NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
577881 |
2mh6   |
19620 | cing | 2-parsed | STAR | entry | full | 322 |
data_2mh6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mh6
_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_2mh6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mh6
_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 2mh6 "Master copy" parsed_2mh6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mh6
_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 2mh6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mh6 1
1 2mh6.mr . . XPLOR/CNS 2 distance NOE simple 197 parsed_2mh6 1
1 2mh6.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 125 parsed_2mh6 1
1 2mh6.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mh6 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_2mh6
_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 18-NOV-13 2MH6
*TITLE SOLUTION STRUCTURE OF DNA DUPLEX CONTAINING N3T-ETHYLENE-N1I
*TITLE 2 INTERSTRAND CROSS-LINK
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: 5'-D(*CP*AP*GP*TP*TP*CP*CP*A)-3';
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 MOL_ID: 2;
*COMPND 6 MOLECULE: 5'-D(*TP*GP*GP*AP*IP*CP*TP*G)-3';
*COMPND 7 CHAIN: B;
*COMPND 8 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 MOL_ID: 2;
*SOURCE 4 SYNTHETIC: YES
*KEYWDS DNA DUPLEX, INTERSTRAND CROSS-LINK, DNA
*EXPDTA SOLUTION NMR
*NUMMDL 11
*AUTHOR A.Y.DENISOV, D.K.O'FLAHERTY, A.M.NORONHA, C.J.WILDS
*REVDAT 1 02-JUL-14 2MH6 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mh6
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2mh6 1
2 1 . . . parsed_2mh6 1
3 1 . . . parsed_2mh6 1
4 1 . . . parsed_2mh6 1
5 1 . . . parsed_2mh6 1
6 1 . . . parsed_2mh6 1
7 1 . . . parsed_2mh6 1
8 1 . . . parsed_2mh6 1
9 1 . . . parsed_2mh6 1
10 1 . . . parsed_2mh6 1
11 1 . . . parsed_2mh6 1
12 1 . . . parsed_2mh6 1
13 1 . . . parsed_2mh6 1
14 1 . . . parsed_2mh6 1
15 1 . . . parsed_2mh6 1
16 1 . . . parsed_2mh6 1
17 1 . . . parsed_2mh6 1
18 1 . . . parsed_2mh6 1
19 1 . . . parsed_2mh6 1
20 1 . . . parsed_2mh6 1
21 1 . . . parsed_2mh6 1
22 1 . . . parsed_2mh6 1
23 1 . . . parsed_2mh6 1
24 1 . . . parsed_2mh6 1
25 1 . . . parsed_2mh6 1
26 1 . . . parsed_2mh6 1
27 1 . . . parsed_2mh6 1
28 1 . . . parsed_2mh6 1
29 1 . . . parsed_2mh6 1
30 1 . . . parsed_2mh6 1
31 1 . . . parsed_2mh6 1
32 1 . . . parsed_2mh6 1
33 1 . . . parsed_2mh6 1
34 1 . . . parsed_2mh6 1
35 1 . . . parsed_2mh6 1
36 1 . . . parsed_2mh6 1
37 1 . . . parsed_2mh6 1
38 1 . . . parsed_2mh6 1
39 1 . . . parsed_2mh6 1
40 1 . . . parsed_2mh6 1
41 1 . . . parsed_2mh6 1
42 1 . . . parsed_2mh6 1
43 1 . . . parsed_2mh6 1
44 1 . . . parsed_2mh6 1
45 1 . . . parsed_2mh6 1
46 1 . . . parsed_2mh6 1
47 1 . . . parsed_2mh6 1
48 1 . . . parsed_2mh6 1
49 1 . . . parsed_2mh6 1
50 1 . . . parsed_2mh6 1
51 1 . . . parsed_2mh6 1
52 1 . . . parsed_2mh6 1
53 1 . . . parsed_2mh6 1
54 1 . . . parsed_2mh6 1
55 1 . . . parsed_2mh6 1
56 1 . . . parsed_2mh6 1
57 1 . . . parsed_2mh6 1
58 1 . . . parsed_2mh6 1
59 1 . . . parsed_2mh6 1
60 1 . . . parsed_2mh6 1
61 1 . . . parsed_2mh6 1
62 1 . . . parsed_2mh6 1
63 1 . . . parsed_2mh6 1
64 1 . . . parsed_2mh6 1
65 1 . . . parsed_2mh6 1
66 1 . . . parsed_2mh6 1
67 1 . . . parsed_2mh6 1
68 1 . . . parsed_2mh6 1
69 1 . . . parsed_2mh6 1
70 1 . . . parsed_2mh6 1
71 1 . . . parsed_2mh6 1
72 1 . . . parsed_2mh6 1
73 1 . . . parsed_2mh6 1
74 1 . . . parsed_2mh6 1
75 1 . . . parsed_2mh6 1
76 1 . . . parsed_2mh6 1
77 1 . . . parsed_2mh6 1
78 1 . . . parsed_2mh6 1
79 1 . . . parsed_2mh6 1
80 1 . . . parsed_2mh6 1
81 1 . . . parsed_2mh6 1
82 1 . . . parsed_2mh6 1
83 1 . . . parsed_2mh6 1
84 1 . . . parsed_2mh6 1
85 1 . . . parsed_2mh6 1
86 1 . . . parsed_2mh6 1
87 1 . . . parsed_2mh6 1
88 1 . . . parsed_2mh6 1
89 1 . . . parsed_2mh6 1
90 1 . . . parsed_2mh6 1
91 1 . . . parsed_2mh6 1
92 1 . . . parsed_2mh6 1
93 1 . . . parsed_2mh6 1
94 1 . . . parsed_2mh6 1
95 1 . . . parsed_2mh6 1
96 1 . . . parsed_2mh6 1
97 1 . . . parsed_2mh6 1
98 1 . . . parsed_2mh6 1
99 1 . . . parsed_2mh6 1
100 1 . . . parsed_2mh6 1
101 1 . . . parsed_2mh6 1
102 1 . . . parsed_2mh6 1
103 1 . . . parsed_2mh6 1
104 1 . . . parsed_2mh6 1
105 1 . . . parsed_2mh6 1
106 1 . . . parsed_2mh6 1
107 1 . . . parsed_2mh6 1
108 1 . . . parsed_2mh6 1
109 1 . . . parsed_2mh6 1
110 1 . . . parsed_2mh6 1
111 1 . . . parsed_2mh6 1
112 1 . . . parsed_2mh6 1
113 1 . . . parsed_2mh6 1
114 1 . . . parsed_2mh6 1
115 1 . . . parsed_2mh6 1
116 1 . . . parsed_2mh6 1
117 1 . . . parsed_2mh6 1
118 1 . . . parsed_2mh6 1
119 1 . . . parsed_2mh6 1
120 1 . . . parsed_2mh6 1
121 1 . . . parsed_2mh6 1
122 1 . . . parsed_2mh6 1
123 1 . . . parsed_2mh6 1
124 1 . . . parsed_2mh6 1
125 1 . . . parsed_2mh6 1
126 1 . . . parsed_2mh6 1
127 1 . . . parsed_2mh6 1
128 1 . . . parsed_2mh6 1
129 1 . . . parsed_2mh6 1
130 1 . . . parsed_2mh6 1
131 1 . . . parsed_2mh6 1
132 1 . . . parsed_2mh6 1
133 1 . . . parsed_2mh6 1
134 1 . . . parsed_2mh6 1
135 1 . . . parsed_2mh6 1
136 1 . . . parsed_2mh6 1
137 1 . . . parsed_2mh6 1
138 1 . . . parsed_2mh6 1
139 1 . . . parsed_2mh6 1
140 1 . . . parsed_2mh6 1
141 1 . . . parsed_2mh6 1
142 1 . . . parsed_2mh6 1
143 1 . . . parsed_2mh6 1
144 1 . . . parsed_2mh6 1
145 1 . . . parsed_2mh6 1
146 1 . . . parsed_2mh6 1
147 1 . . . parsed_2mh6 1
148 1 . . . parsed_2mh6 1
149 1 . . . parsed_2mh6 1
150 1 . . . parsed_2mh6 1
151 1 . . . parsed_2mh6 1
152 1 . . . parsed_2mh6 1
153 1 . . . parsed_2mh6 1
154 1 . . . parsed_2mh6 1
155 1 . . . parsed_2mh6 1
156 1 . . . parsed_2mh6 1
157 1 . . . parsed_2mh6 1
158 1 . . . parsed_2mh6 1
159 1 . . . parsed_2mh6 1
160 1 . . . parsed_2mh6 1
161 1 . . . parsed_2mh6 1
162 1 . . . parsed_2mh6 1
163 1 . . . parsed_2mh6 1
164 1 . . . parsed_2mh6 1
165 1 . . . parsed_2mh6 1
166 1 . . . parsed_2mh6 1
167 1 . . . parsed_2mh6 1
168 1 . . . parsed_2mh6 1
169 1 . . . parsed_2mh6 1
170 1 . . . parsed_2mh6 1
171 1 . . . parsed_2mh6 1
172 1 . . . parsed_2mh6 1
173 1 . . . parsed_2mh6 1
174 1 . . . parsed_2mh6 1
175 1 . . . parsed_2mh6 1
176 1 . . . parsed_2mh6 1
177 1 . . . parsed_2mh6 1
178 1 . . . parsed_2mh6 1
179 1 . . . parsed_2mh6 1
180 1 . . . parsed_2mh6 1
181 1 . . . parsed_2mh6 1
182 1 . . . parsed_2mh6 1
183 1 . . . parsed_2mh6 1
