NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
35830 |
1me0   |
cing | 2-parsed | STAR | entry | full | 268 |
data_1me0_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1me0
_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_1me0 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1me0
_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 1me0 "Master copy" parsed_1me0
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1me0
_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 1me0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1me0 1
1 1me0.mr . . XPLOR/CNS 2 distance NOE simple 174 parsed_1me0 1
1 1me0.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_1me0 1
1 1me0.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 60 parsed_1me0 1
1 1me0.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1me0 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_1me0
_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, RNA 07-AUG-02 1ME0
*TITLE CHIMERIC HAIRPIN WITH 2',5'-LINKED RNA LOOP AND DNA STEM
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: 5'-D(*GP*GP*AP*C)-R(P*(U25)P*(U25)P*(C25)P*(G25)
*COMPND 3 )-D(P*GP*TP*CP*C)-3';
*COMPND 4 CHAIN: A;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: SOLID PHASE SYNTHESIS, PHOSPHORAMIDITE
*SOURCE 4 CHEMISTRY
*KEYWDS HAIRPIN, (2',5')-RNA, DNA
*EXPDTA NMR, 10 STRUCTURES
*AUTHOR A.Y.DENISOV, R.N.HANNOUSH, K.GEHRING, M.J.DAMHA
*REVDAT 1 19-AUG-03 1ME0 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1me0
_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_1me0 1
2 1 . . . parsed_1me0 1
3 1 . . . parsed_1me0 1
4 1 . . . parsed_1me0 1
5 1 . . . parsed_1me0 1
6 1 . . . parsed_1me0 1
7 1 . . . parsed_1me0 1
8 1 . . . parsed_1me0 1
9 1 . . . parsed_1me0 1
10 1 . . . parsed_1me0 1
11 1 . . . parsed_1me0 1
12 1 . . . parsed_1me0 1
13 1 . . . parsed_1me0 1
14 1 . . . parsed_1me0 1
15 1 . . . parsed_1me0 1
16 1 . . . parsed_1me0 1
17 1 . . . parsed_1me0 1
18 1 . . . parsed_1me0 1
19 1 . . . parsed_1me0 1
20 1 . . . parsed_1me0 1
21 1 . . . parsed_1me0 1
22 1 . . . parsed_1me0 1
23 1 . . . parsed_1me0 1
24 1 . . . parsed_1me0 1
25 1 . . . parsed_1me0 1
26 1 . . . parsed_1me0 1
27 1 . . . parsed_1me0 1
28 1 . . . parsed_1me0 1
29 1 . . . parsed_1me0 1
30 1 . . . parsed_1me0 1
31 1 . . . parsed_1me0 1
32 1 . . . parsed_1me0 1
33 1 . . . parsed_1me0 1
34 1 . . . parsed_1me0 1
35 1 . . . parsed_1me0 1
36 1 . . . parsed_1me0 1
37 1 . . . parsed_1me0 1
38 1 . . . parsed_1me0 1
39 1 . . . parsed_1me0 1
40 1 . . . parsed_1me0 1
41 1 . . . parsed_1me0 1
42 1 . . . parsed_1me0 1
43 1 . . . parsed_1me0 1
44 1 . . . parsed_1me0 1
45 1 . . . parsed_1me0 1
46 1 . . . parsed_1me0 1
47 1 . . . parsed_1me0 1
48 1 . . . parsed_1me0 1
49 1 . . . parsed_1me0 1
50 1 . . . parsed_1me0 1
51 1 . . . parsed_1me0 1
52 1 . . . parsed_1me0 1
53 1 . . . parsed_1me0 1
54 1 . . . parsed_1me0 1
55 1 . . . parsed_1me0 1
56 1 . . . parsed_1me0 1
57 1 . . . parsed_1me0 1
58 1 . . . parsed_1me0 1
59 1 . . . parsed_1me0 1
60 1 . . . parsed_1me0 1
61 1 . . . parsed_1me0 1
62 1 . . . parsed_1me0 1
63 1 . . . parsed_1me0 1
64 1 . . . parsed_1me0 1
65 1 . . . parsed_1me0 1
66 1 . . . parsed_1me0 1
67 1 . . . parsed_1me0 1
68 1 . . . parsed_1me0 1
69 1 . . . parsed_1me0 1
70 1 . . . parsed_1me0 1
71 1 . . . parsed_1me0 1
72 1 . . . parsed_1me0 1
73 1 . . . parsed_1me0 1
74 1 . . . parsed_1me0 1
75 1 . . . parsed_1me0 1
76 1 . . . parsed_1me0 1
77 1 . . . parsed_1me0 1
78 1 . . . parsed_1me0 1
79 1 . . . parsed_1me0 1
80 1 . . . parsed_1me0 1
81 1 . . . parsed_1me0 1
82 1 . . . parsed_1me0 1
83 1 . . . parsed_1me0 1
84 1 . . . parsed_1me0 1
85 1 . . . parsed_1me0 1
86 1 . . . parsed_1me0 1
87 1 . . . parsed_1me0 1
88 1 . . . parsed_1me0 1
89 1 . . . parsed_1me0 1
90 1 . . . parsed_1me0 1
91 1 . . . parsed_1me0 1
92 1 . . . parsed_1me0 1
93 1 . . . parsed_1me0 1
94 1 . . . parsed_1me0 1
95 1 . . . parsed_1me0 1
96 1 . . . parsed_1me0 1
97 1 . . . parsed_1me0 1
98 1 . . . parsed_1me0 1
99 1 . . . parsed_1me0 1
100 1 . . . parsed_1me0 1
101 1 . . . parsed_1me0 1
102 1 . . . parsed_1me0 1
103 1 . . . parsed_1me0 1
104 1 . . . parsed_1me0 1
105 1 . . . parsed_1me0 1
106 1 . . . parsed_1me0 1
107 1 . . . parsed_1me0 1
108 1 . . . parsed_1me0 1
109 1 . . . parsed_1me0 1
110 1 . . . parsed_1me0 1
111 1 . . . parsed_1me0 1
112 1 . . . parsed_1me0 1
113 1 . . . parsed_1me0 1
114 1 . . . parsed_1me0 1
115 1 . . . parsed_1me0 1
116 1 . . . parsed_1me0 1
117 1 . . . parsed_1me0 1
118 1 . . . parsed_1me0 1
119 1 . . . parsed_1me0 1
120 1 . . . parsed_1me0 1
121 1 . . . parsed_1me0 1
122 1 . . . parsed_1me0 1
123 1 . . . parsed_1me0 1
124 1 . . . parsed_1me0 1
125 1 . . . parsed_1me0 1
126 1 . . . parsed_1me0 1
127 1 . . . parsed_1me0 1
128 1 . . . parsed_1me0 1
129 1 . . . parsed_1me0 1
130 1 . . . parsed_1me0 1
131 1 . . . parsed_1me0 1
132 1 . . . parsed_1me0 1
133 1 . . . parsed_1me0 1
134 1 . . . parsed_1me0 1
135 1 . . . parsed_1me0 1
136 1 . . . parsed_1me0 1
137 1 . . . parsed_1me0 1
138 1 . . . parsed_1me0 1
139 1 . . . parsed_1me0 1
140 1 . . . parsed_1me0 1
141 1 . . . parsed_1me0 1
142 1 . . . parsed_1me0 1
143 1 . . . parsed_1me0 1
144 1 . . . parsed_1me0 1
145 1 . . . parsed_1me0 1
146 1 . . . parsed_1me0 1
147 1 . . . parsed_1me0 1
148 1 . . . parsed_1me0 1
149 1 . . . parsed_1me0 1
150 1 . . . parsed_1me0 1
151 1 . . . parsed_1me0 1
152 1 . . . parsed_1me0 1
153 1 . . . parsed_1me0 1
154 1 . . . parsed_1me0 1
155 1 . . . parsed_1me0 1
156 1 . . . parsed_1me0 1
157 1 . . . parsed_1me0 1
158 1 . . . parsed_1me0 1
