NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
551433 |
2lx5   |
18659 | cing | 2-parsed | STAR | entry | full | 215 |
data_2lx5_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lx5
_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_2lx5 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lx5
_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 2lx5 "Master copy" parsed_2lx5
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lx5
_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 2lx5.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lx5 1
1 2lx5.mr . . DYANA/DIANA 2 distance NOE simple 197 parsed_2lx5 1
1 2lx5.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_2lx5 1
1 2lx5.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2lx5 1
1 2lx5.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lx5 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_2lx5
_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 HYDROLASE INHIBITOR 14-AUG-12 2LX5
*TITLE NMR SOLUTION STRUCTURE OF PEPTIDE EPSILON(103-120) FROM MYCOBACTERIUM
*TITLE 2 TUBERCULOSIS F-ATPSYNTHASE
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ATP SYNTHASE EPSILON CHAIN;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: UNP RESIDUES 103-120;
*COMPND 5 SYNONYM: ATP SYNTHASE F1 SECTOR EPSILON SUBUNIT, F-ATPASE EPSILON
*COMPND 6 SUBUNIT;
*COMPND 7 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS;
*SOURCE 4 ORGANISM_TAXID: 1773
*KEYWDS F-ATPSYNTHASE, EPSILON SUBUNIT, ALPHA HELIX, COUPLING SUBUNIT,
*KEYWDS 2 HYDROLASE INHIBITOR
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR S.BASAK, S.RISHIKESAN, G.GRUBER
*REVDAT 1 07-NOV-12 2LX5 0
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2lx5
_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_2lx5 1
2 1 . . . parsed_2lx5 1
3 1 . . . parsed_2lx5 1
4 1 . . . parsed_2lx5 1
5 1 . . . parsed_2lx5 1
6 1 . . . parsed_2lx5 1
7 1 . . . parsed_2lx5 1
8 1 . . . parsed_2lx5 1
9 1 . . . parsed_2lx5 1
10 1 . . . parsed_2lx5 1
11 1 . . . parsed_2lx5 1
12 1 . . . parsed_2lx5 1
13 1 . . . parsed_2lx5 1
14 1 . . . parsed_2lx5 1
15 1 . . . parsed_2lx5 1
16 1 . . . parsed_2lx5 1
17 1 . . . parsed_2lx5 1
18 1 . . . parsed_2lx5 1
19 1 . . . parsed_2lx5 1
20 1 . . . parsed_2lx5 1
21 1 . . . parsed_2lx5 1
22 1 . . . parsed_2lx5 1
23 1 . . . parsed_2lx5 1
24 1 . . . parsed_2lx5 1
25 1 . . . parsed_2lx5 1
26 1 . . . parsed_2lx5 1
27 1 . . . parsed_2lx5 1
28 1 . . . parsed_2lx5 1
29 1 . . . parsed_2lx5 1
30 1 . . . parsed_2lx5 1
31 1 . . . parsed_2lx5 1
32 1 . . . parsed_2lx5 1
33 1 . . . parsed_2lx5 1
34 1 . . . parsed_2lx5 1
35 1 . . . parsed_2lx5 1
36 1 . . . parsed_2lx5 1
37 1 . . . parsed_2lx5 1
38 1 . . . parsed_2lx5 1
39 1 . . . parsed_2lx5 1
40 1 . . . parsed_2lx5 1
41 1 . . . parsed_2lx5 1
42 1 . . . parsed_2lx5 1
43 1 . . . parsed_2lx5 1
44 1 . . . parsed_2lx5 1
45 1 . . . parsed_2lx5 1
46 1 . . . parsed_2lx5 1
47 1 . . . parsed_2lx5 1
48 1 . . . parsed_2lx5 1
49 1 . . . parsed_2lx5 1
50 1 . . . parsed_2lx5 1
51 1 . . . parsed_2lx5 1
52 1 . . . parsed_2lx5 1
53 1 . . . parsed_2lx5 1
54 1 . . . parsed_2lx5 1
55 1 . . . parsed_2lx5 1
56 1 . . . parsed_2lx5 1
57 1 . . . parsed_2lx5 1
58 1 . . . parsed_2lx5 1
59 1 . . . parsed_2lx5 1
60 1 . . . parsed_2lx5 1
61 1 . . . parsed_2lx5 1
62 1 . . . parsed_2lx5 1
63 1 . . . parsed_2lx5 1
64 1 . . . parsed_2lx5 1
65 1 . . . parsed_2lx5 1
66 1 . . . parsed_2lx5 1
67 1 . . . parsed_2lx5 1
68 1 . . . parsed_2lx5 1
69 1 . . . parsed_2lx5 1
70 1 . . . parsed_2lx5 1
71 1 . . . parsed_2lx5 1
72 1 . . . parsed_2lx5 1
73 1 . . . parsed_2lx5 1
74 1 . . . parsed_2lx5 1
75 1 . . . parsed_2lx5 1
76 1 . . . parsed_2lx5 1
77 1 . . . parsed_2lx5 1
78 1 . . . parsed_2lx5 1
79 1 . . . parsed_2lx5 1
80 1 . . . parsed_2lx5 1
81 1 . . . parsed_2lx5 1
82 1 . . . parsed_2lx5 1
83 1 . . . parsed_2lx5 1
84 1 . . . parsed_2lx5 1
85 1 . . . parsed_2lx5 1
86 1 . . . parsed_2lx5 1
87 1 . . . parsed_2lx5 1
88 1 . . . parsed_2lx5 1
89 1 . . . parsed_2lx5 1
90 1 . . . parsed_2lx5 1
91 1 . . . parsed_2lx5 1
92 1 . . . parsed_2lx5 1
93 1 . . . parsed_2lx5 1
94 1 . . . parsed_2lx5 1
95 1 . . . parsed_2lx5 1
96 1 . . . parsed_2lx5 1
97 1 . . . parsed_2lx5 1
98 1 . . . parsed_2lx5 1
99 1 . . . parsed_2lx5 1
100 1 . . . parsed_2lx5 1
101 1 . . . parsed_2lx5 1
102 1 . . . parsed_2lx5 1
103 1 . . . parsed_2lx5 1
104 1 . . . parsed_2lx5 1
105 1 . . . parsed_2lx5 1
106 1 . . . parsed_2lx5 1
107 1 . . . parsed_2lx5 1
108 1 . . . parsed_2lx5 1
109 1 . . . parsed_2lx5 1
110 1 . . . parsed_2lx5 1
111 1 . . . parsed_2lx5 1
112 1 . . . parsed_2lx5 1
113 1 . . . parsed_2lx5 1
114 1 . . . parsed_2lx5 1
115 1 . . . parsed_2lx5 1
116 1 . . . parsed_2lx5 1
117 1 . . . parsed_2lx5 1
118 1 . . . parsed_2lx5 1
119 1 . . . parsed_2lx5 1
120 1 . . . parsed_2lx5 1
121 1 . . . parsed_2lx5 1
122 1 . . . parsed_2lx5 1
123 1 . . . parsed_2lx5 1
124 1 . . . parsed_2lx5 1
125 1 . . . parsed_2lx5 1
126 1 . . . parsed_2lx5 1
127 1 . . . parsed_2lx5 1
128 1 . . . parsed_2lx5 1
129 1 . . . parsed_2lx5 1
130 1 . . . parsed_2lx5 1
131 1 . . . parsed_2lx5 1
132 1 . . . parsed_2lx5 1
133 1 . . . parsed_2lx5 1
134 1 . . . parsed_2lx5 1
135 1 . . . parsed_2lx5 1
136 1 . . . parsed_2lx5 1
137 1 . . . parsed_2lx5 1
138 1 . . . parsed_2lx5 1
139 1 . . . parsed_2lx5 1
140 1 . . . parsed_2lx5 1
141 1 . . . parsed_2lx5 1
142 1 . . . parsed_2lx5 1
143 1 . . . parsed_2lx5 1
144 1 . . . parsed_2lx5 1
145 1 . . . parsed_2lx5 1
146 1 . . . parsed_2lx5 1
147 1 . . . parsed_2lx5 1
148 1 . . . parsed_2lx5 1
149 1 . . . parsed_2lx5 1
150 1 . . . parsed_2lx5 1
151 1 . . . parsed_2lx5 1
152 1 . . . parsed_2lx5 1
153 1 . . . parsed_2lx5 1
154 1 . . . parsed_2lx5 1
155 1 . . . parsed_2lx5 1
156 1 . . . parsed_2lx5 1
157 1 . . . parsed_2lx5 1
158 1 . . . parsed_2lx5 1
159 1 . . . parsed_2lx5 1
160 1 . . . parsed_2lx5 1
161 1 . . . parsed_2lx5 1
162 1 . . . parsed_2lx5 1
163 1 . . . parsed_2lx5 1
164 1 . . . parsed_2lx5 1