184 1 . . . parsed_2mh6 1
185 1 . . . parsed_2mh6 1
186 1 . . . parsed_2mh6 1
187 1 . . . parsed_2mh6 1
188 1 . . . parsed_2mh6 1
189 1 . . . parsed_2mh6 1
190 1 . . . parsed_2mh6 1
191 1 . . . parsed_2mh6 1
192 1 . . . parsed_2mh6 1
193 1 . . . parsed_2mh6 1
194 1 . . . parsed_2mh6 1
195 1 . . . parsed_2mh6 1
196 1 . . . parsed_2mh6 1
197 1 . . . parsed_2mh6 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 . . . . . . . . A 1 . h1' parsed_2mh6 1
1 1 2 . . . . . . . . A 1 . h2' parsed_2mh6 1
2 1 1 . . . . . . . . A 2 . h1' parsed_2mh6 1
2 1 2 . . . . . . . . A 2 . h2' parsed_2mh6 1
3 1 1 . . . . . . . . A 3 . h1' parsed_2mh6 1
3 1 2 . . . . . . . . A 3 . h2' parsed_2mh6 1
4 1 1 . . . . . . . . A 4 . h1' parsed_2mh6 1
4 1 2 . . . . . . . . A 4 . h2' parsed_2mh6 1
5 1 1 . . . . . . . . A 5 . h1' parsed_2mh6 1
5 1 2 . . . . . . . . A 5 . h2' parsed_2mh6 1
6 1 1 . . . . . . . . A 6 . h1' parsed_2mh6 1
6 1 2 . . . . . . . . A 6 . h2' parsed_2mh6 1
7 1 1 . . . . . . . . A 7 . h1' parsed_2mh6 1
7 1 2 . . . . . . . . A 7 . h2' parsed_2mh6 1
8 1 1 . . . . . . . . A 8 . h1' parsed_2mh6 1
8 1 2 . . . . . . . . A 8 . h2' parsed_2mh6 1
9 1 1 . . . . . . . . B 9 . h1' parsed_2mh6 1
9 1 2 . . . . . . . . B 9 . h2' parsed_2mh6 1
10 1 1 . . . . . . . . B 11 . h1' parsed_2mh6 1
10 1 2 . . . . . . . . B 11 . h2' parsed_2mh6 1
11 1 1 . . . . . . . . B 12 . h1' parsed_2mh6 1
11 1 2 . . . . . . . . B 12 . h2' parsed_2mh6 1
12 1 1 . . . . . . . . B 13 . h1' parsed_2mh6 1
12 1 2 . . . . . . . . B 13 . h2' parsed_2mh6 1
13 1 1 . . . . . . . . B 14 . h1' parsed_2mh6 1
13 1 2 . . . . . . . . B 14 . h2' parsed_2mh6 1
14 1 1 . . . . . . . . B 15 . h1' parsed_2mh6 1
14 1 2 . . . . . . . . B 15 . h2' parsed_2mh6 1
15 1 1 . . . . . . . . B 16 . h1' parsed_2mh6 1
15 1 2 . . . . . . . . B 16 . h2' parsed_2mh6 1
16 1 1 . . . . . . . . A 1 . h1' parsed_2mh6 1
16 1 2 . . . . . . . . A 1 . h2'' parsed_2mh6 1
17 1 1 . . . . . . . . A 2 . h1' parsed_2mh6 1
17 1 2 . . . . . . . . A 2 . h2'' parsed_2mh6 1
18 1 1 . . . . . . . . A 3 . h1' parsed_2mh6 1
18 1 2 . . . . . . . . A 3 . h2'' parsed_2mh6 1
19 1 1 . . . . . . . . A 4 . h1' parsed_2mh6 1
19 1 2 . . . . . . . . A 4 . h2'' parsed_2mh6 1
20 1 1 . . . . . . . . A 5 . h1' parsed_2mh6 1
20 1 2 . . . . . . . . A 5 . h2'' parsed_2mh6 1
21 1 1 . . . . . . . . A 6 . h1' parsed_2mh6 1
21 1 2 . . . . . . . . A 6 . h2'' parsed_2mh6 1
22 1 1 . . . . . . . . A 7 . h1' parsed_2mh6 1
22 1 2 . . . . . . . . A 7 . h2'' parsed_2mh6 1
23 1 1 . . . . . . . . A 8 . h1' parsed_2mh6 1
23 1 2 . . . . . . . . A 8 . h2'' parsed_2mh6 1
24 1 1 . . . . . . . . B 9 . h1' parsed_2mh6 1
24 1 2 . . . . . . . . B 9 . h2'' parsed_2mh6 1
25 1 1 . . . . . . . . B 10 . h1' parsed_2mh6 1
25 1 2 . . . . . . . . B 10 . h2'' parsed_2mh6 1
26 1 1 . . . . . . . . B 11 . h1' parsed_2mh6 1
26 1 2 . . . . . . . . B 11 . h2'' parsed_2mh6 1
27 1 1 . . . . . . . . B 12 . h1' parsed_2mh6 1
27 1 2 . . . . . . . . B 12 . h2'' parsed_2mh6 1
28 1 1 . . . . . . . . B 13 . h1' parsed_2mh6 1
28 1 2 . . . . . . . . B 13 . h2'' parsed_2mh6 1
29 1 1 . . . . . . . . B 14 . h1' parsed_2mh6 1
29 1 2 . . . . . . . . B 14 . h2'' parsed_2mh6 1
30 1 1 . . . . . . . . B 15 . h1' parsed_2mh6 1
30 1 2 . . . . . . . . B 15 . h2'' parsed_2mh6 1
31 1 1 . . . . . . . . B 16 . h1' parsed_2mh6 1
31 1 2 . . . . . . . . B 16 . h2'' parsed_2mh6 1
32 1 1 . . . . . . . . A 1 . h1' parsed_2mh6 1
32 1 2 . . . . . . . . A 1 . h4' parsed_2mh6 1
33 1 1 . . . . . . . . A 2 . h1' parsed_2mh6 1
33 1 2 . . . . . . . . A 2 . h4' parsed_2mh6 1
34 1 1 . . . . . . . . A 3 . h1' parsed_2mh6 1
34 1 2 . . . . . . . . A 3 . h4' parsed_2mh6 1
35 1 1 . . . . . . . . A 4 . h1' parsed_2mh6 1
35 1 2 . . . . . . . . A 4 . h4' parsed_2mh6 1
36 1 1 . . . . . . . . A 5 . h1' parsed_2mh6 1
36 1 2 . . . . . . . . A 5 . h4' parsed_2mh6 1
37 1 1 . . . . . . . . A 6 . h1' parsed_2mh6 1
37 1 2 . . . . . . . . A 6 . h4' parsed_2mh6 1
38 1 1 . . . . . . . . A 7 . h1' parsed_2mh6 1
38 1 2 . . . . . . . . A 7 . h4' parsed_2mh6 1
39 1 1 . . . . . . . . A 8 . h1' parsed_2mh6 1
39 1 2 . . . . . . . . A 8 . h4' parsed_2mh6 1
40 1 1 . . . . . . . . B 9 . h1' parsed_2mh6 1
40 1 2 . . . . . . . . B 9 . h4' parsed_2mh6 1
41 1 1 . . . . . . . . B 10 . h1' parsed_2mh6 1
41 1 2 . . . . . . . . B 10 . h4' parsed_2mh6 1
42 1 1 . . . . . . . . B 11 . h1' parsed_2mh6 1
42 1 2 . . . . . . . . B 11 . h4' parsed_2mh6 1
43 1 1 . . . . . . . . B 12 . h1' parsed_2mh6 1
43 1 2 . . . . . . . . B 12 . h4' parsed_2mh6 1
44 1 1 . . . . . . . . B 13 . h1' parsed_2mh6 1
44 1 2 . . . . . . . . B 13 . h4' parsed_2mh6 1
45 1 1 . . . . . . . . B 14 . h1' parsed_2mh6 1
45 1 2 . . . . . . . . B 14 . h4' parsed_2mh6 1
46 1 1 . . . . . . . . B 15 . h1' parsed_2mh6 1
46 1 2 . . . . . . . . B 15 . h4' parsed_2mh6 1
47 1 1 . . . . . . . . B 16 . h1' parsed_2mh6 1
47 1 2 . . . . . . . . B 16 . h4' parsed_2mh6 1
48 1 1 . . . . . . . . A 1 . h1' parsed_2mh6 1
48 1 2 . . . . . . . . A 1 . h6 parsed_2mh6 1
49 1 1 . . . . . . . . A 2 . h1' parsed_2mh6 1
49 1 2 . . . . . . . . A 2 . h8 parsed_2mh6 1
50 1 1 . . . . . . . . A 3 . h1' parsed_2mh6 1
50 1 2 . . . . . . . . A 3 . h8 parsed_2mh6 1
51 1 1 . . . . . . . . A 4 . h1' parsed_2mh6 1
51 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1
52 1 1 . . . . . . . . A 5 . h1' parsed_2mh6 1
52 1 2 . . . . . . . . A 5 . h6 parsed_2mh6 1
53 1 1 . . . . . . . . A 6 . h1' parsed_2mh6 1
53 1 2 . . . . . . . . A 6 . h6 parsed_2mh6 1
54 1 1 . . . . . . . . A 7 . h1' parsed_2mh6 1
54 1 2 . . . . . . . . A 7 . h6 parsed_2mh6 1
55 1 1 . . . . . . . . A 8 . h1' parsed_2mh6 1
55 1 2 . . . . . . . . A 8 . h8 parsed_2mh6 1
56 1 1 . . . . . . . . B 9 . h1' parsed_2mh6 1
56 1 2 . . . . . . . . B 9 . h6 parsed_2mh6 1
57 1 1 . . . . . . . . B 10 . h1' parsed_2mh6 1
57 1 2 . . . . . . . . B 10 . h8 parsed_2mh6 1
58 1 1 . . . . . . . . B 11 . h1' parsed_2mh6 1
58 1 2 . . . . . . . . B 11 . h8 parsed_2mh6 1
59 1 1 . . . . . . . . B 12 . h1' parsed_2mh6 1
59 1 2 . . . . . . . . B 12 . h8 parsed_2mh6 1
60 1 1 . . . . . . . . B 13 . h1' parsed_2mh6 1
60 1 2 . . . . . . . . B 13 . h8 parsed_2mh6 1
61 1 1 . . . . . . . . B 14 . h1' parsed_2mh6 1
61 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1
62 1 1 . . . . . . . . B 15 . h1' parsed_2mh6 1