159 1 . . . parsed_1me0 1
160 1 . . . parsed_1me0 1
161 1 . . . parsed_1me0 1
162 1 . . . parsed_1me0 1
163 1 . . . parsed_1me0 1
164 1 . . . parsed_1me0 1
165 1 . . . parsed_1me0 1
166 1 . . . parsed_1me0 1
167 1 . . . parsed_1me0 1
168 1 . . . parsed_1me0 1
169 1 . . . parsed_1me0 1
170 1 . . . parsed_1me0 1
171 1 . . . parsed_1me0 1
172 1 . . . parsed_1me0 1
173 1 . . . parsed_1me0 1
174 1 . . . parsed_1me0 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 . h1' parsed_1me0 1
1 1 2 . . . . . . . . . 1 . h2' parsed_1me0 1
2 1 1 . . . . . . . . . 2 . h1' parsed_1me0 1
2 1 2 . . . . . . . . . 2 . h2' parsed_1me0 1
3 1 1 . . . . . . . . . 3 . h1' parsed_1me0 1
3 1 2 . . . . . . . . . 3 . h2' parsed_1me0 1
4 1 1 . . . . . . . . . 4 . h1' parsed_1me0 1
4 1 2 . . . . . . . . . 4 . h2' parsed_1me0 1
5 1 1 . . . . . . . . . 5 . h1' parsed_1me0 1
5 1 2 . . . . . . . . . 5 . h2' parsed_1me0 1
6 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1
6 1 2 . . . . . . . . . 6 . h2' parsed_1me0 1
7 1 1 . . . . . . . . . 7 . h1' parsed_1me0 1
7 1 2 . . . . . . . . . 7 . h2' parsed_1me0 1
8 1 1 . . . . . . . . . 8 . h1' parsed_1me0 1
8 1 2 . . . . . . . . . 8 . h2' parsed_1me0 1
9 1 1 . . . . . . . . . 9 . h1' parsed_1me0 1
9 1 2 . . . . . . . . . 9 . h2' parsed_1me0 1
10 1 1 . . . . . . . . . 10 . h1' parsed_1me0 1
10 1 2 . . . . . . . . . 10 . h2' parsed_1me0 1
11 1 1 . . . . . . . . . 11 . h1' parsed_1me0 1
11 1 2 . . . . . . . . . 11 . h2' parsed_1me0 1
12 1 1 . . . . . . . . . 12 . h1' parsed_1me0 1
12 1 2 . . . . . . . . . 12 . h2' parsed_1me0 1
13 1 1 . . . . . . . . . 1 . h1' parsed_1me0 1
13 1 2 . . . . . . . . . 1 . h2'' parsed_1me0 1
14 1 1 . . . . . . . . . 2 . h1' parsed_1me0 1
14 1 2 . . . . . . . . . 2 . h2'' parsed_1me0 1
15 1 1 . . . . . . . . . 3 . h1' parsed_1me0 1
15 1 2 . . . . . . . . . 3 . h2'' parsed_1me0 1
16 1 1 . . . . . . . . . 4 . h1' parsed_1me0 1
16 1 2 . . . . . . . . . 4 . h2'' parsed_1me0 1
17 1 1 . . . . . . . . . 9 . h1' parsed_1me0 1
17 1 2 . . . . . . . . . 9 . h2'' parsed_1me0 1
18 1 1 . . . . . . . . . 10 . h1' parsed_1me0 1
18 1 2 . . . . . . . . . 10 . h2'' parsed_1me0 1
19 1 1 . . . . . . . . . 11 . h1' parsed_1me0 1
19 1 2 . . . . . . . . . 11 . h2'' parsed_1me0 1
20 1 1 . . . . . . . . . 12 . h1' parsed_1me0 1
20 1 2 . . . . . . . . . 12 . h2'' parsed_1me0 1
21 1 1 . . . . . . . . . 2 . h1' parsed_1me0 1
21 1 2 . . . . . . . . . 2 . h3' parsed_1me0 1
22 1 1 . . . . . . . . . 3 . h1' parsed_1me0 1
22 1 2 . . . . . . . . . 3 . h3' parsed_1me0 1
23 1 1 . . . . . . . . . 4 . h1' parsed_1me0 1
23 1 2 . . . . . . . . . 4 . h3' parsed_1me0 1
24 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1
24 1 2 . . . . . . . . . 6 . h3' parsed_1me0 1
25 1 1 . . . . . . . . . 7 . h1' parsed_1me0 1
25 1 2 . . . . . . . . . 7 . h3' parsed_1me0 1
26 1 1 . . . . . . . . . 8 . h1' parsed_1me0 1
26 1 2 . . . . . . . . . 8 . h3' parsed_1me0 1
27 1 1 . . . . . . . . . 9 . h1' parsed_1me0 1
27 1 2 . . . . . . . . . 9 . h3' parsed_1me0 1
28 1 1 . . . . . . . . . 12 . h1' parsed_1me0 1
28 1 2 . . . . . . . . . 12 . h3' parsed_1me0 1
29 1 1 . . . . . . . . . 1 . h1' parsed_1me0 1
29 1 2 . . . . . . . . . 1 . h4' parsed_1me0 1
30 1 1 . . . . . . . . . 2 . h1' parsed_1me0 1
30 1 2 . . . . . . . . . 2 . h4' parsed_1me0 1
31 1 1 . . . . . . . . . 3 . h1' parsed_1me0 1
31 1 2 . . . . . . . . . 3 . h4' parsed_1me0 1
32 1 1 . . . . . . . . . 4 . h1' parsed_1me0 1
32 1 2 . . . . . . . . . 4 . h4' parsed_1me0 1
33 1 1 . . . . . . . . . 5 . h1' parsed_1me0 1
33 1 2 . . . . . . . . . 5 . h4' parsed_1me0 1
34 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1
34 1 2 . . . . . . . . . 6 . h4' parsed_1me0 1
35 1 1 . . . . . . . . . 7 . h1' parsed_1me0 1
35 1 2 . . . . . . . . . 7 . h4' parsed_1me0 1
36 1 1 . . . . . . . . . 8 . h1' parsed_1me0 1
36 1 2 . . . . . . . . . 8 . h4' parsed_1me0 1
37 1 1 . . . . . . . . . 9 . h1' parsed_1me0 1
37 1 2 . . . . . . . . . 9 . h4' parsed_1me0 1
38 1 1 . . . . . . . . . 10 . h1' parsed_1me0 1
38 1 2 . . . . . . . . . 10 . h4' parsed_1me0 1
39 1 1 . . . . . . . . . 11 . h1' parsed_1me0 1
39 1 2 . . . . . . . . . 11 . h4' parsed_1me0 1
40 1 1 . . . . . . . . . 12 . h1' parsed_1me0 1
40 1 2 . . . . . . . . . 12 . h4' parsed_1me0 1
41 1 1 . . . . . . . . . 1 . h2' parsed_1me0 1
41 1 2 . . . . . . . . . 1 . h3' parsed_1me0 1
42 1 1 . . . . . . . . . 2 . h2' parsed_1me0 1
42 1 2 . . . . . . . . . 2 . h3' parsed_1me0 1
43 1 1 . . . . . . . . . 3 . h2' parsed_1me0 1
43 1 2 . . . . . . . . . 3 . h3' parsed_1me0 1
44 1 1 . . . . . . . . . 4 . h2' parsed_1me0 1
44 1 2 . . . . . . . . . 4 . h3' parsed_1me0 1
45 1 1 . . . . . . . . . 9 . h2' parsed_1me0 1
45 1 2 . . . . . . . . . 9 . h3' parsed_1me0 1
46 1 1 . . . . . . . . . 11 . h2' parsed_1me0 1
46 1 2 . . . . . . . . . 11 . h3' parsed_1me0 1
47 1 1 . . . . . . . . . 1 . h2'' parsed_1me0 1
47 1 2 . . . . . . . . . 1 . h3' parsed_1me0 1
48 1 1 . . . . . . . . . 2 . h2'' parsed_1me0 1
48 1 2 . . . . . . . . . 2 . h3' parsed_1me0 1
49 1 1 . . . . . . . . . 3 . h2'' parsed_1me0 1
49 1 2 . . . . . . . . . 3 . h3' parsed_1me0 1
50 1 1 . . . . . . . . . 4 . h2'' parsed_1me0 1
50 1 2 . . . . . . . . . 4 . h3' parsed_1me0 1
51 1 1 . . . . . . . . . 9 . h2'' parsed_1me0 1
51 1 2 . . . . . . . . . 9 . h3' parsed_1me0 1
52 1 1 . . . . . . . . . 1 . h3' parsed_1me0 1
52 1 2 . . . . . . . . . 1 . h4' parsed_1me0 1
53 1 1 . . . . . . . . . 2 . h3' parsed_1me0 1
53 1 2 . . . . . . . . . 2 . h4' parsed_1me0 1
54 1 1 . . . . . . . . . 3 . h3' parsed_1me0 1
54 1 2 . . . . . . . . . 3 . h4' parsed_1me0 1