165 1 . . . parsed_2lx5 1
166 1 . . . parsed_2lx5 1
167 1 . . . parsed_2lx5 1
168 1 . . . parsed_2lx5 1
169 1 . . . parsed_2lx5 1
170 1 . . . parsed_2lx5 1
171 1 . . . parsed_2lx5 1
172 1 . . . parsed_2lx5 1
173 1 . . . parsed_2lx5 1
174 1 . . . parsed_2lx5 1
175 1 . . . parsed_2lx5 1
176 1 . . . parsed_2lx5 1
177 1 . . . parsed_2lx5 1
178 1 . . . parsed_2lx5 1
179 1 . . . parsed_2lx5 1
180 1 . . . parsed_2lx5 1
181 1 . . . parsed_2lx5 1
182 1 . . . parsed_2lx5 1
183 1 . . . parsed_2lx5 1
184 1 . . . parsed_2lx5 1
185 1 . . . parsed_2lx5 1
186 1 . . . parsed_2lx5 1
187 1 . . . parsed_2lx5 1
188 1 . . . parsed_2lx5 1
189 1 . . . parsed_2lx5 1
190 1 . . . parsed_2lx5 1
191 1 . . . parsed_2lx5 1
192 1 . . . parsed_2lx5 1
193 1 . . . parsed_2lx5 1
194 1 . . . parsed_2lx5 1
195 1 . . . parsed_2lx5 1
196 1 . . . parsed_2lx5 1
197 1 . . . parsed_2lx5 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 . . . . . . . . . 15 VAL H parsed_2lx5 1
1 1 2 . . . . . . . . . 15 VAL HA parsed_2lx5 1
2 1 1 . . . . . . . . . 16 GLY H parsed_2lx5 1
2 1 2 . . . . . . . . . 16 GLY HA3 parsed_2lx5 1
3 1 1 . . . . . . . . . 16 GLY H parsed_2lx5 1
3 1 2 . . . . . . . . . 16 GLY HA2 parsed_2lx5 1
4 1 1 . . . . . . . . . 15 VAL H parsed_2lx5 1
4 1 2 . . . . . . . . . 15 VAL HB parsed_2lx5 1
5 1 1 . . . . . . . . . 15 VAL HB parsed_2lx5 1
5 1 2 . . . . . . . . . 16 GLY H parsed_2lx5 1
6 1 1 . . . . . . . . . 17 ALA H parsed_2lx5 1
6 1 2 . . . . . . . . . 17 ALA HA parsed_2lx5 1
7 1 1 . . . . . . . . . 16 GLY HA3 parsed_2lx5 1
7 1 2 . . . . . . . . . 17 ALA H parsed_2lx5 1
8 1 1 . . . . . . . . . 16 GLY HA2 parsed_2lx5 1
8 1 2 . . . . . . . . . 17 ALA H parsed_2lx5 1
9 1 1 . . . . . . . . . 18 ILE H parsed_2lx5 1
9 1 2 . . . . . . . . . 18 ILE HA parsed_2lx5 1
10 1 1 . . . . . . . . . 17 ALA HA parsed_2lx5 1
10 1 2 . . . . . . . . . 18 ILE H parsed_2lx5 1
11 1 1 . . . . . . . . . 15 VAL HA parsed_2lx5 1
11 1 2 . . . . . . . . . 16 GLY H parsed_2lx5 1
12 1 1 . . . . . . . . . 18 ILE H parsed_2lx5 1
12 1 2 . . . . . . . . . 18 ILE HB parsed_2lx5 1
13 1 1 . . . . . . . . . 4 ILE H parsed_2lx5 1
13 1 2 . . . . . . . . . 4 ILE HA parsed_2lx5 1
14 1 1 . . . . . . . . . 14 ALA H parsed_2lx5 1
14 1 2 . . . . . . . . . 14 ALA HA parsed_2lx5 1
15 1 1 . . . . . . . . . 13 ARG H parsed_2lx5 1
15 1 2 . . . . . . . . . 13 ARG HA parsed_2lx5 1
16 1 1 . . . . . . . . . 4 ILE H parsed_2lx5 1
16 1 2 . . . . . . . . . 4 ILE HB parsed_2lx5 1
17 1 1 . . . . . . . . . 3 ARG H parsed_2lx5 1
17 1 2 . . . . . . . . . 3 ARG HA parsed_2lx5 1
18 1 1 . . . . . . . . . 3 ARG H parsed_2lx5 1
18 1 2 . . . . . . . . . 3 ARG HB2 parsed_2lx5 1
19 1 1 . . . . . . . . . 3 ARG H parsed_2lx5 1
19 1 2 . . . . . . . . . 3 ARG HB3 parsed_2lx5 1
20 1 1 . . . . . . . . . 3 ARG HB2 parsed_2lx5 1
20 1 2 . . . . . . . . . 4 ILE H parsed_2lx5 1
21 1 1 . . . . . . . . . 3 ARG HB3 parsed_2lx5 1
21 1 2 . . . . . . . . . 4 ILE H parsed_2lx5 1
22 1 1 . . . . . . . . . 5 ALA H parsed_2lx5 1
22 1 2 . . . . . . . . . 5 ALA HA parsed_2lx5 1
23 1 1 . . . . . . . . . 4 ILE HB parsed_2lx5 1
23 1 2 . . . . . . . . . 5 ALA H parsed_2lx5 1
24 1 1 . . . . . . . . . 9 ARG H parsed_2lx5 1
24 1 2 . . . . . . . . . 9 ARG HA parsed_2lx5 1
25 1 1 . . . . . . . . . 12 LEU H parsed_2lx5 1
25 1 2 . . . . . . . . . 12 LEU HA parsed_2lx5 1
26 1 1 . . . . . . . . . 14 ALA HA parsed_2lx5 1
26 1 2 . . . . . . . . . 17 ALA H parsed_2lx5 1
27 1 1 . . . . . . . . . 11 ARG HA parsed_2lx5 1
27 1 2 . . . . . . . . . 12 LEU H parsed_2lx5 1
28 1 1 . . . . . . . . . 11 ARG H parsed_2lx5 1
28 1 2 . . . . . . . . . 11 ARG HA parsed_2lx5 1
29 1 1 . . . . . . . . . 3 ARG HA parsed_2lx5 1
29 1 2 . . . . . . . . . 4 ILE H parsed_2lx5 1
30 1 1 . . . . . . . . . 8 GLY H parsed_2lx5 1
30 1 2 . . . . . . . . . 8 GLY HA2 parsed_2lx5 1
31 1 1 . . . . . . . . . 9 ARG H parsed_2lx5 1
31 1 2 . . . . . . . . . 9 ARG HB3 parsed_2lx5 1
32 1 1 . . . . . . . . . 9 ARG H parsed_2lx5 1
32 1 2 . . . . . . . . . 9 ARG HB2 parsed_2lx5 1
33 1 1 . . . . . . . . . 11 ARG H parsed_2lx5 1
33 1 2 . . . . . . . . . 11 ARG HB2 parsed_2lx5 1
34 1 1 . . . . . . . . . 11 ARG H parsed_2lx5 1
34 1 2 . . . . . . . . . 11 ARG HB3 parsed_2lx5 1
35 1 1 . . . . . . . . . 8 GLY H parsed_2lx5 1
35 1 2 . . . . . . . . . 7 ARG HB2 parsed_2lx5 1
36 1 1 . . . . . . . . . 8 GLY HA2 parsed_2lx5 1
36 1 2 . . . . . . . . . 9 ARG H parsed_2lx5 1
37 1 1 . . . . . . . . . 13 ARG H parsed_2lx5 1
37 1 2 . . . . . . . . . 13 ARG HB3 parsed_2lx5 1
38 1 1 . . . . . . . . . 13 ARG H parsed_2lx5 1
38 1 2 . . . . . . . . . 13 ARG HB2 parsed_2lx5 1
39 1 1 . . . . . . . . . 13 ARG HA parsed_2lx5 1
39 1 2 . . . . . . . . . 16 GLY H parsed_2lx5 1
40 1 1 . . . . . . . . . 13 ARG HA parsed_2lx5 1
40 1 2 . . . . . . . . . 14 ALA H parsed_2lx5 1
41 1 1 . . . . . . . . . 7 ARG H parsed_2lx5 1
41 1 2 . . . . . . . . . 7 ARG HA parsed_2lx5 1
42 1 1 . . . . . . . . . 8 GLY HA2 parsed_2lx5 1
42 1 2 . . . . . . . . . 11 ARG H parsed_2lx5 1
43 1 1 . . . . . . . . . 4 ILE HA parsed_2lx5 1
43 1 2 . . . . . . . . . 7 ARG H parsed_2lx5 1
44 1 1 . . . . . . . . . 4 ILE HA parsed_2lx5 1
44 1 2 . . . . . . . . . 5 ALA H parsed_2lx5 1
45 1 1 . . . . . . . . . 7 ARG H parsed_2lx5 1
45 1 2 . . . . . . . . . 7 ARG HB2 parsed_2lx5 1
46 1 1 . . . . . . . . . 7 ARG H parsed_2lx5 1
46 1 2 . . . . . . . . . 7 ARG HB3 parsed_2lx5 1
47 1 1 . . . . . . . . . 12 LEU H parsed_2lx5 1
47 1 2 . . . . . . . . . 12 LEU HB2 parsed_2lx5 1
48 1 1 . . . . . . . . . 7 ARG HB3 parsed_2lx5 1
48 1 2 . . . . . . . . . 8 GLY H parsed_2lx5 1
49 1 1 . . . . . . . . . 6 ALA H parsed_2lx5 1
49 1 2 . . . . . . . . . 6 ALA HA parsed_2lx5 1
50 1 1 . . . . . . . . . 10 ALA H parsed_2lx5 1
50 1 2 . . . . . . . . . 10 ALA HA parsed_2lx5 1
51 1 1 . . . . . . . . . 11 ARG HB3 parsed_2lx5 1
51 1 2 . . . . . . . . . 12 LEU H parsed_2lx5 1
52 1 1 . . . . . . . . . 11 ARG HB2 parsed_2lx5 1
52 1 2 . . . . . . . . . 12 LEU H parsed_2lx5 1
53 1 1 . . . . . . . . . 12 LEU HB2 parsed_2lx5 1