62 1 2 . . . . . . . . B 15 . h6 parsed_2mh6 1
63 1 1 . . . . . . . . B 16 . h1' parsed_2mh6 1
63 1 2 . . . . . . . . B 16 . h8 parsed_2mh6 1
64 1 1 . . . . . . . . A 1 . h2' parsed_2mh6 1
64 1 2 . . . . . . . . A 1 . h6 parsed_2mh6 1
65 1 1 . . . . . . . . A 2 . h2' parsed_2mh6 1
65 1 2 . . . . . . . . A 2 . h8 parsed_2mh6 1
66 1 1 . . . . . . . . A 3 . h2' parsed_2mh6 1
66 1 2 . . . . . . . . A 3 . h8 parsed_2mh6 1
67 1 1 . . . . . . . . A 4 . h2' parsed_2mh6 1
67 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1
68 1 1 . . . . . . . . A 5 . h2' parsed_2mh6 1
68 1 2 . . . . . . . . A 5 . h6 parsed_2mh6 1
69 1 1 . . . . . . . . A 6 . h2' parsed_2mh6 1
69 1 2 . . . . . . . . A 6 . h6 parsed_2mh6 1
70 1 1 . . . . . . . . A 7 . h2' parsed_2mh6 1
70 1 2 . . . . . . . . A 7 . h6 parsed_2mh6 1
71 1 1 . . . . . . . . A 8 . h2' parsed_2mh6 1
71 1 2 . . . . . . . . A 8 . h8 parsed_2mh6 1
72 1 1 . . . . . . . . B 9 . h2' parsed_2mh6 1
72 1 2 . . . . . . . . B 9 . h6 parsed_2mh6 1
73 1 1 . . . . . . . . B 10 . h2' parsed_2mh6 1
73 1 2 . . . . . . . . B 10 . h8 parsed_2mh6 1
74 1 1 . . . . . . . . B 11 . h2' parsed_2mh6 1
74 1 2 . . . . . . . . B 11 . h8 parsed_2mh6 1
75 1 1 . . . . . . . . B 12 . h2' parsed_2mh6 1
75 1 2 . . . . . . . . B 12 . h8 parsed_2mh6 1
76 1 1 . . . . . . . . B 13 . h2' parsed_2mh6 1
76 1 2 . . . . . . . . B 13 . h8 parsed_2mh6 1
77 1 1 . . . . . . . . B 14 . h2' parsed_2mh6 1
77 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1
78 1 1 . . . . . . . . B 15 . h2' parsed_2mh6 1
78 1 2 . . . . . . . . B 15 . h6 parsed_2mh6 1
79 1 1 . . . . . . . . B 16 . h2' parsed_2mh6 1
79 1 2 . . . . . . . . B 16 . h8 parsed_2mh6 1
80 1 1 . . . . . . . . A 1 . h2'' parsed_2mh6 1
80 1 2 . . . . . . . . A 1 . h6 parsed_2mh6 1
81 1 1 . . . . . . . . A 2 . h2'' parsed_2mh6 1
81 1 2 . . . . . . . . A 2 . h8 parsed_2mh6 1
82 1 1 . . . . . . . . A 3 . h2'' parsed_2mh6 1
82 1 2 . . . . . . . . A 3 . h8 parsed_2mh6 1
83 1 1 . . . . . . . . A 4 . h2'' parsed_2mh6 1
83 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1
84 1 1 . . . . . . . . A 6 . h2'' parsed_2mh6 1
84 1 2 . . . . . . . . A 6 . h6 parsed_2mh6 1
85 1 1 . . . . . . . . A 7 . h2'' parsed_2mh6 1
85 1 2 . . . . . . . . A 7 . h6 parsed_2mh6 1
86 1 1 . . . . . . . . A 8 . h2'' parsed_2mh6 1
86 1 2 . . . . . . . . A 8 . h8 parsed_2mh6 1
87 1 1 . . . . . . . . B 9 . h2'' parsed_2mh6 1
87 1 2 . . . . . . . . B 9 . h6 parsed_2mh6 1
88 1 1 . . . . . . . . B 11 . h2'' parsed_2mh6 1
88 1 2 . . . . . . . . B 11 . h8 parsed_2mh6 1
89 1 1 . . . . . . . . B 12 . h2'' parsed_2mh6 1
89 1 2 . . . . . . . . B 12 . h8 parsed_2mh6 1
90 1 1 . . . . . . . . B 13 . h2'' parsed_2mh6 1
90 1 2 . . . . . . . . B 13 . h8 parsed_2mh6 1
91 1 1 . . . . . . . . B 14 . h2'' parsed_2mh6 1
91 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1
92 1 1 . . . . . . . . B 15 . h2'' parsed_2mh6 1
92 1 2 . . . . . . . . B 15 . h6 parsed_2mh6 1
93 1 1 . . . . . . . . B 16 . h2'' parsed_2mh6 1
93 1 2 . . . . . . . . B 16 . h8 parsed_2mh6 1
94 1 1 . . . . . . . . A 1 . h3' parsed_2mh6 1
94 1 2 . . . . . . . . A 1 . h6 parsed_2mh6 1
95 1 1 . . . . . . . . A 2 . h3' parsed_2mh6 1
95 1 2 . . . . . . . . A 2 . h8 parsed_2mh6 1
96 1 1 . . . . . . . . A 3 . h3' parsed_2mh6 1
96 1 2 . . . . . . . . A 3 . h8 parsed_2mh6 1
97 1 1 . . . . . . . . A 4 . h3' parsed_2mh6 1
97 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1
98 1 1 . . . . . . . . A 5 . h3' parsed_2mh6 1
98 1 2 . . . . . . . . A 5 . h6 parsed_2mh6 1
99 1 1 . . . . . . . . A 6 . h3' parsed_2mh6 1
99 1 2 . . . . . . . . A 6 . h6 parsed_2mh6 1
100 1 1 . . . . . . . . A 7 . h3' parsed_2mh6 1
100 1 2 . . . . . . . . A 7 . h6 parsed_2mh6 1
101 1 1 . . . . . . . . A 8 . h3' parsed_2mh6 1
101 1 2 . . . . . . . . A 8 . h8 parsed_2mh6 1
102 1 1 . . . . . . . . B 9 . h3' parsed_2mh6 1
102 1 2 . . . . . . . . B 9 . h6 parsed_2mh6 1
103 1 1 . . . . . . . . B 10 . h3' parsed_2mh6 1
103 1 2 . . . . . . . . B 10 . h8 parsed_2mh6 1
104 1 1 . . . . . . . . B 11 . h3' parsed_2mh6 1
104 1 2 . . . . . . . . B 11 . h8 parsed_2mh6 1
105 1 1 . . . . . . . . B 12 . h3' parsed_2mh6 1
105 1 2 . . . . . . . . B 12 . h8 parsed_2mh6 1
106 1 1 . . . . . . . . B 13 . h3' parsed_2mh6 1
106 1 2 . . . . . . . . B 13 . h8 parsed_2mh6 1
107 1 1 . . . . . . . . B 14 . h3' parsed_2mh6 1
107 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1
108 1 1 . . . . . . . . B 15 . h3' parsed_2mh6 1
108 1 2 . . . . . . . . B 15 . h6 parsed_2mh6 1
109 1 1 . . . . . . . . B 16 . h3' parsed_2mh6 1
109 1 2 . . . . . . . . B 16 . h8 parsed_2mh6 1
110 1 1 . . . . . . . . A 1 . h1' parsed_2mh6 1
110 1 2 . . . . . . . . A 2 . h8 parsed_2mh6 1
111 1 1 . . . . . . . . A 2 . h1' parsed_2mh6 1
111 1 2 . . . . . . . . A 3 . h8 parsed_2mh6 1
112 1 1 . . . . . . . . A 3 . h1' parsed_2mh6 1
112 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1
113 1 1 . . . . . . . . A 4 . h1' parsed_2mh6 1
113 1 2 . . . . . . . . A 5 . h6 parsed_2mh6 1
114 1 1 . . . . . . . . A 5 . h1' parsed_2mh6 1
114 1 2 . . . . . . . . A 6 . h6 parsed_2mh6 1
115 1 1 . . . . . . . . A 6 . h1' parsed_2mh6 1
115 1 2 . . . . . . . . A 7 . h6 parsed_2mh6 1
116 1 1 . . . . . . . . A 7 . h1' parsed_2mh6 1
116 1 2 . . . . . . . . A 8 . h8 parsed_2mh6 1
117 1 1 . . . . . . . . B 10 . h1' parsed_2mh6 1
117 1 2 . . . . . . . . B 11 . h8 parsed_2mh6 1
118 1 1 . . . . . . . . B 11 . h1' parsed_2mh6 1
118 1 2 . . . . . . . . B 12 . h8 parsed_2mh6 1
119 1 1 . . . . . . . . B 12 . h1' parsed_2mh6 1
119 1 2 . . . . . . . . B 13 . h8 parsed_2mh6 1
120 1 1 . . . . . . . . B 13 . h1' parsed_2mh6 1
120 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1
121 1 1 . . . . . . . . B 14 . h1' parsed_2mh6 1
121 1 2 . . . . . . . . B 15 . h6 parsed_2mh6 1
122 1 1 . . . . . . . . B 15 . h1' parsed_2mh6 1
122 1 2 . . . . . . . . B 16 . h8 parsed_2mh6 1
123 1 1 . . . . . . . . A 1 . h2' parsed_2mh6 1
123 1 2 . . . . . . . . A 2 . h8 parsed_2mh6 1
124 1 1 . . . . . . . . A 2 . h2' parsed_2mh6 1
124 1 2 . . . . . . . . A 3 . h8 parsed_2mh6 1
125 1 1 . . . . . . . . A 3 . h2' parsed_2mh6 1
125 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1
126 1 1 . . . . . . . . A 4 . h2' parsed_2mh6 1
126 1 2 . . . . . . . . A 5 . h6 parsed_2mh6 1
127 1 1 . . . . . . . . A 5 . h2' parsed_2mh6 1
