NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
476140 |
1buf   |
cing | 2-parsed | STAR | entry | full | 274 |
data_1buf_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1buf
_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_1buf 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1buf
_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 1buf "Master copy" parsed_1buf
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1buf
_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 1buf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1buf 1
1 1buf.mr . . AMBER 2 distance NOE simple 170 parsed_1buf 1
1 1buf.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 60 parsed_1buf 1
1 1buf.mr . . AMBER 4 distance "hydrogen bond" simple 14 parsed_1buf 1
1 1buf.mr . . AMBER 5 angle "Not applicable" "Not applicable" 0 parsed_1buf 1
1 1buf.mr . . AMBER 6 "dihedral angle" "Not applicable" "Not applicable" 30 parsed_1buf 1
1 1buf.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1buf 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_1buf
_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 DEOXYRIBONUCLEIC ACID 24-JUN-96 1BUF
*TITLE SELF-COMPLEMENTARY DNA 5'-D(CAATTG)2, NMR, MINIMIZED
*TITLE 2 AVERAGE STRUCTURE
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: DNA (5'-D(CAATTG)-3')2;
*COMPND 3 CHAIN: A, B;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES
*KEYWDS DEOXYRIBONUCLEIC ACID, DNA
*EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE
*AUTHOR S.L.LAM,S.C.F.AU-YEUNG
*REVDAT 1 27-JAN-97 1BUF 0
____________________________________________________________________
RESTRAINT FILE:
;
save_
save_AMBER_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1buf
_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_1buf 1
2 1 . . . parsed_1buf 1
3 1 . . . parsed_1buf 1
4 1 . . . parsed_1buf 1
5 1 . . . parsed_1buf 1
6 1 . . . parsed_1buf 1
7 1 . . . parsed_1buf 1
8 1 . . . parsed_1buf 1
9 1 . . . parsed_1buf 1
10 1 . . . parsed_1buf 1
11 1 . . . parsed_1buf 1
12 1 . . . parsed_1buf 1
13 1 . . . parsed_1buf 1
14 1 . . . parsed_1buf 1
15 1 . . . parsed_1buf 1
16 1 . . . parsed_1buf 1
17 1 . . . parsed_1buf 1
18 1 . . . parsed_1buf 1
19 1 . . . parsed_1buf 1
20 1 . . . parsed_1buf 1
21 1 . . . parsed_1buf 1
22 1 . . . parsed_1buf 1
23 1 . . . parsed_1buf 1
24 1 . . . parsed_1buf 1
25 1 . . . parsed_1buf 1
26 1 . . . parsed_1buf 1
27 1 . . . parsed_1buf 1
28 1 . . . parsed_1buf 1
29 1 . . . parsed_1buf 1
30 1 . . . parsed_1buf 1
31 1 . . . parsed_1buf 1
32 1 . . . parsed_1buf 1
33 1 . . . parsed_1buf 1
34 1 . . . parsed_1buf 1
35 1 . . . parsed_1buf 1
36 1 . . . parsed_1buf 1
37 1 . . . parsed_1buf 1
38 1 . . . parsed_1buf 1
39 1 . . . parsed_1buf 1
40 1 . . . parsed_1buf 1
41 1 . . . parsed_1buf 1
42 1 . . . parsed_1buf 1
43 1 . . . parsed_1buf 1
44 1 . . . parsed_1buf 1
45 1 . . . parsed_1buf 1
46 1 . . . parsed_1buf 1
47 1 . . . parsed_1buf 1
48 1 . . . parsed_1buf 1
49 1 . . . parsed_1buf 1
50 1 . . . parsed_1buf 1
51 1 . . . parsed_1buf 1
52 1 . . . parsed_1buf 1
53 1 . . . parsed_1buf 1
54 1 . . . parsed_1buf 1
55 1 . . . parsed_1buf 1
56 1 . . . parsed_1buf 1
57 1 . . . parsed_1buf 1
58 1 . . . parsed_1buf 1
59 1 . . . parsed_1buf 1
60 1 . . . parsed_1buf 1
61 1 . . . parsed_1buf 1
62 1 . . . parsed_1buf 1
63 1 . . . parsed_1buf 1
64 1 . . . parsed_1buf 1
65 1 . . . parsed_1buf 1
66 1 . . . parsed_1buf 1
67 1 . . . parsed_1buf 1
68 1 . . . parsed_1buf 1
69 1 . . . parsed_1buf 1
70 1 . . . parsed_1buf 1
71 1 . . . parsed_1buf 1
72 1 . . . parsed_1buf 1