53 1 2 . . . . . . . . . 13 ARG H parsed_2lx5 1
54 1 1 . . . . . . . . . 3 ARG HA parsed_2lx5 1
54 1 2 . . . . . . . . . 6 ALA H parsed_2lx5 1
55 1 1 . . . . . . . . . 5 ALA HA parsed_2lx5 1
55 1 2 . . . . . . . . . 8 GLY H parsed_2lx5 1
56 1 1 . . . . . . . . . 12 LEU HA parsed_2lx5 1
56 1 2 . . . . . . . . . 15 VAL HB parsed_2lx5 1
57 1 1 . . . . . . . . . 1 ASP H parsed_2lx5 1
57 1 2 . . . . . . . . . 1 ASP HB2 parsed_2lx5 1
58 1 1 . . . . . . . . . 1 ASP H parsed_2lx5 1
58 1 2 . . . . . . . . . 1 ASP HB3 parsed_2lx5 1
59 1 1 . . . . . . . . . 1 ASP HB2 parsed_2lx5 1
59 1 2 . . . . . . . . . 4 ILE H parsed_2lx5 1
60 1 1 . . . . . . . . . 1 ASP HB3 parsed_2lx5 1
60 1 2 . . . . . . . . . 4 ILE H parsed_2lx5 1
61 1 1 . . . . . . . . . 3 ARG H parsed_2lx5 1
61 1 2 . . . . . . . . . 4 ILE HA parsed_2lx5 1
62 1 1 . . . . . . . . . 2 PRO HB2 parsed_2lx5 1
62 1 2 . . . . . . . . . 3 ARG H parsed_2lx5 1
63 1 1 . . . . . . . . . 1 ASP HB3 parsed_2lx5 1
63 1 2 . . . . . . . . . 2 PRO HA parsed_2lx5 1
64 1 1 . . . . . . . . . 3 ARG HB2 parsed_2lx5 1
64 1 2 . . . . . . . . . 4 ILE HA parsed_2lx5 1
65 1 1 . . . . . . . . . 7 ARG HA parsed_2lx5 1
65 1 2 . . . . . . . . . 8 GLY H parsed_2lx5 1
66 1 1 . . . . . . . . . 4 ILE H parsed_2lx5 1
66 1 2 . . . . . . . . . 5 ALA H parsed_2lx5 1
67 1 1 . . . . . . . . . 17 ALA H parsed_2lx5 1
67 1 2 . . . . . . . . . 18 ILE H parsed_2lx5 1
68 1 1 . . . . . . . . . 3 ARG H parsed_2lx5 1
68 1 2 . . . . . . . . . 4 ILE H parsed_2lx5 1
69 1 1 . . . . . . . . . 4 ILE H parsed_2lx5 1
69 1 2 . . . . . . . . . 6 ALA H parsed_2lx5 1
70 1 1 . . . . . . . . . 5 ALA H parsed_2lx5 1
70 1 2 . . . . . . . . . 6 ALA H parsed_2lx5 1
71 1 1 . . . . . . . . . 12 LEU H parsed_2lx5 1
71 1 2 . . . . . . . . . 13 ARG H parsed_2lx5 1
72 1 1 . . . . . . . . . 15 VAL H parsed_2lx5 1
72 1 2 . . . . . . . . . 16 GLY H parsed_2lx5 1
73 1 1 . . . . . . . . . 9 ARG H parsed_2lx5 1
73 1 2 . . . . . . . . . 10 ALA H parsed_2lx5 1
74 1 1 . . . . . . . . . 14 ALA H parsed_2lx5 1
74 1 2 . . . . . . . . . 15 VAL H parsed_2lx5 1
75 1 1 . . . . . . . . . 8 GLY H parsed_2lx5 1
75 1 2 . . . . . . . . . 9 ARG H parsed_2lx5 1
76 1 1 . . . . . . . . . 7 ARG H parsed_2lx5 1
76 1 2 . . . . . . . . . 8 GLY H parsed_2lx5 1
77 1 1 . . . . . . . . . 3 ARG H parsed_2lx5 1
77 1 2 . . . . . . . . . 5 ALA H parsed_2lx5 1
78 1 1 . . . . . . . . . 10 ALA H parsed_2lx5 1
78 1 2 . . . . . . . . . 11 ARG H parsed_2lx5 1
79 1 1 . . . . . . . . . 15 VAL HA parsed_2lx5 1
79 1 2 . . . . . . . . . 18 ILE H parsed_2lx5 1
80 1 1 . . . . . . . . . 2 PRO HA parsed_2lx5 1
80 1 2 . . . . . . . . . 6 ALA H parsed_2lx5 1
81 1 1 . . . . . . . . . 2 PRO HA parsed_2lx5 1
81 1 2 . . . . . . . . . 3 ARG H parsed_2lx5 1
82 1 1 . . . . . . . . . 2 PRO HA parsed_2lx5 1
82 1 2 . . . . . . . . . 5 ALA H parsed_2lx5 1
83 1 1 . . . . . . . . . 4 ILE HA parsed_2lx5 1
83 1 2 . . . . . . . . . 6 ALA H parsed_2lx5 1
84 1 1 . . . . . . . . . 18 ILE H parsed_2lx5 1
84 1 2 . . . . . . . . . 18 ILE HG12 parsed_2lx5 1
85 1 1 . . . . . . . . . 18 ILE H parsed_2lx5 1
85 1 2 . . . . . . . . . 18 ILE HG13 parsed_2lx5 1
86 1 1 . . . . . . . . . 4 ILE H parsed_2lx5 1
86 1 2 . . . . . . . . . 4 ILE HG12 parsed_2lx5 1
87 1 1 . . . . . . . . . 4 ILE H parsed_2lx5 1
87 1 2 . . . . . . . . . 4 ILE HG13 parsed_2lx5 1
88 1 1 . . . . . . . . . 2 PRO HG3 parsed_2lx5 1
88 1 2 . . . . . . . . . 3 ARG H parsed_2lx5 1
89 1 1 . . . . . . . . . 3 ARG H parsed_2lx5 1
89 1 2 . . . . . . . . . 3 ARG HG2 parsed_2lx5 1
90 1 1 . . . . . . . . . 3 ARG H parsed_2lx5 1
90 1 2 . . . . . . . . . 3 ARG HD2 parsed_2lx5 1
91 1 1 . . . . . . . . . 3 ARG H parsed_2lx5 1
91 1 2 . . . . . . . . . 3 ARG HD3 parsed_2lx5 1
92 1 1 . . . . . . . . . 3 ARG HG2 parsed_2lx5 1
92 1 2 . . . . . . . . . 4 ILE H parsed_2lx5 1
93 1 1 . . . . . . . . . 3 ARG HG2 parsed_2lx5 1
93 1 2 . . . . . . . . . 3 ARG HE parsed_2lx5 1
94 1 1 . . . . . . . . . 3 ARG HB3 parsed_2lx5 1
94 1 2 . . . . . . . . . 3 ARG HE parsed_2lx5 1
95 1 1 . . . . . . . . . 3 ARG HB2 parsed_2lx5 1
95 1 2 . . . . . . . . . 3 ARG HE parsed_2lx5 1
96 1 1 . . . . . . . . . 3 ARG HD3 parsed_2lx5 1
96 1 2 . . . . . . . . . 3 ARG HE parsed_2lx5 1
97 1 1 . . . . . . . . . 3 ARG HD2 parsed_2lx5 1
97 1 2 . . . . . . . . . 3 ARG HE parsed_2lx5 1
98 1 1 . . . . . . . . . 4 ILE HG12 parsed_2lx5 1
98 1 2 . . . . . . . . . 5 ALA H parsed_2lx5 1
99 1 1 . . . . . . . . . 4 ILE HG13 parsed_2lx5 1
99 1 2 . . . . . . . . . 5 ALA H parsed_2lx5 1
100 1 1 . . . . . . . . . 9 ARG H parsed_2lx5 1
100 1 2 . . . . . . . . . 9 ARG HG2 parsed_2lx5 1
101 1 1 . . . . . . . . . 11 ARG H parsed_2lx5 1
101 1 2 . . . . . . . . . 11 ARG HG2 parsed_2lx5 1
102 1 1 . . . . . . . . . 9 ARG H parsed_2lx5 1
102 1 2 . . . . . . . . . 9 ARG HD2 parsed_2lx5 1
103 1 1 . . . . . . . . . 12 LEU H parsed_2lx5 1
103 1 2 . . . . . . . . . 12 LEU HG parsed_2lx5 1
104 1 1 . . . . . . . . . 12 LEU HG parsed_2lx5 1
104 1 2 . . . . . . . . . 13 ARG H parsed_2lx5 1
105 1 1 . . . . . . . . . 13 ARG H parsed_2lx5 1
105 1 2 . . . . . . . . . 13 ARG HG3 parsed_2lx5 1
106 1 1 . . . . . . . . . 13 ARG H parsed_2lx5 1
106 1 2 . . . . . . . . . 13 ARG HG2 parsed_2lx5 1
107 1 1 . . . . . . . . . 11 ARG HD2 parsed_2lx5 1
107 1 2 . . . . . . . . . 12 LEU H parsed_2lx5 1
108 1 1 . . . . . . . . . 13 ARG H parsed_2lx5 1
108 1 2 . . . . . . . . . 13 ARG HD2 parsed_2lx5 1
109 1 1 . . . . . . . . . 7 ARG H parsed_2lx5 1
109 1 2 . . . . . . . . . 7 ARG HD2 parsed_2lx5 1
110 1 1 . . . . . . . . . 11 ARG H parsed_2lx5 1
110 1 2 . . . . . . . . . 11 ARG HG3 parsed_2lx5 1
111 1 1 . . . . . . . . . 7 ARG H parsed_2lx5 1
111 1 2 . . . . . . . . . 7 ARG HG2 parsed_2lx5 1
112 1 1 . . . . . . . . . 11 ARG HG2 parsed_2lx5 1
112 1 2 . . . . . . . . . 12 LEU H parsed_2lx5 1
113 1 1 . . . . . . . . . 11 ARG HG3 parsed_2lx5 1
113 1 2 . . . . . . . . . 12 LEU H parsed_2lx5 1
114 1 1 . . . . . . . . . 2 PRO HD3 parsed_2lx5 1