55 1 1 . . . . . . . . . 8 . h3' parsed_1me0 1
55 1 2 . . . . . . . . . 8 . h4' parsed_1me0 1
56 1 1 . . . . . . . . . 11 . h3' parsed_1me0 1
56 1 2 . . . . . . . . . 11 . h4' parsed_1me0 1
57 1 1 . . . . . . . . . 1 . h1' parsed_1me0 1
57 1 2 . . . . . . . . . 1 . h8 parsed_1me0 1
58 1 1 . . . . . . . . . 2 . h1' parsed_1me0 1
58 1 2 . . . . . . . . . 2 . h8 parsed_1me0 1
59 1 1 . . . . . . . . . 3 . h1' parsed_1me0 1
59 1 2 . . . . . . . . . 3 . h8 parsed_1me0 1
60 1 1 . . . . . . . . . 4 . h1' parsed_1me0 1
60 1 2 . . . . . . . . . 4 . h6 parsed_1me0 1
61 1 1 . . . . . . . . . 5 . h1' parsed_1me0 1
61 1 2 . . . . . . . . . 5 . h6 parsed_1me0 1
62 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1
62 1 2 . . . . . . . . . 6 . h6 parsed_1me0 1
63 1 1 . . . . . . . . . 7 . h1' parsed_1me0 1
63 1 2 . . . . . . . . . 7 . h6 parsed_1me0 1
64 1 1 . . . . . . . . . 8 . h1' parsed_1me0 1
64 1 2 . . . . . . . . . 8 . h8 parsed_1me0 1
65 1 1 . . . . . . . . . 9 . h1' parsed_1me0 1
65 1 2 . . . . . . . . . 9 . h8 parsed_1me0 1
66 1 1 . . . . . . . . . 10 . h1' parsed_1me0 1
66 1 2 . . . . . . . . . 10 . h6 parsed_1me0 1
67 1 1 . . . . . . . . . 11 . h1' parsed_1me0 1
67 1 2 . . . . . . . . . 11 . h6 parsed_1me0 1
68 1 1 . . . . . . . . . 12 . h1' parsed_1me0 1
68 1 2 . . . . . . . . . 12 . h6 parsed_1me0 1
69 1 1 . . . . . . . . . 1 . h2' parsed_1me0 1
69 1 2 . . . . . . . . . 1 . h8 parsed_1me0 1
70 1 1 . . . . . . . . . 2 . h2' parsed_1me0 1
70 1 2 . . . . . . . . . 2 . h8 parsed_1me0 1
71 1 1 . . . . . . . . . 3 . h2' parsed_1me0 1
71 1 2 . . . . . . . . . 3 . h8 parsed_1me0 1
72 1 1 . . . . . . . . . 4 . h2' parsed_1me0 1
72 1 2 . . . . . . . . . 4 . h6 parsed_1me0 1
73 1 1 . . . . . . . . . 5 . h2' parsed_1me0 1
73 1 2 . . . . . . . . . 5 . h6 parsed_1me0 1
74 1 1 . . . . . . . . . 6 . h2' parsed_1me0 1
74 1 2 . . . . . . . . . 6 . h6 parsed_1me0 1
75 1 1 . . . . . . . . . 7 . h2' parsed_1me0 1
75 1 2 . . . . . . . . . 7 . h6 parsed_1me0 1
76 1 1 . . . . . . . . . 8 . h2' parsed_1me0 1
76 1 2 . . . . . . . . . 8 . h8 parsed_1me0 1
77 1 1 . . . . . . . . . 9 . h2' parsed_1me0 1
77 1 2 . . . . . . . . . 9 . h8 parsed_1me0 1
78 1 1 . . . . . . . . . 10 . h2' parsed_1me0 1
78 1 2 . . . . . . . . . 10 . h6 parsed_1me0 1
79 1 1 . . . . . . . . . 11 . h2' parsed_1me0 1
79 1 2 . . . . . . . . . 11 . h6 parsed_1me0 1
80 1 1 . . . . . . . . . 12 . h2' parsed_1me0 1
80 1 2 . . . . . . . . . 12 . h6 parsed_1me0 1
81 1 1 . . . . . . . . . 1 . h3' parsed_1me0 1
81 1 2 . . . . . . . . . 1 . h8 parsed_1me0 1
82 1 1 . . . . . . . . . 2 . h3' parsed_1me0 1
82 1 2 . . . . . . . . . 2 . h8 parsed_1me0 1
83 1 1 . . . . . . . . . 3 . h3' parsed_1me0 1
83 1 2 . . . . . . . . . 3 . h8 parsed_1me0 1
84 1 1 . . . . . . . . . 4 . h3' parsed_1me0 1
84 1 2 . . . . . . . . . 4 . h6 parsed_1me0 1
85 1 1 . . . . . . . . . 5 . h3' parsed_1me0 1
85 1 2 . . . . . . . . . 5 . h6 parsed_1me0 1
86 1 1 . . . . . . . . . 6 . h3' parsed_1me0 1
86 1 2 . . . . . . . . . 6 . h6 parsed_1me0 1
87 1 1 . . . . . . . . . 7 . h3' parsed_1me0 1
87 1 2 . . . . . . . . . 7 . h6 parsed_1me0 1
88 1 1 . . . . . . . . . 8 . h3' parsed_1me0 1
88 1 2 . . . . . . . . . 8 . h8 parsed_1me0 1
89 1 1 . . . . . . . . . 9 . h3' parsed_1me0 1
89 1 2 . . . . . . . . . 9 . h8 parsed_1me0 1
90 1 1 . . . . . . . . . 11 . h3' parsed_1me0 1
90 1 2 . . . . . . . . . 11 . h6 parsed_1me0 1
91 1 1 . . . . . . . . . 12 . h3' parsed_1me0 1
91 1 2 . . . . . . . . . 12 . h6 parsed_1me0 1
92 1 1 . . . . . . . . . 3 . h2 parsed_1me0 1
92 1 2 . . . . . . . . . 3 . h1' parsed_1me0 1
93 1 1 . . . . . . . . . 1 . h1' parsed_1me0 1
93 1 2 . . . . . . . . . 2 . h8 parsed_1me0 1
94 1 1 . . . . . . . . . 2 . h1' parsed_1me0 1
94 1 2 . . . . . . . . . 3 . h8 parsed_1me0 1
95 1 1 . . . . . . . . . 3 . h1' parsed_1me0 1
95 1 2 . . . . . . . . . 4 . h6 parsed_1me0 1
96 1 1 . . . . . . . . . 4 . h1' parsed_1me0 1
96 1 2 . . . . . . . . . 5 . h6 parsed_1me0 1
97 1 1 . . . . . . . . . 5 . h1' parsed_1me0 1
97 1 2 . . . . . . . . . 6 . h6 parsed_1me0 1
98 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1
98 1 2 . . . . . . . . . 7 . h6 parsed_1me0 1
99 1 1 . . . . . . . . . 8 . h1' parsed_1me0 1
99 1 2 . . . . . . . . . 9 . h8 parsed_1me0 1
100 1 1 . . . . . . . . . 9 . h1' parsed_1me0 1
100 1 2 . . . . . . . . . 10 . h6 parsed_1me0 1
101 1 1 . . . . . . . . . 10 . h1' parsed_1me0 1
101 1 2 . . . . . . . . . 11 . h6 parsed_1me0 1
102 1 1 . . . . . . . . . 11 . h1' parsed_1me0 1
102 1 2 . . . . . . . . . 12 . h6 parsed_1me0 1
103 1 1 . . . . . . . . . 1 . h2' parsed_1me0 1
103 1 2 . . . . . . . . . 2 . h8 parsed_1me0 1
104 1 1 . . . . . . . . . 2 . h2' parsed_1me0 1
104 1 2 . . . . . . . . . 3 . h8 parsed_1me0 1
105 1 1 . . . . . . . . . 3 . h2' parsed_1me0 1
105 1 2 . . . . . . . . . 4 . h6 parsed_1me0 1
106 1 1 . . . . . . . . . 4 . h2' parsed_1me0 1
106 1 2 . . . . . . . . . 5 . h6 parsed_1me0 1
107 1 1 . . . . . . . . . 5 . h2' parsed_1me0 1
107 1 2 . . . . . . . . . 6 . h6 parsed_1me0 1
108 1 1 . . . . . . . . . 7 . h2' parsed_1me0 1
108 1 2 . . . . . . . . . 8 . h8 parsed_1me0 1
109 1 1 . . . . . . . . . 8 . h2' parsed_1me0 1
109 1 2 . . . . . . . . . 9 . h8 parsed_1me0 1
110 1 1 . . . . . . . . . 9 . h2' parsed_1me0 1
110 1 2 . . . . . . . . . 10 . h6 parsed_1me0 1
111 1 1 . . . . . . . . . 10 . h2' parsed_1me0 1
111 1 2 . . . . . . . . . 11 . h6 parsed_1me0 1
112 1 1 . . . . . . . . . 11 . h2' parsed_1me0 1
112 1 2 . . . . . . . . . 12 . h6 parsed_1me0 1
113 1 1 . . . . . . . . . 1 . h2'' parsed_1me0 1