73 1 . . . parsed_1buf 1
74 1 . . . parsed_1buf 1
75 1 . . . parsed_1buf 1
76 1 . . . parsed_1buf 1
77 1 . . . parsed_1buf 1
78 1 . . . parsed_1buf 1
79 1 . . . parsed_1buf 1
80 1 . . . parsed_1buf 1
81 1 . . . parsed_1buf 1
82 1 . . . parsed_1buf 1
83 1 . . . parsed_1buf 1
84 1 . . . parsed_1buf 1
85 1 . . . parsed_1buf 1
86 1 . . . parsed_1buf 1
87 1 . . . parsed_1buf 1
88 1 . . . parsed_1buf 1
89 1 . . . parsed_1buf 1
90 1 . . . parsed_1buf 1
91 1 . . . parsed_1buf 1
92 1 . . . parsed_1buf 1
93 1 . . . parsed_1buf 1
94 1 . . . parsed_1buf 1
95 1 . . . parsed_1buf 1
96 1 . . . parsed_1buf 1
97 1 . . . parsed_1buf 1
98 1 . . . parsed_1buf 1
99 1 . . . parsed_1buf 1
100 1 . . . parsed_1buf 1
101 1 . . . parsed_1buf 1
102 1 . . . parsed_1buf 1
103 1 . . . parsed_1buf 1
104 1 . . . parsed_1buf 1
105 1 . . . parsed_1buf 1
106 1 . . . parsed_1buf 1
107 1 . . . parsed_1buf 1
108 1 . . . parsed_1buf 1
109 1 . . . parsed_1buf 1
110 1 . . . parsed_1buf 1
111 1 . . . parsed_1buf 1
112 1 . . . parsed_1buf 1
113 1 . . . parsed_1buf 1
114 1 . . . parsed_1buf 1
115 1 . . . parsed_1buf 1
116 1 . . . parsed_1buf 1
117 1 . . . parsed_1buf 1
118 1 . . . parsed_1buf 1
119 1 . . . parsed_1buf 1
120 1 . . . parsed_1buf 1
121 1 . . . parsed_1buf 1
122 1 . . . parsed_1buf 1
123 1 . . . parsed_1buf 1
124 1 . . . parsed_1buf 1
125 1 . . . parsed_1buf 1
126 1 . . . parsed_1buf 1
127 1 . . . parsed_1buf 1
128 1 . . . parsed_1buf 1
129 1 . . . parsed_1buf 1
130 1 . . . parsed_1buf 1
131 1 . . . parsed_1buf 1
132 1 . . . parsed_1buf 1
133 1 . . . parsed_1buf 1
134 1 . . . parsed_1buf 1
135 1 . . . parsed_1buf 1
136 1 . . . parsed_1buf 1
137 1 . . . parsed_1buf 1
138 1 . . . parsed_1buf 1
139 1 . . . parsed_1buf 1
140 1 . . . parsed_1buf 1
141 1 . . . parsed_1buf 1
142 1 . . . parsed_1buf 1
143 1 . . . parsed_1buf 1
144 1 . . . parsed_1buf 1
145 1 . . . parsed_1buf 1
146 1 . . . parsed_1buf 1
147 1 . . . parsed_1buf 1
148 1 . . . parsed_1buf 1
149 1 . . . parsed_1buf 1
150 1 . . . parsed_1buf 1
151 1 . . . parsed_1buf 1
152 1 . . . parsed_1buf 1
153 1 . . . parsed_1buf 1
154 1 . . . parsed_1buf 1
155 1 . . . parsed_1buf 1
156 1 . . . parsed_1buf 1
157 1 . . . parsed_1buf 1
158 1 . . . parsed_1buf 1
159 1 . . . parsed_1buf 1
160 1 . . . parsed_1buf 1
161 1 . . . parsed_1buf 1
162 1 . . . parsed_1buf 1
163 1 . . . parsed_1buf 1
164 1 . . . parsed_1buf 1
165 1 . . . parsed_1buf 1
166 1 . . . parsed_1buf 1
167 1 . . . parsed_1buf 1
168 1 . . . parsed_1buf 1
169 1 . . . parsed_1buf 1
170 1 . . . parsed_1buf 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 . . . . . . . . . 2 . H6 parsed_1buf 1
1 1 2 . . . . . . . . . 2 . H4'' parsed_1buf 1
2 1 1 . . . . . . . . . 2 . H3'' parsed_1buf 1
2 1 2 . . . . . . . . . 2 . H4'' parsed_1buf 1
3 1 1 . . . . . . . . . 2 . H3'' parsed_1buf 1
3 1 2 . . . . . . . . . 2 . H6 parsed_1buf 1
4 1 1 . . . . . . . . . 2 . H2''1 parsed_1buf 1
4 1 2 . . . . . . . . . 2 . H6 parsed_1buf 1
5 1 1 . . . . . . . . . 2 . H2''1 parsed_1buf 1
5 1 2 . . . . . . . . . 2 . H3'' parsed_1buf 1
6 1 1 . . . . . . . . . 2 . H2''2 parsed_1buf 1
6 1 2 . . . . . . . . . 2 . H1'' parsed_1buf 1
7 1 1 . . . . . . . . . 4 . H1'' parsed_1buf 1
7 1 2 . . . . . . . . . 4 . H4'' parsed_1buf 1
8 1 1 . . . . . . . . . 4 . H8 parsed_1buf 1
8 1 2 . . . . . . . . . 2 . H2''2 parsed_1buf 1
9 1 1 . . . . . . . . . 4 . H3'' parsed_1buf 1
9 1 2 . . . . . . . . . 4 . H4'' parsed_1buf 1
10 1 1 . . . . . . . . . 4 . H3'' parsed_1buf 1
10 1 2 . . . . . . . . . 4 . H8 parsed_1buf 1
11 1 1 . . . . . . . . . 4 . H2''1 parsed_1buf 1