114 1 2 . . . . . . . . . 3 ARG H parsed_2lx5 1
115 1 1 . . . . . . . . . 2 PRO HD3 parsed_2lx5 1
115 1 2 . . . . . . . . . 2 PRO HA parsed_2lx5 1
116 1 1 . . . . . . . . . 2 PRO HD2 parsed_2lx5 1
116 1 2 . . . . . . . . . 3 ARG H parsed_2lx5 1
117 1 1 . . . . . . . . . 2 PRO HG2 parsed_2lx5 1
117 1 2 . . . . . . . . . 2 PRO HD3 parsed_2lx5 1
118 1 1 . . . . . . . . . 1 ASP HB3 parsed_2lx5 1
118 1 2 . . . . . . . . . 2 PRO HD3 parsed_2lx5 1
119 1 1 . . . . . . . . . 17 ALA H parsed_2lx5 1
119 1 2 . . . . . . . . . 18 ILE HG13 parsed_2lx5 1
120 1 1 . . . . . . . . . 3 ARG HB3 parsed_2lx5 1
120 1 2 . . . . . . . . . 3 ARG HD2 parsed_2lx5 1
121 1 1 . . . . . . . . . 3 ARG HB2 parsed_2lx5 1
121 1 2 . . . . . . . . . 3 ARG HD2 parsed_2lx5 1
122 1 1 . . . . . . . . . 1 ASP HB2 parsed_2lx5 1
122 1 2 . . . . . . . . . 2 PRO HD3 parsed_2lx5 1
123 1 1 . . . . . . . . . 1 ASP HB2 parsed_2lx5 1
123 1 2 . . . . . . . . . 4 ILE HB parsed_2lx5 1
124 1 1 . . . . . . . . . 1 ASP HB3 parsed_2lx5 1
124 1 2 . . . . . . . . . 4 ILE HB parsed_2lx5 1
125 1 1 . . . . . . . . . 1 ASP HB2 parsed_2lx5 1
125 1 2 . . . . . . . . . 4 ILE HG12 parsed_2lx5 1
126 1 1 . . . . . . . . . 1 ASP HB3 parsed_2lx5 1
126 1 2 . . . . . . . . . 4 ILE HG12 parsed_2lx5 1
127 1 1 . . . . . . . . . 1 ASP HB2 parsed_2lx5 1
127 1 2 . . . . . . . . . 4 ILE HG13 parsed_2lx5 1
128 1 1 . . . . . . . . . 1 ASP HB3 parsed_2lx5 1
128 1 2 . . . . . . . . . 4 ILE HG13 parsed_2lx5 1
129 1 1 . . . . . . . . . 11 ARG H parsed_2lx5 1
129 1 2 . . . . . . . . . 11 ARG HD2 parsed_2lx5 1
130 1 1 . . . . . . . . . 7 ARG HD2 parsed_2lx5 1
130 1 2 . . . . . . . . . 8 GLY H parsed_2lx5 1
131 1 1 . . . . . . . . . 7 ARG HG2 parsed_2lx5 1
131 1 2 . . . . . . . . . 8 GLY H parsed_2lx5 1
132 1 1 . . . . . . . . . 3 ARG H parsed_2lx5 1
132 1 2 . . . . . . . . . 3 ARG HE parsed_2lx5 1
133 1 1 . . . . . . . . . 13 ARG HA parsed_2lx5 1
133 1 2 . . . . . . . . . 13 ARG HE parsed_2lx5 1
134 1 1 . . . . . . . . . 11 ARG HB2 parsed_2lx5 1
134 1 2 . . . . . . . . . 11 ARG HE parsed_2lx5 1
135 1 1 . . . . . . . . . 11 ARG HB3 parsed_2lx5 1
135 1 2 . . . . . . . . . 11 ARG HE parsed_2lx5 1
136 1 1 . . . . . . . . . 11 ARG HG2 parsed_2lx5 1
136 1 2 . . . . . . . . . 11 ARG HE parsed_2lx5 1
137 1 1 . . . . . . . . . 11 ARG HG3 parsed_2lx5 1
137 1 2 . . . . . . . . . 11 ARG HE parsed_2lx5 1
138 1 1 . . . . . . . . . 11 ARG HD2 parsed_2lx5 1
138 1 2 . . . . . . . . . 11 ARG HE parsed_2lx5 1
139 1 1 . . . . . . . . . 11 ARG HA parsed_2lx5 1
139 1 2 . . . . . . . . . 11 ARG HE parsed_2lx5 1
140 1 1 . . . . . . . . . 7 ARG HB2 parsed_2lx5 1
140 1 2 . . . . . . . . . 7 ARG HE parsed_2lx5 1
141 1 1 . . . . . . . . . 7 ARG HB3 parsed_2lx5 1
141 1 2 . . . . . . . . . 7 ARG HE parsed_2lx5 1
142 1 1 . . . . . . . . . 13 ARG HG3 parsed_2lx5 1
142 1 2 . . . . . . . . . 13 ARG HE parsed_2lx5 1
143 1 1 . . . . . . . . . 3 ARG H parsed_2lx5 1
143 1 2 . . . . . . . . . 4 ILE HG13 parsed_2lx5 1
144 1 1 . . . . . . . . . 15 VAL H parsed_2lx5 1
144 1 2 . . . . . . . . . 15 VAL QG1 parsed_2lx5 1
145 1 1 . . . . . . . . . 15 VAL H parsed_2lx5 1
145 1 2 . . . . . . . . . 15 VAL QG2 parsed_2lx5 1
146 1 1 . . . . . . . . . 15 VAL QG2 parsed_2lx5 1
146 1 2 . . . . . . . . . 16 GLY H parsed_2lx5 1
147 1 1 . . . . . . . . . 15 VAL QG1 parsed_2lx5 1
147 1 2 . . . . . . . . . 16 GLY H parsed_2lx5 1
148 1 1 . . . . . . . . . 17 ALA H parsed_2lx5 1
148 1 2 . . . . . . . . . 17 ALA QB parsed_2lx5 1
149 1 1 . . . . . . . . . 17 ALA QB parsed_2lx5 1
149 1 2 . . . . . . . . . 18 ILE H parsed_2lx5 1
150 1 1 . . . . . . . . . 18 ILE H parsed_2lx5 1
150 1 2 . . . . . . . . . 18 ILE QG2 parsed_2lx5 1
151 1 1 . . . . . . . . . 18 ILE H parsed_2lx5 1
151 1 2 . . . . . . . . . 18 ILE QD1 parsed_2lx5 1
152 1 1 . . . . . . . . . 3 ARG H parsed_2lx5 1
152 1 2 . . . . . . . . . 6 ALA QB parsed_2lx5 1
153 1 1 . . . . . . . . . 14 ALA H parsed_2lx5 1
153 1 2 . . . . . . . . . 14 ALA QB parsed_2lx5 1
154 1 1 . . . . . . . . . 4 ILE H parsed_2lx5 1
154 1 2 . . . . . . . . . 4 ILE QG2 parsed_2lx5 1
155 1 1 . . . . . . . . . 4 ILE H parsed_2lx5 1
155 1 2 . . . . . . . . . 4 ILE QD1 parsed_2lx5 1
156 1 1 . . . . . . . . . 5 ALA H parsed_2lx5 1
156 1 2 . . . . . . . . . 5 ALA QB parsed_2lx5 1
157 1 1 . . . . . . . . . 4 ILE QG2 parsed_2lx5 1
157 1 2 . . . . . . . . . 5 ALA H parsed_2lx5 1
158 1 1 . . . . . . . . . 14 ALA QB parsed_2lx5 1
158 1 2 . . . . . . . . . 15 VAL H parsed_2lx5 1
159 1 1 . . . . . . . . . 6 ALA QB parsed_2lx5 1
159 1 2 . . . . . . . . . 7 ARG H parsed_2lx5 1
160 1 1 . . . . . . . . . 12 LEU H parsed_2lx5 1
160 1 2 . . . . . . . . . 12 LEU QD2 parsed_2lx5 1
161 1 1 . . . . . . . . . 12 LEU H parsed_2lx5 1
161 1 2 . . . . . . . . . 12 LEU QD1 parsed_2lx5 1
162 1 1 . . . . . . . . . 10 ALA H parsed_2lx5 1
162 1 2 . . . . . . . . . 10 ALA QB parsed_2lx5 1
163 1 1 . . . . . . . . . 6 ALA H parsed_2lx5 1
163 1 2 . . . . . . . . . 6 ALA QB parsed_2lx5 1
164 1 1 . . . . . . . . . 12 LEU QD1 parsed_2lx5 1
164 1 2 . . . . . . . . . 13 ARG H parsed_2lx5 1
165 1 1 . . . . . . . . . 12 LEU QD2 parsed_2lx5 1
165 1 2 . . . . . . . . . 13 ARG H parsed_2lx5 1
166 1 1 . . . . . . . . . 14 ALA H parsed_2lx5 1
166 1 2 . . . . . . . . . 15 VAL QG1 parsed_2lx5 1
167 1 1 . . . . . . . . . 14 ALA H parsed_2lx5 1
167 1 2 . . . . . . . . . 15 VAL QG2 parsed_2lx5 1
168 1 1 . . . . . . . . . 11 ARG H parsed_2lx5 1
168 1 2 . . . . . . . . . 12 LEU QD1 parsed_2lx5 1
169 1 1 . . . . . . . . . 11 ARG H parsed_2lx5 1
169 1 2 . . . . . . . . . 12 LEU QD2 parsed_2lx5 1
170 1 1 . . . . . . . . . 4 ILE QG2 parsed_2lx5 1
170 1 2 . . . . . . . . . 6 ALA H parsed_2lx5 1
171 1 1 . . . . . . . . . 9 ARG H parsed_2lx5 1
171 1 2 . . . . . . . . . 10 ALA QB parsed_2lx5 1
172 1 1 . . . . . . . . . 14 ALA HA parsed_2lx5 1
172 1 2 . . . . . . . . . 17 ALA QB parsed_2lx5 1
173 1 1 . . . . . . . . . 12 LEU HA parsed_2lx5 1
173 1 2 . . . . . . . . . 15 VAL QG1 parsed_2lx5 1