113 1 2 . . . . . . . . . 2 . h8 parsed_1me0 1
114 1 1 . . . . . . . . . 2 . h2'' parsed_1me0 1
114 1 2 . . . . . . . . . 3 . h8 parsed_1me0 1
115 1 1 . . . . . . . . . 3 . h2'' parsed_1me0 1
115 1 2 . . . . . . . . . 4 . h6 parsed_1me0 1
116 1 1 . . . . . . . . . 4 . h2'' parsed_1me0 1
116 1 2 . . . . . . . . . 5 . h6 parsed_1me0 1
117 1 1 . . . . . . . . . 9 . h2'' parsed_1me0 1
117 1 2 . . . . . . . . . 10 . h6 parsed_1me0 1
118 1 1 . . . . . . . . . 10 . h2'' parsed_1me0 1
118 1 2 . . . . . . . . . 11 . h6 parsed_1me0 1
119 1 1 . . . . . . . . . 11 . h2'' parsed_1me0 1
119 1 2 . . . . . . . . . 12 . h6 parsed_1me0 1
120 1 1 . . . . . . . . . 7 . h3' parsed_1me0 1
120 1 2 . . . . . . . . . 8 . h8 parsed_1me0 1
121 1 1 . . . . . . . . . 3 . h2 parsed_1me0 1
121 1 2 . . . . . . . . . 4 . h1' parsed_1me0 1
122 1 1 . . . . . . . . . 3 . h8 parsed_1me0 1
122 1 2 . . . . . . . . . 4 . h5 parsed_1me0 1
123 1 1 . . . . . . . . . 3 . h2'' parsed_1me0 1
123 1 2 . . . . . . . . . 4 . h5 parsed_1me0 1
124 1 1 . . . . . . . . . 3 . h8 parsed_1me0 1
124 1 2 . . . . . . . . . 4 . h6 parsed_1me0 1
125 1 1 . . . . . . . . . 4 . h6 parsed_1me0 1
125 1 2 . . . . . . . . . 5 . h5 parsed_1me0 1
126 1 1 . . . . . . . . . 4 . h2' parsed_1me0 1
126 1 2 . . . . . . . . . 5 . h5 parsed_1me0 1
127 1 1 . . . . . . . . . 5 . h2' parsed_1me0 1
127 1 2 . . . . . . . . . 6 . h5 parsed_1me0 1
128 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1
128 1 2 . . . . . . . . . 7 . h5 parsed_1me0 1
129 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1
129 1 2 . . . . . . . . . 7 . h3' parsed_1me0 1
130 1 1 . . . . . . . . . 9 . h8 parsed_1me0 1
130 1 2 . . . . . . . . . 10 . h5# parsed_1me0 1
131 1 1 . . . . . . . . . 9 . h2' parsed_1me0 1
131 1 2 . . . . . . . . . 10 . h5# parsed_1me0 1
132 1 1 . . . . . . . . . 9 . h2'' parsed_1me0 1
132 1 2 . . . . . . . . . 10 . h5# parsed_1me0 1
133 1 1 . . . . . . . . . 10 . h6 parsed_1me0 1
133 1 2 . . . . . . . . . 11 . h5 parsed_1me0 1
134 1 1 . . . . . . . . . 10 . h2' parsed_1me0 1
134 1 2 . . . . . . . . . 11 . h5 parsed_1me0 1
135 1 1 . . . . . . . . . 11 . h6 parsed_1me0 1
135 1 2 . . . . . . . . . 12 . h5 parsed_1me0 1
136 1 1 . . . . . . . . . 11 . h2' parsed_1me0 1
136 1 2 . . . . . . . . . 12 . h5 parsed_1me0 1
137 1 1 . . . . . . . . . 3 . h2 parsed_1me0 1
137 1 2 . . . . . . . . . 11 . h1' parsed_1me0 1
138 1 1 . . . . . . . . . 5 . h3 parsed_1me0 1
138 1 2 . . . . . . . . . 8 . h1 parsed_1me0 1
139 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1
139 1 2 . . . . . . . . . 8 . h1 parsed_1me0 1
140 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1
140 1 2 . . . . . . . . . 5 . h3 parsed_1me0 1
141 1 1 . . . . . . . . . 6 . h5' parsed_1me0 1
141 1 2 . . . . . . . . . 8 . h1 parsed_1me0 1
142 1 1 . . . . . . . . . 6 . h4' parsed_1me0 1
142 1 2 . . . . . . . . . 8 . h1 parsed_1me0 1
143 1 1 . . . . . . . . . 5 . h3 parsed_1me0 1
143 1 2 . . . . . . . . . 9 . h1 parsed_1me0 1
144 1 1 . . . . . . . . . 8 . h1 parsed_1me0 1
144 1 2 . . . . . . . . . 9 . h1 parsed_1me0 1
145 1 1 . . . . . . . . . 1 . h1' parsed_1me0 1
145 1 2 . . . . . . . . . 2 . h5' parsed_1me0 1
146 1 1 . . . . . . . . . 2 . h1' parsed_1me0 1
146 1 2 . . . . . . . . . 3 . h5' parsed_1me0 1
147 1 1 . . . . . . . . . 3 . h1' parsed_1me0 1
147 1 2 . . . . . . . . . 4 . h5' parsed_1me0 1
148 1 1 . . . . . . . . . 4 . h1' parsed_1me0 1
148 1 2 . . . . . . . . . 5 . h5' parsed_1me0 1
149 1 1 . . . . . . . . . 5 . h1' parsed_1me0 1
149 1 2 . . . . . . . . . 6 . h5' parsed_1me0 1
150 1 1 . . . . . . . . . 8 . h1' parsed_1me0 1
150 1 2 . . . . . . . . . 9 . h5' parsed_1me0 1
151 1 1 . . . . . . . . . 9 . h1' parsed_1me0 1
151 1 2 . . . . . . . . . 10 . h5' parsed_1me0 1
152 1 1 . . . . . . . . . 10 . h1' parsed_1me0 1
152 1 2 . . . . . . . . . 11 . h5' parsed_1me0 1
153 1 1 . . . . . . . . . 11 . h1' parsed_1me0 1
153 1 2 . . . . . . . . . 12 . h5' parsed_1me0 1
154 1 1 . . . . . . . . . 7 . h1' parsed_1me0 1
154 1 2 . . . . . . . . . 8 . h8 parsed_1me0 1
155 1 1 . . . . . . . . . 6 . h5 parsed_1me0 1
155 1 2 . . . . . . . . . 7 . h5 parsed_1me0 1
156 1 1 . . . . . . . . . 6 . h5 parsed_1me0 1
156 1 2 . . . . . . . . . 7 . h6 parsed_1me0 1
157 1 1 . . . . . . . . . 6 . h6 parsed_1me0 1
157 1 2 . . . . . . . . . 7 . h5 parsed_1me0 1
158 1 1 . . . . . . . . . 7 . h2' parsed_1me0 1
158 1 2 . . . . . . . . . 8 . h5' parsed_1me0 1
159 1 1 . . . . . . . . . 7 . h2' parsed_1me0 1
159 1 2 . . . . . . . . . 8 . h5'' parsed_1me0 1
160 1 1 . . . . . . . . . 5 . h1' parsed_1me0 1
160 1 2 . . . . . . . . . 6 . h5'' parsed_1me0 1
161 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1
161 1 2 . . . . . . . . . 7 . h5' parsed_1me0 1
162 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1
162 1 2 . . . . . . . . . 7 . h5'' parsed_1me0 1
163 1 1 . . . . . . . . . 7 . h1' parsed_1me0 1
163 1 2 . . . . . . . . . 8 . h5' parsed_1me0 1
164 1 1 . . . . . . . . . 7 . h1' parsed_1me0 1
164 1 2 . . . . . . . . . 8 . h5'' parsed_1me0 1
165 1 1 . . . . . . . . . 1 . h8 parsed_1me0 1
165 1 2 . . . . . . . . . 2 . h8 parsed_1me0 1
166 1 1 . . . . . . . . . 2 . h8 parsed_1me0 1
166 1 2 . . . . . . . . . 3 . h8 parsed_1me0 1
167 1 1 . . . . . . . . . 4 . h6 parsed_1me0 1
167 1 2 . . . . . . . . . 5 . h6 parsed_1me0 1
168 1 1 . . . . . . . . . 7 . h6 parsed_1me0 1
168 1 2 . . . . . . . . . 8 . h8 parsed_1me0 1
169 1 1 . . . . . . . . . 8 . h8 parsed_1me0 1
169 1 2 . . . . . . . . . 9 . h8 parsed_1me0 1
170 1 1 . . . . . . . . . 9 . h8 parsed_1me0 1
170 1 2 . . . . . . . . . 10 . h6 parsed_1me0 1