11 1 2 . . . . . . . . . 4 . H1'' parsed_1buf 1
12 1 1 . . . . . . . . . 4 . H2''1 parsed_1buf 1
12 1 2 . . . . . . . . . 4 . H8 parsed_1buf 1
13 1 1 . . . . . . . . . 4 . H2''1 parsed_1buf 1
13 1 2 . . . . . . . . . 4 . H3'' parsed_1buf 1
14 1 1 . . . . . . . . . 4 . H2''2 parsed_1buf 1
14 1 2 . . . . . . . . . 4 . H8 parsed_1buf 1
15 1 1 . . . . . . . . . 6 . H1'' parsed_1buf 1
15 1 2 . . . . . . . . . 6 . H4'' parsed_1buf 1
16 1 1 . . . . . . . . . 6 . H8 parsed_1buf 1
16 1 2 . . . . . . . . . 4 . H1'' parsed_1buf 1
17 1 1 . . . . . . . . . 6 . H8 parsed_1buf 1
17 1 2 . . . . . . . . . 4 . H2''1 parsed_1buf 1
18 1 1 . . . . . . . . . 6 . H8 parsed_1buf 1
18 1 2 . . . . . . . . . 6 . H1'' parsed_1buf 1
19 1 1 . . . . . . . . . 6 . H3'' parsed_1buf 1
19 1 2 . . . . . . . . . 6 . H4'' parsed_1buf 1
20 1 1 . . . . . . . . . 6 . H2''1 parsed_1buf 1
20 1 2 . . . . . . . . . 6 . H1'' parsed_1buf 1
21 1 1 . . . . . . . . . 6 . H2''1 parsed_1buf 1
21 1 2 . . . . . . . . . 6 . H8 parsed_1buf 1
22 1 1 . . . . . . . . . 6 . H2''1 parsed_1buf 1
22 1 2 . . . . . . . . . 6 . H3'' parsed_1buf 1
23 1 1 . . . . . . . . . 6 . H2''2 parsed_1buf 1
23 1 2 . . . . . . . . . 6 . H1'' parsed_1buf 1
24 1 1 . . . . . . . . . 8 . H1'' parsed_1buf 1
24 1 2 . . . . . . . . . 8 . H4'' parsed_1buf 1
25 1 1 . . . . . . . . . 8 . H6 parsed_1buf 1
25 1 2 . . . . . . . . . 6 . H2''1 parsed_1buf 1
26 1 1 . . . . . . . . . 8 . H6 parsed_1buf 1
26 1 2 . . . . . . . . . 6 . H2''2 parsed_1buf 1
27 1 1 . . . . . . . . 1buf_ambr001 4 DT C7 parsed_1buf 1
27 1 2 . . . . . . . . 1buf_ambr001 3 DA H2'1 parsed_1buf 1
28 1 1 . . . . . . . . . 8 . H3'' parsed_1buf 1
28 1 2 . . . . . . . . . 8 . H4'' parsed_1buf 1
29 1 1 . . . . . . . . . 8 . H3'' parsed_1buf 1
29 1 2 . . . . . . . . . 8 . H6 parsed_1buf 1
30 1 1 . . . . . . . . . 8 . H2''1 parsed_1buf 1
30 1 2 . . . . . . . . . 8 . H6 parsed_1buf 1
31 1 1 . . . . . . . . . 8 . H2''1 parsed_1buf 1
31 1 2 . . . . . . . . . 8 . H3'' parsed_1buf 1
32 1 1 . . . . . . . . . 8 . H2''2 parsed_1buf 1
32 1 2 . . . . . . . . . 8 . H6 parsed_1buf 1
33 1 1 . . . . . . . . . 8 . H2''2 parsed_1buf 1
33 1 2 . . . . . . . . . 8 . H3'' parsed_1buf 1
34 1 1 . . . . . . . . . 10 . H6 parsed_1buf 1
34 1 2 . . . . . . . . . 8 . H2''2 parsed_1buf 1
35 1 1 . . . . . . . . . 10 . H2''2 parsed_1buf 1
35 1 2 . . . . . . . . . 10 . H1'' parsed_1buf 1
36 1 1 . . . . . . . . . 10 . H2''2 parsed_1buf 1
36 1 2 . . . . . . . . . 10 . H6 parsed_1buf 1
37 1 1 . . . . . . . . . 10 . H2''2 parsed_1buf 1
37 1 2 . . . . . . . . . 10 . H3'' parsed_1buf 1
38 1 1 . . . . . . . . . 12 . H1'' parsed_1buf 1
38 1 2 . . . . . . . . . 12 . H4'' parsed_1buf 1
39 1 1 . . . . . . . . . 12 . H3'' parsed_1buf 1
39 1 2 . . . . . . . . . 12 . H4'' parsed_1buf 1
40 1 1 . . . . . . . . . 12 . H2''1 parsed_1buf 1
40 1 2 . . . . . . . . . 12 . H1'' parsed_1buf 1
41 1 1 . . . . . . . . . 12 . H2''1 parsed_1buf 1
41 1 2 . . . . . . . . . 12 . H8 parsed_1buf 1
42 1 1 . . . . . . . . . 12 . H2''1 parsed_1buf 1
42 1 2 . . . . . . . . . 12 . H3'' parsed_1buf 1
43 1 1 . . . . . . . . . 12 . H2''2 parsed_1buf 1
43 1 2 . . . . . . . . . 12 . H1'' parsed_1buf 1
44 1 1 . . . . . . . . . 12 . H2''2 parsed_1buf 1
44 1 2 . . . . . . . . . 12 . H3'' parsed_1buf 1
45 1 1 . . . . . . . . . 15 . H6 parsed_1buf 1
45 1 2 . . . . . . . . . 15 . H4'' parsed_1buf 1
46 1 1 . . . . . . . . . 15 . H3'' parsed_1buf 1
46 1 2 . . . . . . . . . 15 . H4'' parsed_1buf 1
47 1 1 . . . . . . . . . 15 . H3'' parsed_1buf 1
47 1 2 . . . . . . . . . 15 . H6 parsed_1buf 1
