O4' . 3 . C1' . 3 . C2' . 3 . C3' parsed_1lai 3
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -30.0 . . 3 . C1' . 3 . C2' . 3 . C3' . 3 . C4' parsed_1lai 3
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 40.0 . . 3 . C2' . 3 . C3' . 3 . C4' . 3 . O4' parsed_1lai 3
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 15.0 . . 3 . C3' . 3 . C4' . 3 . O4' . 3 . C1' parsed_1lai 3
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.0 0.0 . . 4 . C4' . 4 . O4' . 4 . C1' . 4 . C2' parsed_1lai 3
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 38.0 . . 4 . O4' . 4 . C1' . 4 . C2' . 4 . C3' parsed_1lai 3
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -38.0 . . 4 . C1' . 4 . C2' . 4 . C3' . 4 . C4' parsed_1lai 3
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 38.0 . . 4 . C2' . 4 . C3' . 4 . C4' . 4 . O4' parsed_1lai 3
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.0 0.0 . . 4 . C3' . 4 . C4' . 4 . O4' . 4 . C1' parsed_1lai 3
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 12.0 . . 5 . C4' . 5 . O4' . 5 . C1' . 5 . C2' parsed_1lai 3
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 40.0 . . 5 . O4' . 5 . C1' . 5 . C2' . 5 . C3' parsed_1lai 3
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -30.0 . . 5 . C1' . 5 . C2' . 5 . C3' . 5 . C4' parsed_1lai 3
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 40.0 . . 5 . C2' . 5 . C3' . 5 . C4' . 5 . O4' parsed_1lai 3
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 15.0 . . 5 . C3' . 5 . C4' . 5 . O4' . 5 . C1' parsed_1lai 3
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.0 10.0 . . 6 . C4' . 6 . O4' . 6 . C1' . 6 . C2' parsed_1lai 3
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 40.0 . . 6 . O4' . 6 . C1' . 6 . C2' . 6 . C3' parsed_1lai 3
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -32.0 . . 6 . C1' . 6 . C2' . 6 . C3' . 6 . C4' parsed_1lai 3
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 40.0 . . 6 . C2' . 6 . C3' . 6 . C4' . 6 . O4' parsed_1lai 3
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.0 4.0 . . 6 . C3' . 6 . C4' . 6 . O4' . 6 . C1' parsed_1lai 3
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 12.0 . . 7 . C4' . 7 . O4' . 7 . C1' . 7 . C2' parsed_1lai 3
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 40.0 . . 7 . O4' . 7 . C1' . 7 . C2' . 7 . C3' parsed_1lai 3
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -30.0 . . 7 . C1' . 7 . C2' . 7 . C3' . 7 . C4' parsed_1lai 3
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 40.0 . . 7 . C2' . 7 . C3' . 7 . C4' . 7 . O4' parsed_1lai 3
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 15.0 . . 7 . C3' . 7 . C4' . 7 . O4' . 7 . C1' parsed_1lai 3
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 1.0 . . 8 . C4' . 8 . O4' . 8 . C1' . 8 . C2' parsed_1lai 3
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 40.0 . . 8 . O4' . 8 . C1' . 8 . C2' . 8 . C3' parsed_1lai 3
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -35.0 . . 8 . C1' . 8 . C2' . 8 . C3' . 8 . C4' parsed_1lai 3
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18.0 38.0 . . 8 . C2' . 8 . C3' . 8 . C4' . 8 . O4' parsed_1lai 3
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.0 8.0 . . 8 . C3' . 8 . C4' . 8 . O4' . 8 . C1' parsed_1lai 3
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -1.0 13.0 . . 9 . C4' . 9 . O4' . 9 . C1' . 9 . C2' parsed_1lai 3
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 38.0 . . 9 . O4' . 9 . C1' . 9 . C2' . 9 . C3' parsed_1lai 3
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -32.0 . . 9 . C1' . 9 . C2' . 9 . C3' . 9 . C4' parsed_1lai 3
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23.0 40.0 . . 9 . C2' . 9 . C3' . 9 . C4' . 9 . O4' parsed_1lai 3
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.0 -3.0 . . 9 . C3' . 9 . C4' . 9 . O4' . 9 . C1' parsed_1lai 3
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 7.0 . . 10 . C4' . 10 . O4' . 10 . C1' . 10 . C2' parsed_1lai 3
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 36.0 . . 10 . O4' . 10 . C1' . 10 . C2' . 10 . C3' parsed_1lai 3
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -37.0 . . 10 . C1' . 10 . C2' . 10 . C3' . 10 . C4' parsed_1lai 3