171 1 1 . . . . . . . . . 10 . h6 parsed_1me0 1
171 1 2 . . . . . . . . . 11 . h6 parsed_1me0 1
172 1 1 . . . . . . . . . 11 . h6 parsed_1me0 1
172 1 2 . . . . . . . . . 12 . h6 parsed_1me0 1
173 1 1 . . . . . . . . . 7 . h5 parsed_1me0 1
173 1 2 . . . . . . . . . 8 . h1' parsed_1me0 1
174 1 1 . . . . . . . . . 7 . h5 parsed_1me0 1
174 1 2 . . . . . . . . . 6 . h4' parsed_1me0 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.9 2.6 3.4 parsed_1me0 1
2 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1
3 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1
4 1 . . . . . 2.9 2.6 3.4 parsed_1me0 1
5 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1
6 1 . . . . . 2.9 2.6 3.4 parsed_1me0 1
7 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1
8 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1
9 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1
10 1 . . . . . 2.9 2.6 3.4 parsed_1me0 1
11 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1
12 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1
13 1 . . . . . 2.3 2.1 2.5 parsed_1me0 1
14 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1
15 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1
16 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1
17 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1
18 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1
19 1 . . . . . 2.3 2.1 2.5 parsed_1me0 1
20 1 . . . . . 2.3 2.1 2.5 parsed_1me0 1
21 1 . . . . . 3.4 2.9 4.1 parsed_1me0 1
22 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1
23 1 . . . . . 3.3 2.8 4.0 parsed_1me0 1
24 1 . . . . . 3.8 3.3 4.5 parsed_1me0 1
25 1 . . . . . 3.7 3.2 4.4 parsed_1me0 1
26 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1
27 1 . . . . . 3.6 3.1 4.3 parsed_1me0 1
28 1 . . . . . 3.8 3.3 4.5 parsed_1me0 1
29 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1
30 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1
31 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1
32 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1
33 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1
34 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1
35 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1
36 1 . . . . . 3.1 2.8 3.6 parsed_1me0 1
37 1 . . . . . 3.3 3.0 3.8 parsed_1me0 1
38 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1
39 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1
40 1 . . . . . 3.1 2.8 3.6 parsed_1me0 1
41 1 . . . . . 2.6 2.4 2.8 parsed_1me0 1
42 1 . . . . . 2.5 2.3 2.7 parsed_1me0 1
43 1 . . . . . 2.5 2.3 2.7 parsed_1me0 1
44 1 . . . . . 2.5 2.3 2.7 parsed_1me0 1
45 1 . . . . . 2.5 2.3 2.7 parsed_1me0 1
46 1 . . . . . 2.5 2.3 2.7 parsed_1me0 1
47 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1
48 1 . . . . . 2.6 2.3 3.1 parsed_1me0 1
49 1 . . . . . 2.6 2.3 3.1 parsed_1me0 1
50 1 . . . . . 2.6 2.3 3.1 parsed_1me0 1
51 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1
52 1 . . . . . 2.5 2.2 3.0 parsed_1me0 1
53 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1
54 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1
55 1 . . . . . 2.6 2.3 3.1 parsed_1me0 1
56 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1
57 1 . . . . . 3.3 2.8 4.0 parsed_1me0 1
58 1 . . . . . 3.4 2.9 4.1 parsed_1me0 1
59 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1
60 1 . . . . . 3.4 2.9 4.1 parsed_1me0 1
61 1 . . . . . 3.5 3.0 4.5 parsed_1me0 1
62 1 . . . . . 3.6 2.1 5.1 parsed_1me0 1
63 1 . . . . . 3.4 1.9 4.9 parsed_1me0 1
64 1 . . . . . 3.3 1.8 4.8 parsed_1me0 1
65 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1
66 1 . . . . . 3.4 2.9 4.1 parsed_1me0 1
67 1 . . . . . 3.4 2.9 4.1 parsed_1me0 1
68 1 . . . . . 3.4 2.9 4.1 parsed_1me0 1
69 1 . . . . . 2.3 2.1 2.5 parsed_1me0 1
70 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1
71 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1
72 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1
73 1 . . . . . 2.6 2.3 3.1 parsed_1me0 1
74 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1
75 1 . . . . . 2.5 2.3 2.7 parsed_1me0 1
76 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1
77 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1
78 1 . . . . . 2.3 2.1 2.5 parsed_1me0 1
79 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1
80 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1
81 1 . . . . . 3.5 3.2 4.0 parsed_1me0 1
82 1 . . . . . 3.4 3.1 3.9 parsed_1me0 1
83 1 . . . . . 3.4 3.1 3.9 parsed_1me0 1
84 1 . . . . . 3.3 3.0 3.8 parsed_1me0 1
85 1 . . . . . 2.5 2.2 3.0 parsed_1me0 1
86 1 . . . . . 2.9 2.6 3.4 parsed_1me0 1
87 1 . . . . . 2.9 2.6 3.4 parsed_1me0 1
88 1 . . . . . 2.4 2.1 2.9 parsed_1me0 1
89 1 . . . . . 3.3 3.0 3.8 parsed_1me0 1
90 1 . . . . . 3.1 2.8 3.6 parsed_1me0 1
91 1 . . . . . 2.9 2.6 3.6 parsed_1me0 1
92 1 . . . . . 4.5 4.0 5.2 parsed_1me0 1
93 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1
94 1 . . . . . 3.3 2.8 4.0 parsed_1me0 1
95 1 . . . . . 3.4 2.9 4.1 parsed_1me0 1
96 1 . . . . . 3.9 3.4 4.6 parsed_1me0 1
97 1 . . . . . 3.9 3.4 4.6 parsed_1me0 1
98 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1
99 1 . . . . . 3.6 3.1 4.3 parsed_1me0 1
100 1 . . . . . 3.3 2.8 4.0 parsed_1me0 1
101 1 . . . . . 3.7 3.2 4.4 parsed_1me0 1
102 1 . . . . . 4.0 3.5 4.7 parsed_1me0 1
103 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1
104 1 . . . . . 2.9 2.6 3.4 parsed_1me0 1
105 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1
106 1 . . . . . 3.1 2.8 3.6 parsed_1me0 1
107 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1