48 1 1 . . . . . . . . . 15 . H2''1 parsed_1buf 1
48 1 2 . . . . . . . . . 15 . H6 parsed_1buf 1
49 1 1 . . . . . . . . . 15 . H2''1 parsed_1buf 1
49 1 2 . . . . . . . . . 15 . H3'' parsed_1buf 1
50 1 1 . . . . . . . . . 15 . H2''2 parsed_1buf 1
50 1 2 . . . . . . . . . 15 . H1'' parsed_1buf 1
51 1 1 . . . . . . . . . 17 . H1'' parsed_1buf 1
51 1 2 . . . . . . . . . 17 . H4'' parsed_1buf 1
52 1 1 . . . . . . . . . 17 . H8 parsed_1buf 1
52 1 2 . . . . . . . . . 15 . H2''2 parsed_1buf 1
53 1 1 . . . . . . . . . 17 . H3'' parsed_1buf 1
53 1 2 . . . . . . . . . 17 . H4'' parsed_1buf 1
54 1 1 . . . . . . . . . 17 . H3'' parsed_1buf 1
54 1 2 . . . . . . . . . 17 . H8 parsed_1buf 1
55 1 1 . . . . . . . . . 17 . H2''1 parsed_1buf 1
55 1 2 . . . . . . . . . 17 . H1'' parsed_1buf 1
56 1 1 . . . . . . . . . 17 . H2''1 parsed_1buf 1
56 1 2 . . . . . . . . . 17 . H8 parsed_1buf 1
57 1 1 . . . . . . . . . 17 . H2''1 parsed_1buf 1
57 1 2 . . . . . . . . . 17 . H3'' parsed_1buf 1
58 1 1 . . . . . . . . . 17 . H2''2 parsed_1buf 1
58 1 2 . . . . . . . . . 17 . H8 parsed_1buf 1
59 1 1 . . . . . . . . . 19 . H1'' parsed_1buf 1
59 1 2 . . . . . . . . . 19 . H4'' parsed_1buf 1
60 1 1 . . . . . . . . . 19 . H8 parsed_1buf 1
60 1 2 . . . . . . . . . 17 . H1'' parsed_1buf 1
61 1 1 . . . . . . . . . 19 . H8 parsed_1buf 1
61 1 2 . . . . . . . . . 17 . H2''1 parsed_1buf 1
62 1 1 . . . . . . . . . 19 . H8 parsed_1buf 1
62 1 2 . . . . . . . . . 19 . H1'' parsed_1buf 1
63 1 1 . . . . . . . . . 19 . H3'' parsed_1buf 1
63 1 2 . . . . . . . . . 19 . H4'' parsed_1buf 1
64 1 1 . . . . . . . . . 19 . H2''1 parsed_1buf 1
64 1 2 . . . . . . . . . 19 . H1'' parsed_1buf 1
65 1 1 . . . . . . . . . 19 . H2''1 parsed_1buf 1
65 1 2 . . . . . . . . . 19 . H8 parsed_1buf 1
66 1 1 . . . . . . . . . 19 . H2''1 parsed_1buf 1
66 1 2 . . . . . . . . . 19 . H3'' parsed_1buf 1
67 1 1 . . . . . . . . . 19 . H2''2 parsed_1buf 1
67 1 2 . . . . . . . . . 19 . H1'' parsed_1buf 1
68 1 1 . . . . . . . . . 21 . H1'' parsed_1buf 1
68 1 2 . . . . . . . . . 21 . H4'' parsed_1buf 1
69 1 1 . . . . . . . . . 21 . H6 parsed_1buf 1
69 1 2 . . . . . . . . . 19 . H2''1 parsed_1buf 1
70 1 1 . . . . . . . . . 21 . H6 parsed_1buf 1
70 1 2 . . . . . . . . . 19 . H2''2 parsed_1buf 1
71 1 1 . . . . . . . . 1buf_ambr002 4 DT C7 parsed_1buf 1
71 1 2 . . . . . . . . 1buf_ambr002 3 DA H2'1 parsed_1buf 1
72 1 1 . . . . . . . . . 21 . H3'' parsed_1buf 1
72 1 2 . . . . . . . . . 21 . H4'' parsed_1buf 1
73 1 1 . . . . . . . . . 21 . H3'' parsed_1buf 1
73 1 2 . . . . . . . . . 21 . H6 parsed_1buf 1
74 1 1 . . . . . . . . . 21 . H2''1 parsed_1buf 1
74 1 2 . . . . . . . . . 21 . H6 parsed_1buf 1
75 1 1 . . . . . . . . . 21 . H2''1 parsed_1buf 1
75 1 2 . . . . . . . . . 21 . H3'' parsed_1buf 1
76 1 1 . . . . . . . . . 21 . H2''2 parsed_1buf 1
76 1 2 . . . . . . . . . 21 . H6 parsed_1buf 1
77 1 1 . . . . . . . . . 21 . H2''2 parsed_1buf 1
77 1 2 . . . . . . . . . 21 . H3'' parsed_1buf 1
78 1 1 . . . . . . . . . 23 . H6 parsed_1buf 1
78 1 2 . . . . . . . . . 21 . H2''2 parsed_1buf 1
79 1 1 . . . . . . . . . 23 . H2''2 parsed_1buf 1
79 1 2 . . . . . . . . . 23 . H1'' parsed_1buf 1
80 1 1 . . . . . . . . . 23 . H2''2 parsed_1buf 1
80 1 2 . . . . . . . . . 23 . H6 parsed_1buf 1
81 1 1 . . . . . . . . . 23 . H2''2 parsed_1buf 1
81 1 2 . . . . . . . . . 23 . H3'' parsed_1buf 1
82 1 1 . . . . . . . . . 25 . H1'' parsed_1buf 1
82 1 2 . . . . . . . . . 25 . H4'' parsed_1buf 1
83 1 1 . . . . . . . . . 25 . H3'' parsed_1buf 1
83 1 2 . . . . . . . . . 25 . H4'' parsed_1buf 1