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27.0 38.0 . . 10 . C2' . 10 . C3' . 10 . C4' . 10 . O4' parsed_1lai 3
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.0 -6.0 . . 10 . C3' . 10 . C4' . 10 . O4' . 10 . C1' parsed_1lai 3
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.0 5.0 . . 12 . C4' . 12 . O4' . 12 . C1' . 12 . C2' parsed_1lai 3
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18.0 40.0 . . 12 . O4' . 12 . C1' . 12 . C2' . 12 . C3' parsed_1lai 3
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -37.0 . . 12 . C1' . 12 . C2' . 12 . C3' . 12 . C4' parsed_1lai 3
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 39.0 . . 12 . C2' . 12 . C3' . 12 . C4' . 12 . O4' parsed_1lai 3
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.0 2.0 . . 12 . C3' . 12 . C4' . 12 . O4' . 12 . C1' parsed_1lai 3
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 7.0 . . 13 . C4' . 13 . O4' . 13 . C1' . 13 . C2' parsed_1lai 3
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 36.0 . . 13 . O4' . 13 . C1' . 13 . C2' . 13 . C3' parsed_1lai 3
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -34.0 . . 13 . C1' . 13 . C2' . 13 . C3' . 13 . C4' parsed_1lai 3
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.0 40.0 . . 13 . C2' . 13 . C3' . 13 . C4' . 13 . O4' parsed_1lai 3
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.0 -7.0 . . 13 . C3' . 13 . C4' . 13 . O4' . 13 . C1' parsed_1lai 3
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -19.0 2.0 . . 14 . C4' . 14 . O4' . 14 . C1' . 14 . C2' parsed_1lai 3
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 36.0 . . 14 . O4' . 14 . C1' . 14 . C2' . 14 . C3' parsed_1lai 3
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -37.0 . . 14 . C1' . 14 . C2' . 14 . C3' . 14 . C4' parsed_1lai 3
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27.0 38.0 . . 14 . C2' . 14 . C3' . 14 . C4' . 14 . O4' parsed_1lai 3
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.0 -6.0 . . 14 . C3' . 14 . C4' . 14 . O4' . 14 . C1' parsed_1lai 3
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.0 0.0 . . 16 . C4' . 16 . O4' . 16 . C1' . 16 . C2' parsed_1lai 3
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.0 40.0 . . 16 . O4' . 16 . C1' . 16 . C2' . 16 . C3' parsed_1lai 3
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -37.0 . . 16 . C1' . 16 . C2' . 16 . C3' . 16 . C4' parsed_1lai 3
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18.0 38.0 . . 16 . C2' . 16 . C3' . 16 . C4' . 16 . O4' parsed_1lai 3
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.0 3.0 . . 16 . C3' . 16 . C4' . 16 . O4' . 16 . C1' parsed_1lai 3
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.0 22.0 . . 17 . C4' . 17 . O4' . 17 . C1' . 17 . C2' parsed_1lai 3
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2.0 38.0 . . 17 . O4' . 17 . C1' . 17 . C2' . 17 . C3' parsed_1lai 3
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -25.0 . . 17 . C1' . 17 . C2' . 17 . C3' . 17 . C4' parsed_1lai 3
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 39.0 . . 17 . C2' . 17 . C3' . 17 . C4' . 17 . O4' parsed_1lai 3
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 0.0 . . 17 . C3' . 17 . C4' . 17 . O4' . 17 . C1' parsed_1lai 3
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.0 13.0 . . 18 . C4' . 18 . O4' . 18 . C1' . 18 . C2' parsed_1lai 3
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 39.0 . . 18 . O4' . 18 . C1' . 18 . C2' . 18 . C3' parsed_1lai 3
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -33.0 . . 18 . C1' . 18 . C2' . 18 . C3' . 18 . C4' parsed_1lai 3
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 40.0 . . 18 . C2' . 18 . C3' . 18 . C4' . 18 . O4' parsed_1lai 3
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.0 0.0 . . 18 . C3' . 18 . C4' . 18 . O4' . 18 . C1' parsed_1lai 3
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 15.0 . . 19 . C4' . 19 . O4' . 19 . C1' . 19 . C2' parsed_1lai 3
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 40.0 . . 19 . O4' . 19 . C1' . 19 . C2' . 19 . C3' parsed_1lai 3
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -30.0 . . 19 . C1' . 19 . C2' . 19 . C3' . 19 . C4' parsed_1lai 3