127 1 2 . . . . . . . . A 6 . h6 parsed_2mh6 1
128 1 1 . . . . . . . . A 6 . h2' parsed_2mh6 1
128 1 2 . . . . . . . . A 7 . h6 parsed_2mh6 1
129 1 1 . . . . . . . . B 10 . h2' parsed_2mh6 1
129 1 2 . . . . . . . . B 11 . h8 parsed_2mh6 1
130 1 1 . . . . . . . . B 12 . h2' parsed_2mh6 1
130 1 2 . . . . . . . . B 13 . h8 parsed_2mh6 1
131 1 1 . . . . . . . . B 13 . h2' parsed_2mh6 1
131 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1
132 1 1 . . . . . . . . B 14 . h2' parsed_2mh6 1
132 1 2 . . . . . . . . B 15 . h6 parsed_2mh6 1
133 1 1 . . . . . . . . B 15 . h2' parsed_2mh6 1
133 1 2 . . . . . . . . B 16 . h8 parsed_2mh6 1
134 1 1 . . . . . . . . A 1 . h2'' parsed_2mh6 1
134 1 2 . . . . . . . . A 2 . h8 parsed_2mh6 1
135 1 1 . . . . . . . . A 2 . h2'' parsed_2mh6 1
135 1 2 . . . . . . . . A 3 . h8 parsed_2mh6 1
136 1 1 . . . . . . . . A 3 . h2'' parsed_2mh6 1
136 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1
137 1 1 . . . . . . . . A 4 . h2'' parsed_2mh6 1
137 1 2 . . . . . . . . A 5 . h6 parsed_2mh6 1
138 1 1 . . . . . . . . A 5 . h2'' parsed_2mh6 1
138 1 2 . . . . . . . . A 6 . h6 parsed_2mh6 1
139 1 1 . . . . . . . . A 6 . h2'' parsed_2mh6 1
139 1 2 . . . . . . . . A 7 . h6 parsed_2mh6 1
140 1 1 . . . . . . . . A 7 . h2'' parsed_2mh6 1
140 1 2 . . . . . . . . A 8 . h8 parsed_2mh6 1
141 1 1 . . . . . . . . B 9 . h2'' parsed_2mh6 1
141 1 2 . . . . . . . . B 10 . h8 parsed_2mh6 1
142 1 1 . . . . . . . . B 10 . h2'' parsed_2mh6 1
142 1 2 . . . . . . . . B 11 . h8 parsed_2mh6 1
143 1 1 . . . . . . . . B 11 . h2'' parsed_2mh6 1
143 1 2 . . . . . . . . B 12 . h8 parsed_2mh6 1
144 1 1 . . . . . . . . B 13 . h2'' parsed_2mh6 1
144 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1
145 1 1 . . . . . . . . B 14 . h2'' parsed_2mh6 1
145 1 2 . . . . . . . . B 15 . h6 parsed_2mh6 1
146 1 1 . . . . . . . . A 2 . h3' parsed_2mh6 1
146 1 2 . . . . . . . . A 3 . h8 parsed_2mh6 1
147 1 1 . . . . . . . . A 3 . h3' parsed_2mh6 1
147 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1
148 1 1 . . . . . . . . A 4 . h3' parsed_2mh6 1
148 1 2 . . . . . . . . A 5 . h6 parsed_2mh6 1
149 1 1 . . . . . . . . A 5 . h3' parsed_2mh6 1
149 1 2 . . . . . . . . A 6 . h6 parsed_2mh6 1
150 1 1 . . . . . . . . A 7 . h3' parsed_2mh6 1
150 1 2 . . . . . . . . A 8 . h8 parsed_2mh6 1
151 1 1 . . . . . . . . B 9 . h3' parsed_2mh6 1
151 1 2 . . . . . . . . B 10 . h8 parsed_2mh6 1
152 1 1 . . . . . . . . B 10 . h3' parsed_2mh6 1
152 1 2 . . . . . . . . B 11 . h8 parsed_2mh6 1
153 1 1 . . . . . . . . B 11 . h3' parsed_2mh6 1
153 1 2 . . . . . . . . B 12 . h8 parsed_2mh6 1
154 1 1 . . . . . . . . B 13 . h3' parsed_2mh6 1
154 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1
155 1 1 . . . . . . . . B 14 . h3' parsed_2mh6 1
155 1 2 . . . . . . . . B 15 . h6 parsed_2mh6 1
156 1 1 . . . . . . . . B 15 . h3' parsed_2mh6 1
156 1 2 . . . . . . . . B 16 . h8 parsed_2mh6 1
157 1 1 . . . . . . . . B 12 . h2 parsed_2mh6 1
157 1 2 . . . . . . . . A 6 . h1' parsed_2mh6 1
158 1 1 . . . . . . . . B 13 . h2 parsed_2mh6 1
158 1 2 . . . . . . . . A 5 . h1' parsed_2mh6 1
159 1 1 . . . . . . . . A 2 . h2 parsed_2mh6 1
159 1 2 . . . . . . . . B 16 . h1' parsed_2mh6 1
160 1 1 . . . . . . . . B 14 . h6 parsed_2mh6 1
160 1 2 . . . . . . . . B 15 . h6 parsed_2mh6 1
161 1 1 . . . . . . . . B 13 . h8 parsed_2mh6 1
161 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1
162 1 1 . . . . . . . . A 3 . h8 parsed_2mh6 1
162 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1
163 1 1 . . . . . . . . A 4 . h6 parsed_2mh6 1
163 1 2 . . . . . . . . A 5 . h6 parsed_2mh6 1
164 1 1 . . . . . . . . A 6 . h5 parsed_2mh6 1
164 1 2 . . . . . . . . A 5 . h6 parsed_2mh6 1
165 1 1 . . . . . . . . B 14 . h5 parsed_2mh6 1
165 1 2 . . . . . . . . B 13 . h8 parsed_2mh6 1
166 1 1 . . . . . . . . A 2 . h2 parsed_2mh6 1
166 1 2 . . . . . . . . A 2 . h1' parsed_2mh6 1
167 1 1 . . . . . . . . B 12 . h2 parsed_2mh6 1
167 1 2 . . . . . . . . B 12 . h1' parsed_2mh6 1
168 1 1 . . . . . . . . B 13 . h2 parsed_2mh6 1
168 1 2 . . . . . . . . B 14 . h1' parsed_2mh6 1
169 1 1 . . . . . . . . A 2 . h2 parsed_2mh6 1
169 1 2 . . . . . . . . A 3 . h1' parsed_2mh6 1
170 1 1 . . . . . . . . A 6 . h5 parsed_2mh6 1
170 1 2 . . . . . . . . A 5 . h2' parsed_2mh6 1
171 1 1 . . . . . . . . A 6 . h5 parsed_2mh6 1
171 1 2 . . . . . . . . A 5 . h2'' parsed_2mh6 1
172 1 1 . . . . . . . . A 7 . h5 parsed_2mh6 1
172 1 2 . . . . . . . . A 6 . h2' parsed_2mh6 1
173 1 1 . . . . . . . . A 7 . h5 parsed_2mh6 1
173 1 2 . . . . . . . . A 6 . h2'' parsed_2mh6 1
174 1 1 . . . . . . . . B 14 . h5 parsed_2mh6 1
174 1 2 . . . . . . . . B 13 . h2' parsed_2mh6 1
175 1 1 . . . . . . . . B 14 . h5 parsed_2mh6 1
175 1 2 . . . . . . . . B 13 . h2'' parsed_2mh6 1
176 1 1 . . . . . . . . A 4 . h7# parsed_2mh6 1
176 1 2 . . . . . . . . A 3 . h1' parsed_2mh6 1
177 1 1 . . . . . . . . A 4 . h7# parsed_2mh6 1
177 1 2 . . . . . . . . A 3 . h2' parsed_2mh6 1
178 1 1 . . . . . . . . A 4 . h7# parsed_2mh6 1
178 1 2 . . . . . . . . A 3 . h2'' parsed_2mh6 1
179 1 1 . . . . . . . . A 4 . h7# parsed_2mh6 1
179 1 2 . . . . . . . . A 3 . h8 parsed_2mh6 1
180 1 1 . . . . . . . . A 5 . h7# parsed_2mh6 1
180 1 2 . . . . . . . . A 4 . h1' parsed_2mh6 1
181 1 1 . . . . . . . . A 5 . h7# parsed_2mh6 1
181 1 2 . . . . . . . . A 4 . h2'' parsed_2mh6 1
182 1 1 . . . . . . . . A 5 . h7# parsed_2mh6 1
182 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1
183 1 1 . . . . . . . . A 5 . h7# parsed_2mh6 1
183 1 2 . . . . . . . . A 6 . h5 parsed_2mh6 1
184 1 1 . . . . . . . . B 15 . h7# parsed_2mh6 1
184 1 2 . . . . . . . . B 14 . h1' parsed_2mh6 1
185 1 1 . . . . . . . . B 15 . h7# parsed_2mh6 1
185 1 2 . . . . . . . . B 14 . h2'' parsed_2mh6 1
186 1 1 . . . . . . . . B 15 . h7# parsed_2mh6 1
186 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1
187 1 1 . . . . . . . . B 15 . h7# parsed_2mh6 1
187 1 2 . . . . . . . . B 14 . h5 parsed_2mh6 1
188 1 1 . . . . . . . . B 13 . h1# parsed_2mh6 1
188 1 2 . . . . . . . . B 12 . h2 parsed_2mh6 1
189 1 1 . . . . . . . . A 4 . h1# parsed_2mh6 1
189 1 2 . . . . . . . . B 13 . h2 parsed_2mh6 1
190 1 1 . . . . . . . . B 13 . h1# parsed_2mh6 1
190 1 2 . . . . . . . . B 13 . h2 parsed_2mh6 1