84 1 1 . . . . . . . . . 25 . H2''1 parsed_1buf 1
84 1 2 . . . . . . . . . 25 . H1'' parsed_1buf 1
85 1 1 . . . . . . . . . 25 . H2''1 parsed_1buf 1
85 1 2 . . . . . . . . . 25 . H8 parsed_1buf 1
86 1 1 . . . . . . . . . 25 . H2''1 parsed_1buf 1
86 1 2 . . . . . . . . . 25 . H3'' parsed_1buf 1
87 1 1 . . . . . . . . . 25 . H2''2 parsed_1buf 1
87 1 2 . . . . . . . . . 25 . H1'' parsed_1buf 1
88 1 1 . . . . . . . . . 25 . H2''2 parsed_1buf 1
88 1 2 . . . . . . . . . 25 . H3'' parsed_1buf 1
89 1 1 . . . . . . . . . 2 . H1'' parsed_1buf 1
89 1 2 . . . . . . . . . 2 . H4'' parsed_1buf 1
90 1 1 . . . . . . . . . 2 . H6 parsed_1buf 1
90 1 2 . . . . . . . . . 2 . H1'' parsed_1buf 1
91 1 1 . . . . . . . . . 2 . H3'' parsed_1buf 1
91 1 2 . . . . . . . . . 2 . H1'' parsed_1buf 1
92 1 1 . . . . . . . . . 2 . H2''1 parsed_1buf 1
92 1 2 . . . . . . . . . 2 . H1'' parsed_1buf 1
93 1 1 . . . . . . . . . 2 . H2''2 parsed_1buf 1
93 1 2 . . . . . . . . . 2 . H4'' parsed_1buf 1
94 1 1 . . . . . . . . . 2 . H2''2 parsed_1buf 1
94 1 2 . . . . . . . . . 2 . H6 parsed_1buf 1
95 1 1 . . . . . . . . . 4 . H8 parsed_1buf 1
95 1 2 . . . . . . . . . 2 . H3'' parsed_1buf 1
96 1 1 . . . . . . . . . 4 . H8 parsed_1buf 1
96 1 2 . . . . . . . . . 2 . H2''1 parsed_1buf 1
97 1 1 . . . . . . . . . 4 . H8 parsed_1buf 1
97 1 2 . . . . . . . . . 4 . H1'' parsed_1buf 1
98 1 1 . . . . . . . . . 6 . H3'' parsed_1buf 1
98 1 2 . . . . . . . . . 6 . H1'' parsed_1buf 1
99 1 1 . . . . . . . . . 8 . H4'' parsed_1buf 1
99 1 2 . . . . . . . . . 6 . H1'' parsed_1buf 1
100 1 1 . . . . . . . . . 8 . H6 parsed_1buf 1
100 1 2 . . . . . . . . . 6 . H1'' parsed_1buf 1
101 1 1 . . . . . . . . . 8 . H6 parsed_1buf 1
101 1 2 . . . . . . . . . 6 . H3'' parsed_1buf 1
102 1 1 . . . . . . . . . 8 . H6 parsed_1buf 1
102 1 2 . . . . . . . . . 8 . H4'' parsed_1buf 1
103 1 1 . . . . . . . . . 8 . H6 parsed_1buf 1
103 1 2 . . . . . . . . . 8 . H1'' parsed_1buf 1
104 1 1 . . . . . . . . 1buf_ambr001 4 DT C7 parsed_1buf 1
104 1 2 . . . . . . . . 1buf_ambr001 3 DA H1' parsed_1buf 1
105 1 1 . . . . . . . . 1buf_ambr001 4 DT C7 parsed_1buf 1
105 1 2 . . . . . . . . 1buf_ambr001 3 DA H3' parsed_1buf 1
106 1 1 . . . . . . . . . 8 . H2''1 parsed_1buf 1
106 1 2 . . . . . . . . . 8 . H4'' parsed_1buf 1
107 1 1 . . . . . . . . 1buf_ambr001 5 DT C7 parsed_1buf 1
107 1 2 . . . . . . . . 1buf_ambr001 4 DT H3' parsed_1buf 1
108 1 1 . . . . . . . . 1buf_ambr001 5 DT C7 parsed_1buf 1
108 1 2 . . . . . . . . 1buf_ambr001 4 DT H2'2 parsed_1buf 1
109 1 1 . . . . . . . . . 10 . H2''1 parsed_1buf 1
109 1 2 . . . . . . . . . 10 . H4'' parsed_1buf 1
110 1 1 . . . . . . . . . 10 . H2''1 parsed_1buf 1
110 1 2 . . . . . . . . . 10 . H3'' parsed_1buf 1
111 1 1 . . . . . . . . . 12 . H8 parsed_1buf 1
111 1 2 . . . . . . . . . 10 . H1'' parsed_1buf 1
112 1 1 . . . . . . . . . 12 . H8 parsed_1buf 1
112 1 2 . . . . . . . . . 10 . H2''1 parsed_1buf 1
113 1 1 . . . . . . . . . 12 . H8 parsed_1buf 1
113 1 2 . . . . . . . . . 10 . H2''2 parsed_1buf 1
114 1 1 . . . . . . . . . 12 . H8 parsed_1buf 1
114 1 2 . . . . . . . . . 12 . H1'' parsed_1buf 1
115 1 1 . . . . . . . . . 12 . H3'' parsed_1buf 1
115 1 2 . . . . . . . . . 12 . H1'' parsed_1buf 1
116 1 1 . . . . . . . . . 12 . H3'' parsed_1buf 1
116 1 2 . . . . . . . . . 12 . H8 parsed_1buf 1
117 1 1 . . . . . . . . . 12 . H2''2 parsed_1buf 1
117 1 2 . . . . . . . . . 12 . H8 parsed_1buf 1
118 1 1 . . . . . . . . . 15 . H1'' parsed_1buf 1
118 1 2 . . . . . . . . . 15 . H4'' parsed_1buf 1
119 1 1 . . . . . . . . . 15 . H6 parsed_1buf 1