174 1 1 . . . . . . . . . 4 ILE QG2 parsed_2lx5 1
174 1 2 . . . . . . . . . 7 ARG H parsed_2lx5 1
175 1 1 . . . . . . . . . 12 LEU HA parsed_2lx5 1
175 1 2 . . . . . . . . . 15 VAL QG2 parsed_2lx5 1
176 1 1 . . . . . . . . . 11 ARG HD2 parsed_2lx5 1
176 1 2 . . . . . . . . . 12 LEU QD1 parsed_2lx5 1
177 1 1 . . . . . . . . . 4 ILE H parsed_2lx5 1
177 1 2 . . . . . . . . . 5 ALA QB parsed_2lx5 1
178 1 1 . . . . . . . . . 3 ARG H parsed_2lx5 1
178 1 2 . . . . . . . . . 4 ILE QG2 parsed_2lx5 1
179 1 1 . . . . . . . . . 15 VAL HA parsed_2lx5 1
179 1 2 . . . . . . . . . 18 ILE QD1 parsed_2lx5 1
180 1 1 . . . . . . . . . 14 ALA QB parsed_2lx5 1
180 1 2 . . . . . . . . . 13 ARG HE parsed_2lx5 1
181 1 1 . . . . . . . . . 5 ALA HA parsed_2lx5 1
181 1 2 . . . . . . . . . 4 ILE H parsed_2lx5 1
182 1 1 . . . . . . . . . 9 ARG HB2 parsed_2lx5 1
182 1 2 . . . . . . . . . 8 GLY H parsed_2lx5 1
183 1 1 . . . . . . . . . 9 ARG HB3 parsed_2lx5 1
183 1 2 . . . . . . . . . 8 GLY H parsed_2lx5 1
184 1 1 . . . . . . . . . 9 ARG HB3 parsed_2lx5 1
184 1 2 . . . . . . . . . 10 ALA H parsed_2lx5 1
185 1 1 . . . . . . . . . 10 ALA QB parsed_2lx5 1
185 1 2 . . . . . . . . . 11 ARG H parsed_2lx5 1
186 1 1 . . . . . . . . . 8 GLY HA2 parsed_2lx5 1
186 1 2 . . . . . . . . . 7 ARG H parsed_2lx5 1
187 1 1 . . . . . . . . . 10 ALA HA parsed_2lx5 1
187 1 2 . . . . . . . . . 9 ARG H parsed_2lx5 1
188 1 1 . . . . . . . . . 7 ARG HB2 parsed_2lx5 1
188 1 2 . . . . . . . . . 8 GLY HA2 parsed_2lx5 1
189 1 1 . . . . . . . . . 7 ARG HB3 parsed_2lx5 1
189 1 2 . . . . . . . . . 8 GLY HA parsed_2lx5 1
190 1 1 . . . . . . . . . 7 ARG HG2 parsed_2lx5 1
190 1 2 . . . . . . . . . 8 GLY HA2 parsed_2lx5 1
191 1 1 . . . . . . . . . 4 ILE HB parsed_2lx5 1
191 1 2 . . . . . . . . . 3 ARG HA parsed_2lx5 1
192 1 1 . . . . . . . . . 11 ARG HA parsed_2lx5 1
192 1 2 . . . . . . . . . 14 ALA H parsed_2lx5 1
193 1 1 . . . . . . . . . 9 ARG HA parsed_2lx5 1
193 1 2 . . . . . . . . . 12 LEU H parsed_2lx5 1
194 1 1 . . . . . . . . . 6 ALA HA parsed_2lx5 1
194 1 2 . . . . . . . . . 9 ARG H parsed_2lx5 1
195 1 1 . . . . . . . . . 5 ALA HA parsed_2lx5 1
195 1 2 . . . . . . . . . 6 ALA H parsed_2lx5 1
196 1 1 . . . . . . . . . 8 GLY HA2 parsed_2lx5 1
196 1 2 . . . . . . . . . 10 ALA H parsed_2lx5 1
197 1 1 . . . . . . . . . 11 ARG H parsed_2lx5 1
197 1 2 . . . . . . . . . 13 ARG H parsed_2lx5 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 3.02 parsed_2lx5 1
2 1 . . . . . . . 2.90 parsed_2lx5 1
3 1 . . . . . . . 2.93 parsed_2lx5 1
4 1 . . . . . . . 3.11 parsed_2lx5 1
5 1 . . . . . . . 3.70 parsed_2lx5 1
6 1 . . . . . . . 3.14 parsed_2lx5 1
7 1 . . . . . . . 3.27 parsed_2lx5 1
8 1 . . . . . . . 4.00 parsed_2lx5 1
9 1 . . . . . . . 3.08 parsed_2lx5 1
10 1 . . . . . . . 4.00 parsed_2lx5 1
11 1 . . . . . . . 4.00 parsed_2lx5 1
12 1 . . . . . . . 3.52 parsed_2lx5 1
13 1 . . . . . . . 3.17 parsed_2lx5 1
14 1 . . . . . . . 2.99 parsed_2lx5 1
15 1 . . . . . . . 2.95 parsed_2lx5 1
16 1 . . . . . . . 2.90 parsed_2lx5 1
17 1 . . . . . . . 3.21 parsed_2lx5 1
18 1 . . . . . . . 3.27 parsed_2lx5 1
19 1 . . . . . . . 3.58 parsed_2lx5 1
20 1 . . . . . . . 3.73 parsed_2lx5 1
21 1 . . . . . . . 4.40 parsed_2lx5 1
22 1 . . . . . . . 2.90 parsed_2lx5 1
23 1 . . . . . . . 3.05 parsed_2lx5 1
24 1 . . . . . . . 2.90 parsed_2lx5 1
25 1 . . . . . . . 2.90 parsed_2lx5 1
26 1 . . . . . . . 4.00 parsed_2lx5 1
27 1 . . . . . . . 4.00 parsed_2lx5 1
28 1 . . . . . . . 2.90 parsed_2lx5 1
29 1 . . . . . . . 4.00 parsed_2lx5 1
30 1 . . . . . . . 2.90 parsed_2lx5 1
31 1 . . . . . . . 3.30 parsed_2lx5 1
32 1 . . . . . . . 2.90 parsed_2lx5 1
33 1 . . . . . . . 2.96 parsed_2lx5 1
34 1 . . . . . . . 2.80 parsed_2lx5 1
35 1 . . . . . . . 3.60 parsed_2lx5 1
36 1 . . . . . . . 4.00 parsed_2lx5 1
37 1 . . . . . . . 2.90 parsed_2lx5 1
38 1 . . . . . . . 2.86 parsed_2lx5 1
39 1 . . . . . . . 4.00 parsed_2lx5 1
40 1 . . . . . . . 4.00 parsed_2lx5 1
41 1 . . . . . . . 2.90 parsed_2lx5 1
42 1 . . . . . . . 4.00 parsed_2lx5 1
43 1 . . . . . . . 4.10 parsed_2lx5 1
44 1 . . . . . . . 4.00 parsed_2lx5 1
45 1 . . . . . . . 2.90 parsed_2lx5 1
46 1 . . . . . . . 3.30 parsed_2lx5 1
47 1 . . . . . . . 2.90 parsed_2lx5 1
48 1 . . . . . . . 5.00 parsed_2lx5 1
49 1 . . . . . . . 2.90 parsed_2lx5 1
50 1 . . . . . . . 2.95 parsed_2lx5 1
51 1 . . . . . . . 3.36 parsed_2lx5 1
52 1 . . . . . . . 3.39 parsed_2lx5 1
53 1 . . . . . . . 3.39 parsed_2lx5 1
54 1 . . . . . . . 4.34 parsed_2lx5 1
55 1 . . . . . . . 4.20 parsed_2lx5 1
56 1 . . . . . . . 4.26 parsed_2lx5 1
57 1 . . . . . . . 4.88 parsed_2lx5 1
58 1 . . . . . . . 5.00 parsed_2lx5 1
59 1 . . . . . . . 5.50 parsed_2lx5 1
60 1 . . . . . . . 5.50 parsed_2lx5 1
61 1 . . . . . . . 4.90 parsed_2lx5 1
62 1 . . . . . . . 4.63 parsed_2lx5 1
63 1 . . . . . . . 4.70 parsed_2lx5 1
64 1 . . . . . . . 4.55 parsed_2lx5 1
65 1 . . . . . . . 4.00 parsed_2lx5 1
66 1 . . . . . . . 2.90 parsed_2lx5 1
67 1 . . . . . . . 3.11 parsed_2lx5 1
68 1 . . . . . . . 2.90 parsed_2lx5 1
69 1 . . . . . . . 4.50 parsed_2lx5 1
70 1 . . . . . . . 2.96 parsed_2lx5 1
71 1 . . . . . . . 3.24 parsed_2lx5 1
72 1 . . . . . . . 2.80 parsed_2lx5 1
73 1 . . . . . . . 2.99 parsed_2lx5 1
74 1 . . . . . . . 2.93 parsed_2lx5 1
75 1 . . . . . . . 3.14 parsed_2lx5 1
76 1 . . . . . . . 3.00 parsed_2lx5 1
77 1 . . . . . . . 4.35 parsed_2lx5 1
78 1 . . . . . . . 2.96 parsed_2lx5 1
79 1 . . . . . . . 4.57 parsed_2lx5 1
80 1 . . . . . . . 6.00 parsed_2lx5 1
81 1 . . . . . . . 3.73 parsed_2lx5 1
82 1 . . . . . . . 4.05 parsed_2lx5 1
83 1 . . . . . . . 4.50 parsed_2lx5 1
84 1 . . . . . . . 5.19 parsed_2lx5 1
85 1 . . . . . . . 5.10 parsed_2lx5 1
86 1 . . . . . . . 3.95 parsed_2lx5 1
87 1 . . . . . . . 4.29 parsed_2lx5 1
88 1 . . . . . . . 4.38 parsed_2lx5 1
89 1 . . . . . . . 3.36 parsed_2lx5 1
90 1 . . . . . . . 5.50 parsed_2lx5 1
91 1 . . . . . . . 5.50 parsed_2lx5 1
92 1 . . . . . . . 5.50 parsed_2lx5 1
93 1 . . . . . . . 4.00 parsed_2lx5 1