191 1 1 . . . . . . . . A 4 . h1# parsed_2mh6 1
191 1 2 . . . . . . . . A 3 . h1 parsed_2mh6 1
192 1 1 . . . . . . . . B 13 . h1# parsed_2mh6 1
192 1 2 . . . . . . . . A 5 . h3 parsed_2mh6 1
193 1 1 . . . . . . . . A 3 . h1 parsed_2mh6 1
193 1 2 . . . . . . . . A 2 . h2 parsed_2mh6 1
194 1 1 . . . . . . . . A 3 . h1 parsed_2mh6 1
194 1 2 . . . . . . . . B 13 . h2 parsed_2mh6 1
195 1 1 . . . . . . . . A 5 . h3 parsed_2mh6 1
195 1 2 . . . . . . . . B 13 . h2 parsed_2mh6 1
196 1 1 . . . . . . . . B 11 . h1 parsed_2mh6 1
196 1 2 . . . . . . . . B 12 . h2 parsed_2mh6 1
197 1 1 . . . . . . . . B 10 . h1 parsed_2mh6 1
197 1 2 . . . . . . . . A 8 . h2 parsed_2mh6 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 . . . . . 3.1 2.8 3.4 parsed_2mh6 1
2 1 . . . . . 2.8 2.5 3.1 parsed_2mh6 1
3 1 . . . . . 2.9 2.6 3.2 parsed_2mh6 1
4 1 . . . . . 3.0 2.7 3.3 parsed_2mh6 1
5 1 . . . . . 2.9 2.6 3.2 parsed_2mh6 1
6 1 . . . . . 3.1 2.8 3.4 parsed_2mh6 1
7 1 . . . . . 2.9 2.6 3.2 parsed_2mh6 1
8 1 . . . . . 3.1 2.8 3.4 parsed_2mh6 1
9 1 . . . . . 3.1 2.8 3.4 parsed_2mh6 1
10 1 . . . . . 2.8 2.5 3.1 parsed_2mh6 1
11 1 . . . . . 2.8 2.5 3.1 parsed_2mh6 1
12 1 . . . . . 2.8 2.5 3.1 parsed_2mh6 1
13 1 . . . . . 2.8 2.5 3.1 parsed_2mh6 1
14 1 . . . . . 2.8 2.5 3.1 parsed_2mh6 1
15 1 . . . . . 2.9 2.6 3.2 parsed_2mh6 1
16 1 . . . . . 2.5 2.3 2.7 parsed_2mh6 1
17 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1
18 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1
19 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1
20 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1
21 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1
22 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1
23 1 . . . . . 2.5 2.3 2.7 parsed_2mh6 1
24 1 . . . . . 2.5 2.3 2.7 parsed_2mh6 1
25 1 . . . . . 2.3 2.1 2.5 parsed_2mh6 1
26 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1
27 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1
28 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1
29 1 . . . . . 2.3 2.1 2.5 parsed_2mh6 1
30 1 . . . . . 2.3 2.1 2.5 parsed_2mh6 1
31 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1
32 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1
33 1 . . . . . 3.1 2.8 3.6 parsed_2mh6 1
34 1 . . . . . 3.0 2.7 3.5 parsed_2mh6 1
35 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1
36 1 . . . . . 3.0 2.7 3.5 parsed_2mh6 1
37 1 . . . . . 2.9 2.6 3.4 parsed_2mh6 1
38 1 . . . . . 2.9 2.6 3.4 parsed_2mh6 1
39 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1
40 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1
41 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1
42 1 . . . . . 3.1 2.8 3.6 parsed_2mh6 1
43 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1
44 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1
45 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1
46 1 . . . . . 2.9 2.6 3.4 parsed_2mh6 1
47 1 . . . . . 3.1 2.8 3.6 parsed_2mh6 1
48 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1
49 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1
50 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1
51 1 . . . . . 3.5 3.2 4.0 parsed_2mh6 1
52 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1
53 1 . . . . . 3.5 3.2 4.0 parsed_2mh6 1
54 1 . . . . . 3.5 3.2 4.0 parsed_2mh6 1
55 1 . . . . . 3.5 3.2 4.0 parsed_2mh6 1
56 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1
57 1 . . . . . 3.5 3.2 4.0 parsed_2mh6 1
58 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1
59 1 . . . . . 3.5 3.2 4.0 parsed_2mh6 1
60 1 . . . . . 3.5 3.2 4.0 parsed_2mh6 1
61 1 . . . . . 3.5 3.2 4.0 parsed_2mh6 1
62 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1
63 1 . . . . . 3.5 3.2 4.0 parsed_2mh6 1
64 1 . . . . . 2.5 2.3 2.8 parsed_2mh6 1
65 1 . . . . . 2.3 2.1 2.6 parsed_2mh6 1
66 1 . . . . . 2.4 2.2 2.7 parsed_2mh6 1
67 1 . . . . . 2.4 2.2 2.7 parsed_2mh6 1
68 1 . . . . . 2.3 2.1 2.6 parsed_2mh6 1
69 1 . . . . . 2.3 2.1 2.6 parsed_2mh6 1
70 1 . . . . . 2.3 2.1 2.6 parsed_2mh6 1
71 1 . . . . . 2.5 2.3 2.8 parsed_2mh6 1
72 1 . . . . . 2.5 2.3 2.8 parsed_2mh6 1
73 1 . . . . . 2.4 2.2 2.7 parsed_2mh6 1
74 1 . . . . . 2.3 2.1 2.6 parsed_2mh6 1
75 1 . . . . . 2.3 2.1 2.6 parsed_2mh6 1
76 1 . . . . . 2.3 2.1 2.6 parsed_2mh6 1
77 1 . . . . . 2.5 2.3 2.8 parsed_2mh6 1
78 1 . . . . . 2.3 2.1 2.6 parsed_2mh6 1
79 1 . . . . . 2.3 2.1 2.6 parsed_2mh6 1
80 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1
81 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1
82 1 . . . . . 3.1 2.8 3.6 parsed_2mh6 1
83 1 . . . . . 3.1 2.8 3.6 parsed_2mh6 1
84 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1
85 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1
86 1 . . . . . 3.6 3.1 4.3 parsed_2mh6 1
87 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1
88 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1
89 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1
90 1 . . . . . 3.0 2.7 3.5 parsed_2mh6 1
91 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1
92 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1
93 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1
94 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1
95 1 . . . . . 3.3 2.8 4.0 parsed_2mh6 1
96 1 . . . . . 3.3 2.8 4.0 parsed_2mh6 1
97 1 . . . . . 3.2 2.7 3.9 parsed_2mh6 1
98 1 . . . . . 3.1 2.6 3.8 parsed_2mh6 1
99 1 . . . . . 3.1 2.6 3.8 parsed_2mh6 1
100 1 . . . . . 3.1 2.6 3.8 parsed_2mh6 1
101 1 . . . . . 3.1 2.6 3.8 parsed_2mh6 1
102 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1
103 1 . . . . . 3.3 2.8 4.0 parsed_2mh6 1
104 1 . . . . . 3.4 2.9 4.1 parsed_2mh6 1
105 1 . . . . . 3.3 2.8 4.0 parsed_2mh6 1
106 1 . . . . . 3.1 2.6 3.8 parsed_2mh6 1
107 1 . . . . . 3.1 2.6 3.8 parsed_2mh6 1
108 1 . . . . . 3.1 2.6 3.8 parsed_2mh6 1
109 1 . . . . . 3.3 2.8 4.0 parsed_2mh6 1
110 1 . . . . . 4.0 3.5 4.7 parsed_2mh6 1
111 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1
112 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1
113 1 . . . . . 3.8 3.3 4.5 parsed_2mh6 1
114 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1
115 1 . . . . . 3.8 3.3 4.5 parsed_2mh6 1
116 1 . . . . . 4.0 3.5 4.7 parsed_2mh6 1
117 1 . . . . . 3.4 2.9 4.1 parsed_2mh6 1
118 1 . . . . . 3.4 2.9 4.1 parsed_2mh6 1