108 1 . . . . . 3.4 3.1 3.9 parsed_1me0 1
109 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1
110 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1
111 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1
112 1 . . . . . 2.9 2.6 3.4 parsed_1me0 1
113 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1
114 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1
115 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1
116 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1
117 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1
118 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1
119 1 . . . . . 2.9 2.6 3.6 parsed_1me0 1
120 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1
121 1 . . . . . 4.4 3.9 5.1 parsed_1me0 1
122 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1
123 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1
124 1 . . . . . 3.9 3.4 4.6 parsed_1me0 1
125 1 . . . . . 3.9 3.4 4.6 parsed_1me0 1
126 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1
127 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1
128 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1
129 1 . . . . . 3.8 3.3 4.5 parsed_1me0 1
130 1 . . . . . 3.2 2.9 3.7 parsed_1me0 1
131 1 . . . . . 3.1 2.8 3.6 parsed_1me0 1
132 1 . . . . . 3.1 2.8 3.6 parsed_1me0 1
133 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1
134 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1
135 1 . . . . . 4.2 3.7 4.9 parsed_1me0 1
136 1 . . . . . 3.7 3.2 4.4 parsed_1me0 1
137 1 . . . . . 4.3 4.0 4.8 parsed_1me0 1
138 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1
139 1 . . . . . 3.5 3.0 4.5 parsed_1me0 1
140 1 . . . . . 4.0 3.5 5.0 parsed_1me0 1
141 1 . . . . . 3.3 2.8 4.0 parsed_1me0 1
142 1 . . . . . 3.5 3.0 4.5 parsed_1me0 1
143 1 . . . . . 3.8 3.3 4.8 parsed_1me0 1
144 1 . . . . . 4.0 3.5 5.0 parsed_1me0 1
145 1 . . . . . 3.3 3.0 3.8 parsed_1me0 1
146 1 . . . . . 3.3 3.0 3.8 parsed_1me0 1
147 1 . . . . . 3.1 2.8 3.6 parsed_1me0 1
148 1 . . . . . 3.3 3.0 3.8 parsed_1me0 1
149 1 . . . . . 3.1 2.8 3.6 parsed_1me0 1
150 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1
151 1 . . . . . 3.2 2.9 3.7 parsed_1me0 1
152 1 . . . . . 3.3 3.0 3.8 parsed_1me0 1
153 1 . . . . . 3.3 3.0 3.8 parsed_1me0 1
154 1 . . . . . 5.5 5.0 104.5 parsed_1me0 1
155 1 . . . . . 5.5 5.0 104.5 parsed_1me0 1
156 1 . . . . . 5.5 5.0 104.5 parsed_1me0 1
157 1 . . . . . 5.5 5.0 104.5 parsed_1me0 1
158 1 . . . . . 3.5 3.0 102.5 parsed_1me0 1
159 1 . . . . . 3.5 3.0 102.5 parsed_1me0 1
160 1 . . . . . 3.5 3.0 102.5 parsed_1me0 1
161 1 . . . . . 4.0 3.5 103.0 parsed_1me0 1
162 1 . . . . . 4.0 3.5 103.0 parsed_1me0 1
163 1 . . . . . 3.5 3.0 102.5 parsed_1me0 1
164 1 . . . . . 3.5 3.0 102.5 parsed_1me0 1
165 1 . . . . . 5.0 4.5 104.0 parsed_1me0 1
166 1 . . . . . 5.0 4.5 104.0 parsed_1me0 1
167 1 . . . . . 5.0 4.5 104.0 parsed_1me0 1
168 1 . . . . . 5.0 4.5 104.0 parsed_1me0 1
169 1 . . . . . 5.0 4.5 104.0 parsed_1me0 1
170 1 . . . . . 5.0 4.5 104.0 parsed_1me0 1
171 1 . . . . . 5.0 4.5 104.0 parsed_1me0 1
172 1 . . . . . 5.0 4.5 104.0 parsed_1me0 1
173 1 . . . . . 4.5 4.0 103.5 parsed_1me0 1
174 1 . . . . . 4.5 4.0 103.5 parsed_1me0 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
;
-----------------------------------------------------------------
25RNAloopDNAstem (constraints for X-PLOR)
-----------------------------------------------------------------
NOEconstraints=(56+36)+(43+1+7+9)= 152
-----------------------------------------------------------------
intrasugar (56)
-----------------------------------------------------------------
H1'-H2'
;
2 1 10 9 parsed_1me0 1
2 H1'-H2" 24 1 24 10 parsed_1me0 1
3 H1'-H3' 34 1 34 10 parsed_1me0 1
4 H1'-H4' 44 1 44 11 parsed_1me0 1
5 H2'-H3' 58 1 58 11 parsed_1me0 1
6 H2''-H3' 66 1 66 12 parsed_1me0 1
7 H3'-H4' 73 1 73 10 parsed_1me0 1
8
;
-------------------------------------------------------------------
intraresidual base-to-sugar (36)
-------------------------------------------------------------------
H1'-H6/H8
;
80 1 84 12 parsed_1me0 1
9 H2'-H6/H8 98 1 98 12 parsed_1me0 1
10 H3'-H6/H8 113 1 113 11 parsed_1me0 1
11 other 126 1 126 8 parsed_1me0 1
12
;
------------------------------------------------------------------------
sequential interresidual (43)
------------------------------------------------------------------------
H1'-H6/H8
;
129 1 133 12 parsed_1me0 1
13 H2'-H6/H8 145 1 145 12 parsed_1me0 1
14 H2''-H6/H8 157 1 157 13 parsed_1me0 1
15 H3'-H6/H8 166 1 166 12 parsed_1me0 1
16 other 169 1 169 8 parsed_1me0 1
17
;
--------------------------------------------------------------------
long-range interresidual (1)
--------------------------------------------------------------------
;
194 1 196 71 parsed_1me0 1
18
;
--------------------------------------------------------------------
from imino (7)
--------------------------------------------------------------------
;
201 1 203 71 parsed_1me0 1
19
;
---------------------------------------------------------------------
H1'-H5' (9)
---------------------------------------------------------------------
;
214 1 216 71 parsed_1me0 1
20
;
---------------------------------------------------------------------
repulsions (not count)
---------------------------------------------------------------------
;
229 1 231 71 parsed_1me0 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1me0