94 1 . . . . . . . 4.38 parsed_2lx5 1
95 1 . . . . . . . 4.00 parsed_2lx5 1
96 1 . . . . . . . 4.82 parsed_2lx5 1
97 1 . . . . . . . 4.54 parsed_2lx5 1
98 1 . . . . . . . 5.50 parsed_2lx5 1
99 1 . . . . . . . 5.50 parsed_2lx5 1
100 1 . . . . . . . 4.60 parsed_2lx5 1
101 1 . . . . . . . 4.50 parsed_2lx5 1
102 1 . . . . . . . 5.19 parsed_2lx5 1
103 1 . . . . . . . 3.64 parsed_2lx5 1
104 1 . . . . . . . 4.42 parsed_2lx5 1
105 1 . . . . . . . 4.51 parsed_2lx5 1
106 1 . . . . . . . 4.11 parsed_2lx5 1
107 1 . . . . . . . 6.00 parsed_2lx5 1
108 1 . . . . . . . 5.22 parsed_2lx5 1
109 1 . . . . . . . 4.97 parsed_2lx5 1
110 1 . . . . . . . 4.29 parsed_2lx5 1
111 1 . . . . . . . 4.54 parsed_2lx5 1
112 1 . . . . . . . 3.27 parsed_2lx5 1
113 1 . . . . . . . 5.47 parsed_2lx5 1
114 1 . . . . . . . 5.50 parsed_2lx5 1
115 1 . . . . . . . 5.34 parsed_2lx5 1
116 1 . . . . . . . 4.26 parsed_2lx5 1
117 1 . . . . . . . 4.01 parsed_2lx5 1
118 1 . . . . . . . 5.50 parsed_2lx5 1
119 1 . . . . . . . 5.50 parsed_2lx5 1
120 1 . . . . . . . 4.88 parsed_2lx5 1
121 1 . . . . . . . 6.00 parsed_2lx5 1
122 1 . . . . . . . 6.00 parsed_2lx5 1
123 1 . . . . . . . 6.00 parsed_2lx5 1
124 1 . . . . . . . 6.00 parsed_2lx5 1
125 1 . . . . . . . 6.00 parsed_2lx5 1
126 1 . . . . . . . 6.00 parsed_2lx5 1
127 1 . . . . . . . 6.00 parsed_2lx5 1
128 1 . . . . . . . 6.00 parsed_2lx5 1
129 1 . . . . . . . 4.97 parsed_2lx5 1
130 1 . . . . . . . 5.50 parsed_2lx5 1
131 1 . . . . . . . 5.50 parsed_2lx5 1
132 1 . . . . . . . 5.10 parsed_2lx5 1
133 1 . . . . . . . 5.50 parsed_2lx5 1
134 1 . . . . . . . 5.50 parsed_2lx5 1
135 1 . . . . . . . 5.50 parsed_2lx5 1
136 1 . . . . . . . 5.50 parsed_2lx5 1
137 1 . . . . . . . 5.50 parsed_2lx5 1
138 1 . . . . . . . 4.88 parsed_2lx5 1
139 1 . . . . . . . 5.50 parsed_2lx5 1
140 1 . . . . . . . 5.10 parsed_2lx5 1
141 1 . . . . . . . 5.50 parsed_2lx5 1
142 1 . . . . . . . 5.50 parsed_2lx5 1
143 1 . . . . . . . 5.50 parsed_2lx5 1
144 1 . . . . . . . 4.50 parsed_2lx5 1
145 1 . . . . . . . 4.69 parsed_2lx5 1
146 1 . . . . . . . 5.87 parsed_2lx5 1
147 1 . . . . . . . 5.71 parsed_2lx5 1
148 1 . . . . . . . 4.00 parsed_2lx5 1
149 1 . . . . . . . 5.46 parsed_2lx5 1
150 1 . . . . . . . 6.52 parsed_2lx5 1
151 1 . . . . . . . 6.52 parsed_2lx5 1
152 1 . . . . . . . 5.00 parsed_2lx5 1
153 1 . . . . . . . 4.00 parsed_2lx5 1
154 1 . . . . . . . 5.34 parsed_2lx5 1
155 1 . . . . . . . 6.49 parsed_2lx5 1
156 1 . . . . . . . 3.57 parsed_2lx5 1
157 1 . . . . . . . 5.03 parsed_2lx5 1
158 1 . . . . . . . 4.35 parsed_2lx5 1
159 1 . . . . . . . 4.19 parsed_2lx5 1
160 1 . . . . . . . 5.46 parsed_2lx5 1
161 1 . . . . . . . 5.40 parsed_2lx5 1
162 1 . . . . . . . 3.51 parsed_2lx5 1
163 1 . . . . . . . 3.60 parsed_2lx5 1
164 1 . . . . . . . 6.52 parsed_2lx5 1
165 1 . . . . . . . 6.52 parsed_2lx5 1
166 1 . . . . . . . 6.49 parsed_2lx5 1
167 1 . . . . . . . 6.52 parsed_2lx5 1
168 1 . . . . . . . 6.00 parsed_2lx5 1
169 1 . . . . . . . 6.00 parsed_2lx5 1
170 1 . . . . . . . 6.00 parsed_2lx5 1
171 1 . . . . . . . 5.71 parsed_2lx5 1
172 1 . . . . . . . 6.21 parsed_2lx5 1
173 1 . . . . . . . 5.28 parsed_2lx5 1
174 1 . . . . . . . 6.00 parsed_2lx5 1
175 1 . . . . . . . 6.08 parsed_2lx5 1
176 1 . . . . . . . 6.00 parsed_2lx5 1
177 1 . . . . . . . 6.52 parsed_2lx5 1
178 1 . . . . . . . 6.52 parsed_2lx5 1
179 1 . . . . . . . 6.00 parsed_2lx5 1
180 1 . . . . . . . 5.50 parsed_2lx5 1
181 1 . . . . . . . 4.80 parsed_2lx5 1
182 1 . . . . . . . 5.00 parsed_2lx5 1
183 1 . . . . . . . 5.00 parsed_2lx5 1
184 1 . . . . . . . 5.00 parsed_2lx5 1
185 1 . . . . . . . 5.00 parsed_2lx5 1
186 1 . . . . . . . 4.82 parsed_2lx5 1
187 1 . . . . . . . 5.10 parsed_2lx5 1
188 1 . . . . . . . 5.30 parsed_2lx5 1
189 1 . . . . . . . 4.10 parsed_2lx5 1
190 1 . . . . . . . 5.80 parsed_2lx5 1
191 1 . . . . . . . 5.65 parsed_2lx5 1
192 1 . . . . . . . 4.00 parsed_2lx5 1
193 1 . . . . . . . 4.00 parsed_2lx5 1
194 1 . . . . . . . 4.00 parsed_2lx5 1
195 1 . . . . . . . 4.00 parsed_2lx5 1
196 1 . . . . . . . 5.00 parsed_2lx5 1
197 1 . . . . . . . 4.50 parsed_2lx5 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 "peak 1" 1 58 1 68 parsed_2lx5 1
2 "peak 2" 2 58 2 68 parsed_2lx5 1
3 "peak 3" 3 58 3 68 parsed_2lx5 1
4 "peak 4" 4 58 4 68 parsed_2lx5 1
5 "peak 9" 5 58 5 68 parsed_2lx5 1
6 "peak 10" 6 58 6 68 parsed_2lx5 1
7 "peak 11" 7 58 7 68 parsed_2lx5 1
8 "peak 12" 8 58 8 68 parsed_2lx5 1
9 "peak 13" 9 58 9 68 parsed_2lx5 1
10 "peak 14" 10 58 10 68 parsed_2lx5 1
11 "peak 17" 11 58 11 68 parsed_2lx5 1
12 "peak 18" 12 58 12 68 parsed_2lx5 1
13 "peak 23" 13 58 13 68 parsed_2lx5 1
14 "peak 24" 14 58 14 68 parsed_2lx5 1
15 "peak 25" 15 58 15 68 parsed_2lx5 1
16 "peak 28" 16 58 16 68 parsed_2lx5 1
17 "peak 33" 17 58 17 68 parsed_2lx5 1
18 "peak 35" 18 58 18 68 parsed_2lx5 1
19 "peak 36" 19 58 19 68 parsed_2lx5 1
20 "peak 40" 20 58 20 68 parsed_2lx5 1
21 "peak 41" 21 58 21 68 parsed_2lx5 1
22 "peak 49" 22 58 22 68 parsed_2lx5 1
23 "peak 50" 23 58 23 68 parsed_2lx5 1
24 "peak 56" 24 58 24 68 parsed_2lx5 1
25 "peak 57" 25 58 25 68 parsed_2lx5 1
26 "peak 58" 26 58 26 68 parsed_2lx5 1
27 "peak 59" 27 58 27 68 parsed_2lx5 1
28 "peak 60" 28 58 28 68 parsed_2lx5 1
29 "peak 61" 29 58 29 68 parsed_2lx5 1
30 "peak 62" 30 58 30 68 parsed_2lx5 1
31 "peak 64" 31 58 31 68 parsed_2lx5 1
32 "peak 65" 32 58 32 68 parsed_2lx5 1
33 "peak 66" 33 58 33 68 parsed_2lx5 1
34 "peak 67" 34 58 34 68 parsed_2lx5 1
35 "peak 69" 35 58 35 68 parsed_2lx5 1
36 "peak 71" 36 58 36 68 parsed_2lx5 1
37 "peak 82" 37 58 37 68 parsed_2lx5 1
38 "peak 83" 38 58 38 68 parsed_2lx5 1
39 "peak 84" 39 58 39 68 parsed_2lx5 1
40 "peak 85" 40 58 40 68 parsed_2lx5 1
41 "peak 87" 41 58 41 68 parsed_2lx5 1
42 "peak 88" 42 58 42 68 parsed_2lx5 1
43 "peak 89" 43 58 43 68 parsed_2lx5 1
44 "peak 90" 44 58 44 68 parsed_2lx5 1
45 "peak 95" 45 58 45 68 parsed_2lx5 1
46 "peak 96" 46 58 46 68 parsed_2lx5 1
47 "peak 98" 47 58 47 68 parsed_2lx5 1
48 "peak 99" 48 58 48 68 parsed_2lx5 1