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 40.0 . . 19 . C2' . 19 . C3' . 19 . C4' . 19 . O4' parsed_1lai 3
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 15.0 . . 19 . C3' . 19 . C4' . 19 . O4' . 19 . C1' parsed_1lai 3
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -22.0 15.0 . . 20 . C4' . 20 . O4' . 20 . C1' . 20 . C2' parsed_1lai 3
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8.0 36.0 . . 20 . O4' . 20 . C1' . 20 . C2' . 20 . C3' parsed_1lai 3
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -30.0 . . 20 . C1' . 20 . C2' . 20 . C3' . 20 . C4' parsed_1lai 3
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 40.0 . . 20 . C2' . 20 . C3' . 20 . C4' . 20 . O4' parsed_1lai 3
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 -6.0 . . 20 . C3' . 20 . C4' . 20 . O4' . 20 . C1' parsed_1lai 3
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 15.0 . . 21 . C4' . 21 . O4' . 21 . C1' . 21 . C2' parsed_1lai 3
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 40.0 . . 21 . O4' . 21 . C1' . 21 . C2' . 21 . C3' parsed_1lai 3
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -30.0 . . 21 . C1' . 21 . C2' . 21 . C3' . 21 . C4' parsed_1lai 3
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 40.0 . . 21 . C2' . 21 . C3' . 21 . C4' . 21 . O4' parsed_1lai 3
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 15.0 . . 21 . C3' . 21 . C4' . 21 . O4' . 21 . C1' parsed_1lai 3
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 15.0 . . 22 . C4' . 22 . O4' . 22 . C1' . 22 . C2' parsed_1lai 3
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9.0 40.0 . . 22 . O4' . 22 . C1' . 22 . C2' . 22 . C3' parsed_1lai 3
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -32.0 . . 22 . C1' . 22 . C2' . 22 . C3' . 22 . C4' parsed_1lai 3
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13.0 40.0 . . 22 . C2' . 22 . C3' . 22 . C4' . 22 . O4' parsed_1lai 3
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 10.0 . . 22 . C3' . 22 . C4' . 22 . O4' . 22 . C1' parsed_1lai 3
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.0 3.0 . . 23 . C4' . 23 . O4' . 23 . C1' . 23 . C2' parsed_1lai 3
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 38.0 . . 23 . O4' . 23 . C1' . 23 . C2' . 23 . C3' parsed_1lai 3
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -37.0 . . 23 . C1' . 23 . C2' . 23 . C3' . 23 . C4' parsed_1lai 3
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 40.0 . . 23 . C2' . 23 . C3' . 23 . C4' . 23 . O4' parsed_1lai 3
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 1.0 . . 23 . C3' . 23 . C4' . 23 . O4' . 23 . C1' parsed_1lai 3
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.0 5.0 . . 25 . C4' . 25 . O4' . 25 . C1' . 25 . C2' parsed_1lai 3
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18.0 40.0 . . 25 . O4' . 25 . C1' . 25 . C2' . 25 . C3' parsed_1lai 3
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -37.0 . . 25 . C1' . 25 . C2' . 25 . C3' . 25 . C4' parsed_1lai 3
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 39.0 . . 25 . C2' . 25 . C3' . 25 . C4' . 25 . O4' parsed_1lai 3
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.0 2.0 . . 25 . C3' . 25 . C4' . 25 . O4' . 25 . C1' parsed_1lai 3
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 7.0 . . 26 . C4' . 26 . O4' . 26 . C1' . 26 . C2' parsed_1lai 3
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 36.0 . . 26 . O4' . 26 . C1' . 26 . C2' . 26 . C3' parsed_1lai 3
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -34.0 . . 26 . C1' . 26 . C2' . 26 . C3' . 26 . C4' parsed_1lai 3
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.0 40.0 . . 26 . C2' . 26 . C3' . 26 . C4' . 26 . O4' parsed_1lai 3
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.0 -7.0 . . 26 . C3' . 26 . C4' . 26 . O4' . 26 . C1' parsed_1lai 3
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save_MR_file_comment_20
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1lai
_Org_constr_file_comment.ID 11
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 20
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on echo=on end
;
save_
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