119 1 2 . . . . . . . . . 15 . H1'' parsed_1buf 1
120 1 1 . . . . . . . . . 15 . H3'' parsed_1buf 1
120 1 2 . . . . . . . . . 15 . H1'' parsed_1buf 1
121 1 1 . . . . . . . . . 15 . H2''1 parsed_1buf 1
121 1 2 . . . . . . . . . 15 . H1'' parsed_1buf 1
122 1 1 . . . . . . . . . 15 . H2''2 parsed_1buf 1
122 1 2 . . . . . . . . . 15 . H4'' parsed_1buf 1
123 1 1 . . . . . . . . . 15 . H2''2 parsed_1buf 1
123 1 2 . . . . . . . . . 15 . H6 parsed_1buf 1
124 1 1 . . . . . . . . . 17 . H8 parsed_1buf 1
124 1 2 . . . . . . . . . 15 . H3'' parsed_1buf 1
125 1 1 . . . . . . . . . 17 . H8 parsed_1buf 1
125 1 2 . . . . . . . . . 15 . H2''1 parsed_1buf 1
126 1 1 . . . . . . . . . 17 . H8 parsed_1buf 1
126 1 2 . . . . . . . . . 17 . H1'' parsed_1buf 1
127 1 1 . . . . . . . . . 19 . H3'' parsed_1buf 1
127 1 2 . . . . . . . . . 19 . H1'' parsed_1buf 1
128 1 1 . . . . . . . . . 21 . H4'' parsed_1buf 1
128 1 2 . . . . . . . . . 19 . H1'' parsed_1buf 1
129 1 1 . . . . . . . . . 21 . H6 parsed_1buf 1
129 1 2 . . . . . . . . . 19 . H1'' parsed_1buf 1
130 1 1 . . . . . . . . . 21 . H6 parsed_1buf 1
130 1 2 . . . . . . . . . 19 . H3'' parsed_1buf 1
131 1 1 . . . . . . . . . 21 . H6 parsed_1buf 1
131 1 2 . . . . . . . . . 21 . H4'' parsed_1buf 1
132 1 1 . . . . . . . . . 21 . H6 parsed_1buf 1
132 1 2 . . . . . . . . . 21 . H1'' parsed_1buf 1
133 1 1 . . . . . . . . 1buf_ambr002 4 DT C7 parsed_1buf 1
133 1 2 . . . . . . . . 1buf_ambr002 3 DA H1' parsed_1buf 1
134 1 1 . . . . . . . . 1buf_ambr002 4 DT C7 parsed_1buf 1
134 1 2 . . . . . . . . 1buf_ambr002 3 DA H3' parsed_1buf 1
135 1 1 . . . . . . . . . 21 . H2''1 parsed_1buf 1
135 1 2 . . . . . . . . . 21 . H4'' parsed_1buf 1
136 1 1 . . . . . . . . 1buf_ambr002 5 DT C7 parsed_1buf 1
136 1 2 . . . . . . . . 1buf_ambr002 4 DT H3' parsed_1buf 1
137 1 1 . . . . . . . . 1buf_ambr002 5 DT C7 parsed_1buf 1
137 1 2 . . . . . . . . 1buf_ambr002 4 DT H2'2 parsed_1buf 1
138 1 1 . . . . . . . . . 23 . H2''1 parsed_1buf 1
138 1 2 . . . . . . . . . 23 . H4'' parsed_1buf 1
139 1 1 . . . . . . . . . 23 . H2''1 parsed_1buf 1
139 1 2 . . . . . . . . . 23 . H3'' parsed_1buf 1
140 1 1 . . . . . . . . . 25 . H8 parsed_1buf 1
140 1 2 . . . . . . . . . 23 . H1'' parsed_1buf 1
141 1 1 . . . . . . . . . 25 . H8 parsed_1buf 1
141 1 2 . . . . . . . . . 23 . H2''1 parsed_1buf 1
142 1 1 . . . . . . . . . 25 . H8 parsed_1buf 1
142 1 2 . . . . . . . . . 23 . H2''2 parsed_1buf 1
143 1 1 . . . . . . . . . 25 . H8 parsed_1buf 1
143 1 2 . . . . . . . . . 25 . H1'' parsed_1buf 1
144 1 1 . . . . . . . . . 25 . H3'' parsed_1buf 1
144 1 2 . . . . . . . . . 25 . H1'' parsed_1buf 1
145 1 1 . . . . . . . . . 25 . H3'' parsed_1buf 1
145 1 2 . . . . . . . . . 25 . H8 parsed_1buf 1
146 1 1 . . . . . . . . . 25 . H2''2 parsed_1buf 1
146 1 2 . . . . . . . . . 25 . H8 parsed_1buf 1
147 1 1 . . . . . . . . . 4 . H8 parsed_1buf 1
147 1 2 . . . . . . . . . 4 . H4'' parsed_1buf 1
148 1 1 . . . . . . . . . 6 . H8 parsed_1buf 1
148 1 2 . . . . . . . . . 6 . H4'' parsed_1buf 1
149 1 1 . . . . . . . . . 6 . H2''1 parsed_1buf 1
149 1 2 . . . . . . . . . 6 . H4'' parsed_1buf 1
150 1 1 . . . . . . . . . 6 . H2''2 parsed_1buf 1
150 1 2 . . . . . . . . . 6 . H4'' parsed_1buf 1
151 1 1 . . . . . . . . . 8 . H3'' parsed_1buf 1
151 1 2 . . . . . . . . . 8 . H1'' parsed_1buf 1
152 1 1 . . . . . . . . . 10 . H6 parsed_1buf 1
152 1 2 . . . . . . . . . 8 . H3'' parsed_1buf 1
153 1 1 . . . . . . . . 1buf_ambr001 5 DT C7 parsed_1buf 1
153 1 2 . . . . . . . . 1buf_ambr001 4 DT H1' parsed_1buf 1