49 "peak 105" 49 58 49 68 parsed_2lx5 1
50 "peak 106" 50 58 50 68 parsed_2lx5 1
51 "peak 109" 51 58 51 68 parsed_2lx5 1
52 "peak 110" 52 58 52 68 parsed_2lx5 1
53 "peak 112" 53 58 53 68 parsed_2lx5 1
54 "peak 113" 54 58 54 68 parsed_2lx5 1
55 "peak 114" 55 58 55 68 parsed_2lx5 1
56 "peak 115" 56 58 56 68 parsed_2lx5 1
57 "peak 117" 57 58 57 68 parsed_2lx5 1
58 "peak 118" 58 58 58 68 parsed_2lx5 1
59 "peak 119" 59 58 59 68 parsed_2lx5 1
60 "peak 120" 60 58 60 68 parsed_2lx5 1
61 "peak 125" 61 58 61 68 parsed_2lx5 1
62 "peak 126" 62 58 62 68 parsed_2lx5 1
63 "peak 128" 63 58 63 68 parsed_2lx5 1
64 "peak 130" 64 58 64 68 parsed_2lx5 1
65 "peak 150" 65 58 65 68 parsed_2lx5 1
66 "peak 151" 66 58 66 68 parsed_2lx5 1
67 "peak 152" 67 58 67 68 parsed_2lx5 1
68 "peak 153" 68 58 68 68 parsed_2lx5 1
69 "peak 154" 69 58 69 68 parsed_2lx5 1
70 "peak 155" 70 58 70 68 parsed_2lx5 1
71 "peak 156" 71 58 71 68 parsed_2lx5 1
72 "peak 157" 72 58 72 68 parsed_2lx5 1
73 "peak 158" 73 58 73 68 parsed_2lx5 1
74 "peak 159" 74 58 74 68 parsed_2lx5 1
75 "peak 160" 75 58 75 68 parsed_2lx5 1
76 "peak 161" 76 58 76 68 parsed_2lx5 1
77 "peak 163" 77 58 77 68 parsed_2lx5 1
78 "peak 164" 78 58 78 68 parsed_2lx5 1
79 "peak 180" 79 58 79 68 parsed_2lx5 1
80 "peak 181" 80 58 80 68 parsed_2lx5 1
81 "peak 182" 81 58 81 68 parsed_2lx5 1
82 "peak 183" 82 58 82 68 parsed_2lx5 1
83 "peak 185" 83 58 83 68 parsed_2lx5 1
84 "peak 19" 84 58 84 68 parsed_2lx5 1
85 "peak 20" 85 58 85 68 parsed_2lx5 1
86 "peak 29" 86 58 86 68 parsed_2lx5 1
87 "peak 30" 87 58 87 68 parsed_2lx5 1
88 "peak 34" 88 58 88 68 parsed_2lx5 1
89 "peak 37" 89 58 89 68 parsed_2lx5 1
90 "peak 38" 90 58 90 68 parsed_2lx5 1
91 "peak 39" 91 58 91 68 parsed_2lx5 1
92 "peak 42" 92 58 92 68 parsed_2lx5 1
93 "peak 43" 93 58 93 68 parsed_2lx5 1
94 "peak 44" 94 58 94 68 parsed_2lx5 1
95 "peak 45" 95 58 95 68 parsed_2lx5 1
96 "peak 46" 96 58 96 68 parsed_2lx5 1
97 "peak 47" 97 58 97 68 parsed_2lx5 1
98 "peak 51" 98 58 98 68 parsed_2lx5 1
99 "peak 52" 99 58 99 68 parsed_2lx5 1
100 "peak 63" 100 58 100 68 parsed_2lx5 1
101 "peak 68" 101 58 101 68 parsed_2lx5 1
102 "peak 70" 102 58 102 68 parsed_2lx5 1
103 "peak 74" 103 58 103 68 parsed_2lx5 1
104 "peak 75" 104 58 104 68 parsed_2lx5 1
105 "peak 76" 105 58 105 68 parsed_2lx5 1
106 "peak 77" 106 58 106 68 parsed_2lx5 1
107 "peak 78" 107 58 107 68 parsed_2lx5 1
108 "peak 79" 108 58 108 68 parsed_2lx5 1
109 "peak 80" 109 58 109 68 parsed_2lx5 1
110 "peak 81" 110 58 110 68 parsed_2lx5 1
111 "peak 97" 111 58 111 68 parsed_2lx5 1
112 "peak 108" 112 58 112 68 parsed_2lx5 1
113 "peak 111" 113 58 113 68 parsed_2lx5 1
114 "peak 121" 114 58 114 68 parsed_2lx5 1
115 "peak 122" 115 58 115 68 parsed_2lx5 1
116 "peak 124" 116 58 116 68 parsed_2lx5 1
117 "peak 127" 117 58 117 68 parsed_2lx5 1
118 "peak 129" 118 58 118 68 parsed_2lx5 1
119 "peak 132" 119 58 119 68 parsed_2lx5 1
120 "peak 135" 120 58 120 68 parsed_2lx5 1
121 "peak 136" 121 58 121 68 parsed_2lx5 1
122 "peak 137" 122 58 122 68 parsed_2lx5 1
123 "peak 138" 123 58 123 68 parsed_2lx5 1
124 "peak 139" 124 58 124 68 parsed_2lx5 1
125 "peak 140" 125 58 125 68 parsed_2lx5 1
126 "peak 141" 126 58 126 68 parsed_2lx5 1
127 "peak 142" 127 58 127 68 parsed_2lx5 1
128 "peak 143" 128 58 128 68 parsed_2lx5 1
129 "peak 147" 129 58 129 68 parsed_2lx5 1
130 "peak 148" 130 58 130 68 parsed_2lx5 1
131 "peak 149" 131 58 131 68 parsed_2lx5 1
132 "peak 162" 132 58 132 68 parsed_2lx5 1
133 "peak 165" 133 58 133 68 parsed_2lx5 1
134 "peak 166" 134 58 134 68 parsed_2lx5 1
135 "peak 167" 135 58 135 68 parsed_2lx5 1
136 "peak 168" 136 58 136 68 parsed_2lx5 1
137 "peak 169" 137 58 137 68 parsed_2lx5 1
138 "peak 170" 138 58 138 68 parsed_2lx5 1
139 "peak 171" 139 58 139 68 parsed_2lx5 1
140 "peak 172" 140 58 140 68 parsed_2lx5 1
141 "peak 173" 141 58 141 68 parsed_2lx5 1
142 "peak 174" 142 58 142 68 parsed_2lx5 1
143 "peak 176" 143 58 143 68 parsed_2lx5 1
144 "peak 5" 144 58 144 68 parsed_2lx5 1
145 "peak 6" 145 58 145 68 parsed_2lx5 1
146 "peak 7" 146 58 146 68 parsed_2lx5 1
147 "peak 8" 147 58 147 68 parsed_2lx5 1
148 "peak 15" 148 58 148 68 parsed_2lx5 1
149 "peak 16" 149 58 149 68 parsed_2lx5 1
150 "peak 21" 150 58 150 68 parsed_2lx5 1
151 "peak 22" 151 58 151 68 parsed_2lx5 1
152 "peak 26" 152 58 152 68 parsed_2lx5 1
153 "peak 27" 153 58 153 68 parsed_2lx5 1
154 "peak 31" 154 58 154 68 parsed_2lx5 1
155 "peak 32" 155 58 155 68 parsed_2lx5 1
156 "peak 48" 156 58 156 68 parsed_2lx5 1
157 "peak 53" 157 58 157 68 parsed_2lx5 1
158 "peak 54" 158 58 158 68 parsed_2lx5 1
159 "peak 55" 159 58 159 68 parsed_2lx5 1
160 "peak 72" 160 58 160 68 parsed_2lx5 1
161 "peak 73" 161 58 161 68 parsed_2lx5 1
162 "peak 91" 162 58 162 68 parsed_2lx5 1
163 "peak 92" 163 58 163 68 parsed_2lx5 1
164 "peak 93" 164 58 164 68 parsed_2lx5 1
165 "peak 94" 165 58 165 68 parsed_2lx5 1
166 "peak 100" 166 58 166 68 parsed_2lx5 1
167 "peak 101" 167 58 167 68 parsed_2lx5 1
168 "peak 102" 168 58 168 68 parsed_2lx5 1
169 "peak 103" 169 58 169 68 parsed_2lx5 1
170 "peak 104" 170 58 170 68 parsed_2lx5 1
171 "peak 107" 171 58 171 68 parsed_2lx5 1
172 "peak 116" 172 58 172 68 parsed_2lx5 1
173 "peak 131" 173 58 173 68 parsed_2lx5 1
174 "peak 133" 174 58 174 68 parsed_2lx5 1
175 "peak 134" 175 58 175 68 parsed_2lx5 1
176 "peak 146" 176 58 176 68 parsed_2lx5 1
177 "peak 175" 177 58 177 68 parsed_2lx5 1
178 "peak 177" 178 58 178 68 parsed_2lx5 1
179 "peak 189" 179 58 179 68 parsed_2lx5 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lx5