119 1 . . . . . 3.6 3.1 4.3 parsed_2mh6 1
120 1 . . . . . 3.1 2.8 3.6 parsed_2mh6 1
121 1 . . . . . 4.0 3.5 4.7 parsed_2mh6 1
122 1 . . . . . 4.0 3.5 4.7 parsed_2mh6 1
123 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1
124 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1
125 1 . . . . . 3.1 2.8 3.6 parsed_2mh6 1
126 1 . . . . . 2.9 2.6 3.4 parsed_2mh6 1
127 1 . . . . . 3.0 2.7 3.5 parsed_2mh6 1
128 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1
129 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1
130 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1
131 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1
132 1 . . . . . 3.0 2.7 3.5 parsed_2mh6 1
133 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1
134 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1
135 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1
136 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1
137 1 . . . . . 3.0 2.5 3.7 parsed_2mh6 1
138 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1
139 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1
140 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1
141 1 . . . . . 3.8 3.3 4.5 parsed_2mh6 1
142 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1
143 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1
144 1 . . . . . 2.7 2.4 3.2 parsed_2mh6 1
145 1 . . . . . 2.9 2.6 3.4 parsed_2mh6 1
146 1 . . . . . 4.1 3.4 5.1 parsed_2mh6 1
147 1 . . . . . 3.8 3.3 4.5 parsed_2mh6 1
148 1 . . . . . 3.8 3.3 4.5 parsed_2mh6 1
149 1 . . . . . 4.0 3.5 4.7 parsed_2mh6 1
150 1 . . . . . 4.1 3.4 5.1 parsed_2mh6 1
151 1 . . . . . 4.0 3.5 4.7 parsed_2mh6 1
152 1 . . . . . 4.3 3.6 5.3 parsed_2mh6 1
153 1 . . . . . 4.2 3.5 5.2 parsed_2mh6 1
154 1 . . . . . 4.0 3.5 4.7 parsed_2mh6 1
155 1 . . . . . 3.8 3.3 4.5 parsed_2mh6 1
156 1 . . . . . 4.1 3.4 5.1 parsed_2mh6 1
157 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1
158 1 . . . . . 5.0 4.5 6.0 parsed_2mh6 1
159 1 . . . . . 5.0 4.5 6.0 parsed_2mh6 1
160 1 . . . . . 4.2 3.5 5.2 parsed_2mh6 1
161 1 . . . . . 4.1 3.4 5.1 parsed_2mh6 1
162 1 . . . . . 4.1 3.4 5.1 parsed_2mh6 1
163 1 . . . . . 3.9 3.4 4.6 parsed_2mh6 1
164 1 . . . . . 3.6 3.1 4.3 parsed_2mh6 1
165 1 . . . . . 3.6 3.1 4.3 parsed_2mh6 1
166 1 . . . . . 4.2 3.5 5.2 parsed_2mh6 1
167 1 . . . . . 4.1 3.4 5.1 parsed_2mh6 1
168 1 . . . . . 3.8 3.3 4.5 parsed_2mh6 1
169 1 . . . . . 4.0 3.5 4.7 parsed_2mh6 1
170 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1
171 1 . . . . . 3.4 2.9 4.1 parsed_2mh6 1
172 1 . . . . . 3.4 2.9 4.1 parsed_2mh6 1
173 1 . . . . . 3.7 3.2 4.4 parsed_2mh6 1
174 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1
175 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1
176 1 . . . . . 4.2 3.5 5.2 parsed_2mh6 1
177 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1
178 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1
179 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1
180 1 . . . . . 4.3 3.6 5.3 parsed_2mh6 1
181 1 . . . . . 3.4 2.9 4.1 parsed_2mh6 1
182 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1
183 1 . . . . . 4.2 3.5 5.2 parsed_2mh6 1
184 1 . . . . . 4.2 3.5 5.2 parsed_2mh6 1
185 1 . . . . . 4.0 3.5 4.7 parsed_2mh6 1
186 1 . . . . . 3.4 2.9 4.1 parsed_2mh6 1
187 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1
188 1 . . . . . 3.8 3.3 4.5 parsed_2mh6 1
189 1 . . . . . 2.9 2.6 3.4 parsed_2mh6 1
190 1 . . . . . 2.3 2.0 2.8 parsed_2mh6 1
191 1 . . . . . 2.9 2.4 3.6 parsed_2mh6 1
192 1 . . . . . 3.2 2.7 3.9 parsed_2mh6 1
193 1 . . . . . 4.3 3.6 5.3 parsed_2mh6 1
194 1 . . . . . 3.9 3.2 4.9 parsed_2mh6 1
195 1 . . . . . 3.7 3.0 4.7 parsed_2mh6 1
196 1 . . . . . 3.5 2.8 4.5 parsed_2mh6 1
197 1 . . . . . 3.7 3.0 4.7 parsed_2mh6 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
;
------------------------------------------------------------------------------------------
XL-IT cross-linked DNA duplex (constraints for CNS)
------------------------------------------------------------------------------------------
NOE DISTANCE CONSTRAINTS
intrasugar
H1'-H2'
;
1 1 10 9 parsed_2mh6 1
2 H1'-H2" 29 1 29 10 parsed_2mh6 1
3 H1'-H4' 49 1 49 10 parsed_2mh6 1
4
;
intraresidual base-to-sugar
H1'-H6/H8
;
71 1 74 12 parsed_2mh6 1
5 H2'-H6/H8 94 1 94 12 parsed_2mh6 1
6 H2''-H6/H8 115 1 115 13 parsed_2mh6 1
7 H3'-H6/H8 133 1 133 12 parsed_2mh6 1
8
;
sequential
H1'-H6/H8
;
153 1 155 12 parsed_2mh6 1
9 H2'-H6/H8 172 1 172 12 parsed_2mh6 1
10 H2''-H6/H8 187 1 187 13 parsed_2mh6 1
11 H3'-H6/H8 204 1 204 12 parsed_2mh6 1
12 other 219 1 219 7 parsed_2mh6 1
13 linker 271 1 271 8 parsed_2mh6 1
14 "with imino protons" 279 1 279 20 parsed_2mh6 1
15 ------------------------------------------------------------------------------------------ 291 1 291 92 parsed_2mh6 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mh6
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 2 . p A 2 . o5' A 2 . c5' A 2 . c4' parsed_2mh6 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 3 . p A 3 . o5' A 3 . c5' A 3 . c4' parsed_2mh6 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 4 . p A 4 . o5' A 4 . c5' A 4 . c4' parsed_2mh6 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 5 . p A 5 . o5' A 5 . c5' A 5 . c4' parsed_2mh6 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . A 6 . p A 6 . o5' A 6 . c5' A 6 . c4' parsed_2mh6 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 7 . p A 7 . o5' A 7 . c5' A 7 . c4' parsed_2mh6 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 8 . p A 8 . o5' A 8 . c5' A 8 . c4' parsed_2mh6 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 10 . p B 10 . o5' B 10 . c5' B 10 . c4' parsed_2mh6 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 11 . p B 11 . o5' B 11 . c5' B 11 . c4' parsed_2mh6 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 12 . p B 12 . o5' B 12 . c5' B 12 . c4' parsed_2mh6 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 13 . p B 13 . o5' B 13 . c5' B 13 . c4' parsed_2mh6 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 14 . p B 14 . o5' B 14 . c5' B 14 . c4' parsed_2mh6 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 15 . p B 15 . o5' B 15 . c5' B 15 . c4' parsed_2mh6 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 16 . p B 16 . o5' B 16 . c5' B 16 . c4' parsed_2mh6 