154 1 1 . . . . . . . . . 12 . H8 parsed_1buf 1
154 1 2 . . . . . . . . . 10 . H3'' parsed_1buf 1
155 1 1 . . . . . . . . . 12 . H8 parsed_1buf 1
155 1 2 . . . . . . . . . 12 . H4'' parsed_1buf 1
156 1 1 . . . . . . . . . 12 . H2''1 parsed_1buf 1
156 1 2 . . . . . . . . . 12 . H4'' parsed_1buf 1
157 1 1 . . . . . . . . . 12 . H2''2 parsed_1buf 1
157 1 2 . . . . . . . . . 12 . H4'' parsed_1buf 1
158 1 1 . . . . . . . . . 17 . H8 parsed_1buf 1
158 1 2 . . . . . . . . . 17 . H4'' parsed_1buf 1
159 1 1 . . . . . . . . . 19 . H8 parsed_1buf 1
159 1 2 . . . . . . . . . 19 . H4'' parsed_1buf 1
160 1 1 . . . . . . . . . 19 . H2''1 parsed_1buf 1
160 1 2 . . . . . . . . . 19 . H4'' parsed_1buf 1
161 1 1 . . . . . . . . . 19 . H2''2 parsed_1buf 1
161 1 2 . . . . . . . . . 19 . H4'' parsed_1buf 1
162 1 1 . . . . . . . . . 21 . H3'' parsed_1buf 1
162 1 2 . . . . . . . . . 21 . H1'' parsed_1buf 1
163 1 1 . . . . . . . . . 23 . H6 parsed_1buf 1
163 1 2 . . . . . . . . . 21 . H3'' parsed_1buf 1
164 1 1 . . . . . . . . 1buf_ambr002 5 DT C7 parsed_1buf 1
164 1 2 . . . . . . . . 1buf_ambr002 4 DT H1' parsed_1buf 1
165 1 1 . . . . . . . . . 25 . H8 parsed_1buf 1
165 1 2 . . . . . . . . . 23 . H3'' parsed_1buf 1
166 1 1 . . . . . . . . . 25 . H8 parsed_1buf 1
166 1 2 . . . . . . . . . 25 . H4'' parsed_1buf 1
167 1 1 . . . . . . . . . 25 . H2''1 parsed_1buf 1
167 1 2 . . . . . . . . . 25 . H4'' parsed_1buf 1
168 1 1 . . . . . . . . . 25 . H2''2 parsed_1buf 1
168 1 2 . . . . . . . . . 25 . H4'' parsed_1buf 1
169 1 1 . . . . . . . . . 4 . H2''1 parsed_1buf 1
169 1 2 . . . . . . . . . 4 . H4'' parsed_1buf 1
170 1 1 . . . . . . . . . 17 . H2''1 parsed_1buf 1
170 1 2 . . . . . . . . . 17 . H4'' parsed_1buf 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 . . . . . 4.386 4.211 6.386 parsed_1buf 1
2 1 . . . . . 3.220 3.020 5.220 parsed_1buf 1
3 1 . . . . . 3.690 3.503 5.690 parsed_1buf 1
4 1 . . . . . 2.592 2.492 4.592 parsed_1buf 1
5 1 . . . . . 2.685 2.585 4.685 parsed_1buf 1
6 1 . . . . . 2.667 2.567 4.667 parsed_1buf 1
7 1 . . . . . 3.217 2.829 5.217 parsed_1buf 1
8 1 . . . . . 3.597 3.393 5.597 parsed_1buf 1
9 1 . . . . . 2.805 2.705 4.805 parsed_1buf 1
10 1 . . . . . 3.959 3.851 5.959 parsed_1buf 1
11 1 . . . . . 3.057 2.637 5.057 parsed_1buf 1
12 1 . . . . . 2.335 2.235 4.335 parsed_1buf 1
13 1 . . . . . 2.507 2.370 4.507 parsed_1buf 1
14 1 . . . . . 3.192 3.092 5.192 parsed_1buf 1
15 1 . . . . . 3.003 2.903 5.003 parsed_1buf 1
16 1 . . . . . 3.213 2.927 5.213 parsed_1buf 1
17 1 . . . . . 3.468 2.742 5.468 parsed_1buf 1
18 1 . . . . . 3.653 3.507 5.653 parsed_1buf 1
19 1 . . . . . 2.857 2.746 4.857 parsed_1buf 1
20 1 . . . . . 2.857 2.649 4.857 parsed_1buf 1
21 1 . . . . . 2.185 2.085 4.185 parsed_1buf 1
22 1 . . . . . 2.273 2.173 4.273 parsed_1buf 1
23 1 . . . . . 2.430 2.330 4.430 parsed_1buf 1
24 1 . . . . . 2.970 2.770 4.970 parsed_1buf 1
25 1 . . . . . 2.953 2.817 4.953 parsed_1buf 1
26 1 . . . . . 2.473 2.373 4.473 parsed_1buf 1
27 1 . . . . . 4.044 3.422 6.044 parsed_1buf 1
28 1 . . . . . 2.665 2.465 4.665 parsed_1buf 1
29 1 . . . . . 3.699 3.267 5.699 parsed_1buf 1
30 1 . . . . . 2.145 2.045 4.145 parsed_1buf 1
31 1 . . . . . 2.172 2.072 4.172 parsed_1buf 1
32 1 . . . . . 3.436 3.054 5.436 parsed_1buf 1
33 1 . . . . . 2.873 2.664 4.873 parsed_1buf 1
34 1 . . . . . 2.507 2.407 4.507 parsed_1buf 1
35 1 . . . . . 2.315 2.215 4.315 parsed_1buf 1
36 1 . . . . . 2.994 2.619 4.994 parsed_1buf 1
37 1 . . . . . 3.200 3.076 5.200 parsed_1buf 1
38 1 . . . . . 2.968 2.868 4.968 parsed_1buf 1