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 2 . p . 2 . o5' . 2 . c5' . 2 . c4' parsed_1me0 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 3 . p . 3 . o5' . 3 . c5' . 3 . c4' parsed_1me0 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 4 . p . 4 . o5' . 4 . c5' . 4 . c4' parsed_1me0 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 5 . p . 5 . o5' . 5 . c5' . 5 . c4' parsed_1me0 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 6 . p . 6 . o5' . 6 . c5' . 6 . c4' parsed_1me0 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 7 . p . 7 . o5' . 7 . c5' . 7 . c4' parsed_1me0 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 8 . p . 8 . o5' . 8 . c5' . 8 . c4' parsed_1me0 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 9 . p . 9 . o5' . 9 . c5' . 9 . c4' parsed_1me0 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 10 . p . 10 . o5' . 10 . c5' . 10 . c4' parsed_1me0 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 11 . p . 11 . o5' . 11 . c5' . 11 . c4' parsed_1me0 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 12 . p . 12 . o5' . 12 . c5' . 12 . c4' parsed_1me0 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 1 . o5' . 1 . c5' . 1 . c4' . 1 . c3' parsed_1me0 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 2 . o5' . 2 . c5' . 2 . c4' . 2 . c3' parsed_1me0 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 3 . o5' . 3 . c5' . 3 . c4' . 3 . c3' parsed_1me0 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 4 . o5' . 4 . c5' . 4 . c4' . 4 . c3' parsed_1me0 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 5 . o5' . 5 . c5' . 5 . c4' . 5 . c3' parsed_1me0 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 6 . o5' . 6 . c5' . 6 . c4' . 6 . c3' parsed_1me0 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 7 . o5' . 7 . c5' . 7 . c4' . 7 . c3' parsed_1me0 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 8 . o5' . 8 . c5' . 8 . c4' . 8 . c3' parsed_1me0 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 9 . o5' . 9 . c5' . 9 . c4' . 9 . c3' parsed_1me0 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 10 . o5' . 10 . c5' . 10 . c4' . 10 . c3' parsed_1me0 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 11 . o5' . 11 . c5' . 11 . c4' . 11 . c3' parsed_1me0 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 12 . o5' . 12 . c5' . 12 . c4' . 12 . c3' parsed_1me0 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 210.0 . . 1 . c4' . 1 . c3' . 1 . o3' . 2 . p parsed_1me0 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 210.0 . . 2 . c4' . 2 . c3' . 2 . o3' . 3 . p parsed_1me0 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 210.0 . . 3 . c4' . 3 . c3' . 3 . o3' . 4 . p parsed_1me0 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 210.0 . . 4 . c4' . 4 . c3' . 4 . o3' . 5 . p parsed_1me0 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 50.0 . . 5 . H2' . 5 . c2' . 5 . o2' . 6 . p parsed_1me0 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 50.0 . . 6 . H2' . 6 . c2' . 6 . o2' . 7 . p parsed_1me0 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 50.0 . . 7 . H2' . 7 . c2' . 7 . o2' . 8 . p parsed_1me0 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 50.0 . . 8 . H2' . 8 . c2' . 8 . o2' . 9 . p parsed_1me0 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 210.0 . . 9 . c4' . 9 . c3' . 9 . o3' . 10 . p parsed_1me0 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 210.0 . . 10 . c4' . 10 . c3' . 10 . o3' . 11 . p parsed_1me0 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 210.0 . . 11 . c4' . 11 . c3' . 11 . o3' . 12 . p parsed_1me0 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
;
---------------------------------------------------------------------------
constraints on TORSIONS = 94
---------------------------------------------------------------------------
torsion restraints on beta
;
2 1 5 28 parsed_1me0 1
2 "torsion constraints on gamma" 31 1 31 30 parsed_1me0 1
3 "torsion restraints on epsilon" 59 1 59 31 parsed_1me0 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1me0
_Torsion_angle_constraint_list.ID 2
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 1 . c4' . 1 . o4' . 1 . c1' . 1 . c2' parsed_1me0 2
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 2 . c4' . 2 . o4' . 2 . c1' . 2 . c2' parsed_1me0 2
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 3 . c4' . 3 . o4' . 3 . c1' . 3 . c2' parsed_1me0 2
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 4 . c4' . 4 . o4' . 4 . c1' . 4 . c2' parsed_1me0 2
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.3 8.7 . . 5 . c4' . 5 . o4' . 5 . c1' . 5 . c2' parsed_1me0 2
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 6 . c4' . 6 . o4' . 6 . c1' . 6 . c2' parsed_1me0 2
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 7 . c4' . 7 . o4' . 7 . c1' . 7 . c2' parsed_1me0 2
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.3 8.7 . . 8 . c4' . 8 . o4' . 8 . c1' . 8 . c2' parsed_1me0 2
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 9 . c4' . 9 . o4' . 9 . c1' . 9 . c2' parsed_1me0 2
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 10 . c4' . 10 . o4' . 10 . c1' . 10 . c2' parsed_1me0 2
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 11 . c4' . 11 . o4' . 11 . c1' . 11 . c2' parsed_1me0 2
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 12 . c4' . 12 . o4' . 12 . c1' . 12 . c2' parsed_1me0 2
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 1 . o4' . 1 . c1' . 1 . c2' . 1 . c3' parsed_1me0 2
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 2 . o4' . 2 . c1' . 2 . c2' . 2 . c3' parsed_1me0 2
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 3 . o4' . 3 . c1' . 3 . c2' . 3 . c3' parsed_1me0 2