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 1 . o5' A 1 . c5' A 1 . c4' A 1 . c3' parsed_2mh6 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 2 . o5' A 2 . c5' A 2 . c4' A 2 . c3' parsed_2mh6 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 3 . o5' A 3 . c5' A 3 . c4' A 3 . c3' parsed_2mh6 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 4 . o5' A 4 . c5' A 4 . c4' A 4 . c3' parsed_2mh6 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 5 . o5' A 5 . c5' A 5 . c4' A 5 . c3' parsed_2mh6 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 6 . o5' A 6 . c5' A 6 . c4' A 6 . c3' parsed_2mh6 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 7 . o5' A 7 . c5' A 7 . c4' A 7 . c3' parsed_2mh6 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 8 . o5' A 8 . c5' A 8 . c4' A 8 . c3' parsed_2mh6 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 9 . o5' B 9 . c5' B 9 . c4' B 9 . c3' parsed_2mh6 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 10 . o5' B 10 . c5' B 10 . c4' B 10 . c3' parsed_2mh6 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 11 . o5' B 11 . c5' B 11 . c4' B 11 . c3' parsed_2mh6 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 12 . o5' B 12 . c5' B 12 . c4' B 12 . c3' parsed_2mh6 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 13 . o5' B 13 . c5' B 13 . c4' B 13 . c3' parsed_2mh6 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 140.0 . B 14 . o5' B 14 . c5' B 14 . c4' B 14 . c3' parsed_2mh6 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 380.0 . B 14 . o5' B 14 . c5' B 14 . c4' B 14 . c3' parsed_2mh6 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 15 . o5' B 15 . c5' B 15 . c4' B 15 . c3' parsed_2mh6 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 16 . o5' B 16 . c5' B 16 . c4' B 16 . c3' parsed_2mh6 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 1 . c4' A 1 . c3' A 1 . o3' A 2 . p parsed_2mh6 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 2 . c4' A 2 . c3' A 2 . o3' A 3 . p parsed_2mh6 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 3 . c4' A 3 . c3' A 3 . o3' A 4 . p parsed_2mh6 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 4 . c4' A 4 . c3' A 4 . o3' A 5 . p parsed_2mh6 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 5 . c4' A 5 . c3' A 5 . o3' A 6 . p parsed_2mh6 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 6 . c4' A 6 . c3' A 6 . o3' A 7 . p parsed_2mh6 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 7 . c4' A 7 . c3' A 7 . o3' A 8 . p parsed_2mh6 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 9 . c4' B 9 . c3' B 9 . o3' B 10 . p parsed_2mh6 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 10 . c4' B 10 . c3' B 10 . o3' B 11 . p parsed_2mh6 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 11 . c4' B 11 . c3' B 11 . o3' B 12 . p parsed_2mh6 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 12 . c4' B 12 . c3' B 12 . o3' B 13 . p parsed_2mh6 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 13 . c4' B 13 . c3' B 13 . o3' B 14 . p parsed_2mh6 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 14 . c4' B 14 . c3' B 14 . o3' B 15 . p parsed_2mh6 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 15 . c4' B 15 . c3' B 15 . o3' B 16 . p parsed_2mh6 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 1 . c4' A 1 . o4' A 1 . c1' A 1 . c2' parsed_2mh6 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 2 . c4' A 2 . o4' A 2 . c1' A 2 . c2' parsed_2mh6 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 3 . c4' A 3 . o4' A 3 . c1' A 3 . c2' parsed_2mh6 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 4 . c4' A 4 . o4' A 4 . c1' A 4 . c2' parsed_2mh6 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 5 . c4' A 5 . o4' A 5 . c1' A 5 . c2' parsed_2mh6 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 6 . c4' A 6 . o4' A 6 . c1' A 6 . c2' parsed_2mh6 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 7 . c4' A 7 . o4' A 7 . c1' A 7 . c2' parsed_2mh6 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 8 . c4' A 8 . o4' A 8 . c1' A 8 . c2' parsed_2mh6 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 9 . c4' B 9 . o4' B 9 . c1' B 9 . c2' parsed_2mh6 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 10 . c4' B 10 . o4' B 10 . c1' B 10 . c2' parsed_2mh6 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 11 . c4' B 11 . o4' B 11 . c1' B 11 . c2' parsed_2mh6 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 12 . c4' B 12 . o4' B 12 . c1' B 12 . c2' parsed_2mh6 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 13 . c4' B 13 . o4' B 13 . c1' B 13 . c2' parsed_2mh6 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 14 . c4' B 14 . o4' B 14 . c1' B 14 . c2' parsed_2mh6 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 15 . c4' B 15 . o4' B 15 . c1' B 15 . c2' parsed_2mh6 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 16 . c4' B 16 . o4' B 16 . c1' B 16 . c2' parsed_2mh6 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 1 . o4' A 1 . c1' A 1 . c2' A 1 . c3' parsed_2mh6 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 2 . o4' A 2 . c1' A 2 . c2' A 2 . c3' parsed_2mh6 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 3 . o4' A 3 . c1' A 3 . c2' A 3 . c3' parsed_2mh6 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 4 . o4' A 4 . c1' A 4 . c2' A 4 . c3' parsed_2mh6 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 5 . o4' A 5 . c1' A 5 . c2' A 5 . c3' parsed_2mh6 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 6 . o4' A 6 . c1' A 6 . c2' A 6 . c3' parsed_2mh6 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 7 . o4' A 7 . c1' A 7 . c2' A 7 . c3' parsed_2mh6 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 8 . o4' A 8 . c1' A 8 . c2' A 8 . c3' parsed_2mh6 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 9 . o4' B 9 . c1' B 9 . c2' B 9 . c3' parsed_2mh6 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 10 . o4' B 10 . c1' B 10 . c2' B 10 . c3' parsed_2mh6 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 11 . o4' B 11 . c1' B 11 . c2' B 11 . c3' parsed_2mh6 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 12 . o4' B 12 . c1' B 12 . c2' B 12 . c3' parsed_2mh6 