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.00 -37.00 . . 3 ARG . . . . . . . . . . . . . parsed_2lx5 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.61 -4.61 . . 3 ARG . . . . . . . . . . . . . parsed_2lx5 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.06 -40.06 . . 4 ILE . . . . . . . . . . . . . parsed_2lx5 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.40 -6.40 . . 4 ILE . . . . . . . . . . . . . parsed_2lx5 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.53 -39.53 . . 6 ALA . . . . . . . . . . . . . parsed_2lx5 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.99 -2.99 . . 6 ALA . . . . . . . . . . . . . parsed_2lx5 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.39 -49.39 . . 7 ARG . . . . . . . . . . . . . parsed_2lx5 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.38 5.62 . . 7 ARG . . . . . . . . . . . . . parsed_2lx5 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.86 -32.86 . . 10 ALA . . . . . . . . . . . . . parsed_2lx5 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.50 -7.50 . . 10 ALA . . . . . . . . . . . . . parsed_2lx5 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.11 -31.11 . . 11 ARG . . . . . . . . . . . . . parsed_2lx5 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.86 -10.86 . . 11 ARG . . . . . . . . . . . . . parsed_2lx5 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.90 -36.90 . . 12 LEU . . . . . . . . . . . . . parsed_2lx5 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.36 2.64 . . 12 LEU . . . . . . . . . . . . . parsed_2lx5 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.97 -34.97 . . 13 ARG . . . . . . . . . . . . . parsed_2lx5 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.13 -4.13 . . 13 ARG . . . . . . . . . . . . . parsed_2lx5 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.63 -39.63 . . 14 ALA . . . . . . . . . . . . . parsed_2lx5 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.95 -35.95 . . 14 ALA . . . . . . . . . . . . . parsed_2lx5 1
stop_
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2lx5
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 4
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
# ------ read input files ------
read seq tb.seq
read upl submission.upl # read upper distance bounds
read aco tb.aco # read dihedral angle restraints
# ------ structure calculation ------
calc_all 100 steps=40000 # calculate conformers
# ------ structure calculation ------
overview demo.ovw structures=40 pdb # write overview file and 40 best conformers
name:= tb
rmsdrange:=1..18
cyanalib
read seq tb.seq
# Copyright (c) 2002-05 Peter Guntert. All rights reserved.
## 7MACROS: caliba - CYANA macro
##
## Parameters: dmin=dmin (default: 2.4)
## dmax=dmax (default: 5.5)
## vmin=Vmin (default: 0.0)
## bb=A (default: calculated automatically)
## sc=B (default: A/dmin2)
## methyl=C (default: B/3)
## weight=w (default: 1.0)
## avedis=d (default: 3.4)
## plot=file (required)
##
## Calibrates a peak list, i.e. derives upper limit distance constraints from
## all assigned peaks and adds them to the list of current distance
## constraints. The values dmin and dmax give the minimal and the maximal
## value in A for a distance constraints before possible pseudo atom
## corrections are added. Optionally, only peaks with volume larger than Vmin
## or from a peak list with given filename (without extension) may be
## considered. Peaks are classified into three calibration classes:
## class peaks/constraints function
## backbone all HN/Ha - HN/Ha, and HN/Ha - Hb between residues (i, j) with
## |i - j| < 5 V = A/d6
## sidechain not "backbone" and not "methyl" V = B/d4
## methyl all involving methyl groups V = C/d4
##
## The parameters A, B and C are either given by the user or calculated
## automatically as follows:
## The function calsca is used to calculate A by assuming an average distance
## of d A for all constraints from the class "backbone". By default, the
## scalar B is set to B = A/dmin2 in order to intersect the backbone
## calibration curve at dmin, and C is set to B/3 (see also Mumenthaler et
## al., 1997).
## Optionally, the resulting distance constraints may be given the relative
## weight w. Also optionally, a logarithmic plot of volumes versus
## corresponding minimal distances in the selected structures can be
## created.
var echo plt f
syntax dmin=@r=2.4 dmax=@r=5.5 vmin=@r=100.0 bb=@r=-1.0 sc=@r=-1.0 \
methyl=@r=-1.0 weight=@r=1.0 avedis=@r=3.4 plot=@f.ps=
echo:=off
plt='$plot'.ne.' '
print
print " Calibration class: backbone"
print
peaks select "H HN HA* HB* QA QB - METHYL, H HN HA* QA - METHYL levels=0..4" info=none
peaks select "+ H HN HA* QA - METHYL, H HN HA* QA - METHYL levels=5.." info=none
peaks select "/ *,*"
f:=1/d**6
if (bb.le.0.0) bb=calscale('$f',avedis,vmin)
print " Calibration function: $bb(1PE10.2) * $f"
calibrate bb*$f $dmin $dmax weight=$weight \
plot=$if(plt,'caliba_bb.grf',' ') log dmin qfactor
print
print " Calibration class: side-chain"
print
peaks select "! - METHYL, *"
peaks select "/ *, *"
f:=1/d**4
if (sc.le.0.0) sc=bb/(dmin)**2
print " Calibration function: $sc(1PE10.2) * $f"
calibrate sc*$f $dmin $dmax weight=$weight \
plot=$if(plt,'caliba_sc.grf',' ') log dmin qfactor
print
print " Calibration class: methyl"
print
peaks select "METHYL ,*" info=none
peaks select "/ *, *"
f:=1/d**4
if (methyl.le.0.0) methyl=sc/3.0
print " Calibration function: $methyl(1PE10.2) * $f"
calibrate methyl*$f $dmin $dmax weight=$weight \
plot=$if(plt,'caliba_me.grf',' ') log dmin qfactor
print
if (plt) then
print "x0=-160 y0=150 x1=210 y1=350" >$plot(1:indexr('$plot','.'))grf
print "marksize=4" >>
print file=caliba_bb.grf >>
print " " >>
print "x0=-160 y0=-100 x1=210 y1=100" >>
print file=caliba_sc.grf >>
print " " >>
print "x0=-160 y0=-350 x1=210 y1=-150" >>
print file=caliba_me.grf >>
print " " >>
print "X0=0 X1=100 Y0=0 Y1=100 " >>
print "x0=-250 x1=250 y0=-350 y1=350 " >>
print "clip off " >>
print "rotate=on " >>
print "textsize=14 " >>
print "weight=bold " >>
print "text 6 78 \"Backbone class\" " >>
print "text 6 42 \"Side-chain class\" " >>
print "text 6 5 \"Methyl group class\" " >>
print "rotate=off " >>.
graf $plot replace
remove caliba_bb.grf caliba_sc.grf caliba_me.grf
end if
;
save_
Contact the webmaster for help, if required. Tuesday, May 28, 2024 10:46:41 PM GMT (wattos1)