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 4 . o4' . 4 . c1' . 4 . c2' . 4 . c3' parsed_1me0 2
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.7 -10.7 . . 5 . o4' . 5 . c1' . 5 . c2' . 5 . c3' parsed_1me0 2
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 6 . o4' . 6 . c1' . 6 . c2' . 6 . c3' parsed_1me0 2
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 7 . o4' . 7 . c1' . 7 . c2' . 7 . c3' parsed_1me0 2
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.7 -10.7 . . 8 . o4' . 8 . c1' . 8 . c2' . 8 . c3' parsed_1me0 2
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 9 . o4' . 9 . c1' . 9 . c2' . 9 . c3' parsed_1me0 2
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 10 . o4' . 10 . c1' . 10 . c2' . 10 . c3' parsed_1me0 2
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 11 . o4' . 11 . c1' . 11 . c2' . 11 . c3' parsed_1me0 2
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 12 . o4' . 12 . c1' . 12 . c2' . 12 . c3' parsed_1me0 2
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 1 . c1' . 1 . c2' . 1 . c3' . 1 . c4' parsed_1me0 2
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 2 . c1' . 2 . c2' . 2 . c3' . 2 . c4' parsed_1me0 2
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 3 . c1' . 3 . c2' . 3 . c3' . 3 . c4' parsed_1me0 2
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 4 . c1' . 4 . c2' . 4 . c3' . 4 . c4' parsed_1me0 2
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.8 44.8 . . 5 . c1' . 5 . c2' . 5 . c3' . 5 . c4' parsed_1me0 2
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 6 . c1' . 6 . c2' . 6 . c3' . 6 . c4' parsed_1me0 2
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 7 . c1' . 7 . c2' . 7 . c3' . 7 . c4' parsed_1me0 2
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.8 44.8 . . 8 . c1' . 8 . c2' . 8 . c3' . 8 . c4' parsed_1me0 2
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 9 . c1' . 9 . c2' . 9 . c3' . 9 . c4' parsed_1me0 2
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 10 . c1' . 10 . c2' . 10 . c3' . 10 . c4' parsed_1me0 2
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 11 . c1' . 11 . c2' . 11 . c3' . 11 . c4' parsed_1me0 2
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 12 . c1' . 12 . c2' . 12 . c3' . 12 . c4' parsed_1me0 2
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 1 . c2' . 1 . c3' . 1 . c4' . 1 . o4' parsed_1me0 2
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 2 . c2' . 2 . c3' . 2 . c4' . 2 . o4' parsed_1me0 2
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 3 . c2' . 3 . c3' . 3 . c4' . 3 . o4' parsed_1me0 2
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 4 . c2' . 4 . c3' . 4 . c4' . 4 . o4' parsed_1me0 2
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.6 -25.6 . . 5 . c2' . 5 . c3' . 5 . c4' . 5 . o4' parsed_1me0 2
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 6 . c2' . 6 . c3' . 6 . c4' . 6 . o4' parsed_1me0 2
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 7 . c2' . 7 . c3' . 7 . c4' . 7 . o4' parsed_1me0 2
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.6 -25.6 . . 8 . c2' . 8 . c3' . 8 . c4' . 8 . o4' parsed_1me0 2
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 9 . c2' . 9 . c3' . 9 . c4' . 9 . o4' parsed_1me0 2
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 10 . c2' . 10 . c3' . 10 . c4' . 10 . o4' parsed_1me0 2
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 11 . c2' . 11 . c3' . 11 . c4' . 11 . o4' parsed_1me0 2
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 12 . c2' . 12 . c3' . 12 . c4' . 12 . o4' parsed_1me0 2
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 1 . c3' . 1 . c4' . 1 . o4' . 1 . c1' parsed_1me0 2
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 2 . c3' . 2 . c4' . 2 . o4' . 2 . c1' parsed_1me0 2
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 3 . c3' . 3 . c4' . 3 . o4' . 3 . c1' parsed_1me0 2
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 4 . c3' . 4 . c4' . 4 . o4' . 4 . c1' parsed_1me0 2
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.8 32.8 . . 5 . c3' . 5 . c4' . 5 . o4' . 5 . c1' parsed_1me0 2
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 6 . c3' . 6 . c4' . 6 . o4' . 6 . c1' parsed_1me0 2
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 7 . c3' . 7 . c4' . 7 . o4' . 7 . c1' parsed_1me0 2
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.8 32.8 . . 8 . c3' . 8 . c4' . 8 . o4' . 8 . c1' parsed_1me0 2
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 9 . c3' . 9 . c4' . 9 . o4' . 9 . c1' parsed_1me0 2
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 10 . c3' . 10 . c4' . 10 . o4' . 10 . c1' parsed_1me0 2
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 11 . c3' . 11 . c4' . 11 . o4' . 11 . c1' parsed_1me0 2
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 12 . c3' . 12 . c4' . 12 . o4' . 12 . c1' parsed_1me0 2
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
;
constraints on sugar v0, v1, v2, v3 and v4 torsion angles
Calculated from this formula: vj = vmax*cos(P+(j-2)*144),
where j=0,1,2,3,4 and P is the pseudorotational angle and vmax=37
P are 150, 150, 150, 150, 20, 150, 150, 20, 150, 150, 150, 150 respectively
v0
;
3 1 8 4 parsed_1me0 2
2 v1 34 1 34 4 parsed_1me0 2
3 v2 60 1 60 4 parsed_1me0 2
4 v3 86 1 86 4 parsed_1me0 2
5 v4 112 1 112 4 parsed_1me0 2
6 ------------------------------------------------------------------------ 138 1 138 74 parsed_1me0 2
stop_
save_
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