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 13 . o4' B 13 . c1' B 13 . c2' B 13 . c3' parsed_2mh6 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 14 . o4' B 14 . c1' B 14 . c2' B 14 . c3' parsed_2mh6 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 15 . o4' B 15 . c1' B 15 . c2' B 15 . c3' parsed_2mh6 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 16 . o4' B 16 . c1' B 16 . c2' B 16 . c3' parsed_2mh6 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 1 . c1' A 1 . c2' A 1 . c3' A 1 . c4' parsed_2mh6 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 2 . c1' A 2 . c2' A 2 . c3' A 2 . c4' parsed_2mh6 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 3 . c1' A 3 . c2' A 3 . c3' A 3 . c4' parsed_2mh6 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 4 . c1' A 4 . c2' A 4 . c3' A 4 . c4' parsed_2mh6 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 5 . c1' A 5 . c2' A 5 . c3' A 5 . c4' parsed_2mh6 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 6 . c1' A 6 . c2' A 6 . c3' A 6 . c4' parsed_2mh6 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 7 . c1' A 7 . c2' A 7 . c3' A 7 . c4' parsed_2mh6 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 8 . c1' A 8 . c2' A 8 . c3' A 8 . c4' parsed_2mh6 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 9 . c1' B 9 . c2' B 9 . c3' B 9 . c4' parsed_2mh6 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 10 . c1' B 10 . c2' B 10 . c3' B 10 . c4' parsed_2mh6 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 11 . c1' B 11 . c2' B 11 . c3' B 11 . c4' parsed_2mh6 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 12 . c1' B 12 . c2' B 12 . c3' B 12 . c4' parsed_2mh6 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 13 . c1' B 13 . c2' B 13 . c3' B 13 . c4' parsed_2mh6 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 14 . c1' B 14 . c2' B 14 . c3' B 14 . c4' parsed_2mh6 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 15 . c1' B 15 . c2' B 15 . c3' B 15 . c4' parsed_2mh6 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 16 . c1' B 16 . c2' B 16 . c3' B 16 . c4' parsed_2mh6 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 1 . c2' A 1 . c3' A 1 . c4' A 1 . o4' parsed_2mh6 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 2 . c2' A 2 . c3' A 2 . c4' A 2 . o4' parsed_2mh6 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 3 . c2' A 3 . c3' A 3 . c4' A 3 . o4' parsed_2mh6 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 4 . c2' A 4 . c3' A 4 . c4' A 4 . o4' parsed_2mh6 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 5 . c2' A 5 . c3' A 5 . c4' A 5 . o4' parsed_2mh6 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 6 . c2' A 6 . c3' A 6 . c4' A 6 . o4' parsed_2mh6 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 7 . c2' A 7 . c3' A 7 . c4' A 7 . o4' parsed_2mh6 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 8 . c2' A 8 . c3' A 8 . c4' A 8 . o4' parsed_2mh6 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 9 . c2' B 9 . c3' B 9 . c4' B 9 . o4' parsed_2mh6 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 10 . c2' B 10 . c3' B 10 . c4' B 10 . o4' parsed_2mh6 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 11 . c2' B 11 . c3' B 11 . c4' B 11 . o4' parsed_2mh6 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 12 . c2' B 12 . c3' B 12 . c4' B 12 . o4' parsed_2mh6 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 13 . c2' B 13 . c3' B 13 . c4' B 13 . o4' parsed_2mh6 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 14 . c2' B 14 . c3' B 14 . c4' B 14 . o4' parsed_2mh6 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 15 . c2' B 15 . c3' B 15 . c4' B 15 . o4' parsed_2mh6 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 16 . c2' B 16 . c3' B 16 . c4' B 16 . o4' parsed_2mh6 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 1 . c3' A 1 . c4' A 1 . o4' A 1 . c1' parsed_2mh6 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 2 . c3' A 2 . c4' A 2 . o4' A 2 . c1' parsed_2mh6 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 3 . c3' A 3 . c4' A 3 . o4' A 3 . c1' parsed_2mh6 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 4 . c3' A 4 . c4' A 4 . o4' A 4 . c1' parsed_2mh6 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 5 . c3' A 5 . c4' A 5 . o4' A 5 . c1' parsed_2mh6 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 6 . c3' A 6 . c4' A 6 . o4' A 6 . c1' parsed_2mh6 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 7 . c3' A 7 . c4' A 7 . o4' A 7 . c1' parsed_2mh6 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 8 . c3' A 8 . c4' A 8 . o4' A 8 . c1' parsed_2mh6 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 9 . c3' B 9 . c4' B 9 . o4' B 9 . c1' parsed_2mh6 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 10 . c3' B 10 . c4' B 10 . o4' B 10 . c1' parsed_2mh6 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 11 . c3' B 11 . c4' B 11 . o4' B 11 . c1' parsed_2mh6 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 12 . c3' B 12 . c4' B 12 . o4' B 12 . c1' parsed_2mh6 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 13 . c3' B 13 . c4' B 13 . o4' B 13 . c1' parsed_2mh6 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 14 . c3' B 14 . c4' B 14 . o4' B 14 . c1' parsed_2mh6 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 15 . c3' B 15 . c4' B 15 . o4' B 15 . c1' parsed_2mh6 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 16 . c3' B 16 . c4' B 16 . o4' B 16 . c1' parsed_2mh6 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
;
TORSION ANGLE CONSTRAINTS
torsion restraints on beta
;
1 1 3 28 parsed_2mh6 1
2 "torsion constraints on gamma" 37 1 37 30 parsed_2mh6 1
3 "torsion restraints on epsilon" 78 1 78 31 parsed_2mh6 1
4
;
constraints on sugar v0, v1, v2, v3 and v4 torsion angles between P = 126-198 deg.
calculated from this formula: vj = vmax*cos(P+(j-2)*144), and vmax=37
v0
;
113 1 117 4 parsed_2mh6 1
5 v1 151 1 151 4 parsed_2mh6 1
6 v2 185 1 185 4 parsed_2mh6 1
7 v3 219 1 219 4 parsed_2mh6 1
8 v4 253 1 253 4 parsed_2mh6 1
9 ----------------------------------------------------------------------------------------------- 287 1 287 97 parsed_2mh6 1
stop_
save_
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