39 1 . . . . . 2.900 2.800 4.900 parsed_1buf 1
40 1 . . . . . 3.395 3.152 5.395 parsed_1buf 1
41 1 . . . . . 2.458 2.358 4.458 parsed_1buf 1
42 1 . . . . . 2.508 2.408 4.508 parsed_1buf 1
43 1 . . . . . 2.278 2.178 4.278 parsed_1buf 1
44 1 . . . . . 2.663 2.497 4.663 parsed_1buf 1
45 1 . . . . . 4.386 4.211 6.386 parsed_1buf 1
46 1 . . . . . 3.220 3.020 5.220 parsed_1buf 1
47 1 . . . . . 3.690 3.503 5.690 parsed_1buf 1
48 1 . . . . . 2.592 2.492 4.592 parsed_1buf 1
49 1 . . . . . 2.685 2.585 4.685 parsed_1buf 1
50 1 . . . . . 2.667 2.567 4.667 parsed_1buf 1
51 1 . . . . . 3.217 2.829 5.217 parsed_1buf 1
52 1 . . . . . 3.597 3.393 5.597 parsed_1buf 1
53 1 . . . . . 2.805 2.705 4.805 parsed_1buf 1
54 1 . . . . . 3.959 3.851 5.959 parsed_1buf 1
55 1 . . . . . 3.057 2.637 5.057 parsed_1buf 1
56 1 . . . . . 2.335 2.235 4.335 parsed_1buf 1
57 1 . . . . . 2.507 2.370 4.507 parsed_1buf 1
58 1 . . . . . 3.192 3.092 5.192 parsed_1buf 1
59 1 . . . . . 3.003 2.903 5.003 parsed_1buf 1
60 1 . . . . . 3.213 2.927 5.213 parsed_1buf 1
61 1 . . . . . 3.468 2.742 5.468 parsed_1buf 1
62 1 . . . . . 3.653 3.507 5.653 parsed_1buf 1
63 1 . . . . . 2.857 2.746 4.857 parsed_1buf 1
64 1 . . . . . 2.857 2.649 4.857 parsed_1buf 1
65 1 . . . . . 2.185 2.085 4.185 parsed_1buf 1
66 1 . . . . . 2.273 2.173 4.273 parsed_1buf 1
67 1 . . . . . 2.430 2.330 4.430 parsed_1buf 1
68 1 . . . . . 2.970 2.770 4.970 parsed_1buf 1
69 1 . . . . . 2.953 2.817 4.953 parsed_1buf 1
70 1 . . . . . 2.473 2.373 4.473 parsed_1buf 1
71 1 . . . . . 4.045 3.425 6.045 parsed_1buf 1
72 1 . . . . . 2.665 2.465 4.665 parsed_1buf 1
73 1 . . . . . 3.699 3.267 5.699 parsed_1buf 1
74 1 . . . . . 2.145 2.045 4.145 parsed_1buf 1
75 1 . . . . . 2.172 2.072 4.172 parsed_1buf 1
76 1 . . . . . 3.436 3.054 5.436 parsed_1buf 1
77 1 . . . . . 2.873 2.664 4.873 parsed_1buf 1
78 1 . . . . . 2.507 2.407 4.507 parsed_1buf 1
79 1 . . . . . 2.315 2.215 4.315 parsed_1buf 1
80 1 . . . . . 2.994 2.619 4.994 parsed_1buf 1
81 1 . . . . . 3.200 3.076 5.200 parsed_1buf 1
82 1 . . . . . 2.968 2.868 4.968 parsed_1buf 1
83 1 . . . . . 2.900 2.800 4.900 parsed_1buf 1
84 1 . . . . . 3.395 3.152 5.395 parsed_1buf 1
85 1 . . . . . 2.458 2.358 4.458 parsed_1buf 1
86 1 . . . . . 2.508 2.408 4.508 parsed_1buf 1
87 1 . . . . . 2.278 2.178 4.278 parsed_1buf 1
88 1 . . . . . 2.663 2.497 4.663 parsed_1buf 1
89 1 . . . . . 3.216 3.109 5.216 parsed_1buf 1
90 1 . . . . . 3.526 3.369 5.526 parsed_1buf 1
91 1 . . . . . 4.245 4.045 6.245 parsed_1buf 1
92 1 . . . . . 3.653 3.432 5.653 parsed_1buf 1
93 1 . . . . . 3.596 3.234 5.596 parsed_1buf 1
94 1 . . . . . 5.237 3.823 7.237 parsed_1buf 1
95 1 . . . . . 4.041 3.849 6.041 parsed_1buf 1
96 1 . . . . . 3.605 3.505 5.605 parsed_1buf 1
97 1 . . . . . 3.778 3.678 5.778 parsed_1buf 1
98 1 . . . . . 4.015 3.915 6.015 parsed_1buf 1
99 1 . . . . . 3.943 3.662 5.943 parsed_1buf 1
100 1 . . . . . 3.483 3.383 5.483 parsed_1buf 1
101 1 . . . . . 4.237 4.108 6.237 parsed_1buf 1
102 1 . . . . . 3.838 3.727 5.838 parsed_1buf 1
103 1 . . . . . 3.767 3.358 5.767 parsed_1buf 1
104 1 . . . . . 5.367 4.798 7.367 parsed_1buf 1
105 1 . . . . . 4.867 4.268 6.867 parsed_1buf 1
106 1 . . . . . 3.561 3.319 5.561 parsed_1buf 1
107 1 . . . . . 4.642 4.138 6.642 parsed_1buf 1
108 1 . . . . . 4.439 3.541 6.439 parsed_1buf 1
109 1 . . . . . 3.753 3.382 5.753 parsed_1buf 1
110 1 . . . . . 2.405 2.205 4.405 parsed_1buf 1
111 1 . . . . . 3.905 3.805 5.905 parsed_1buf 1
112 1 . . . . . 4.216 3.729 6.216 parsed_1buf 1
113 1 . . . . . 3.315 3.215 5.315 parsed_1buf 1
114 1 . . . . . 3.785 3.685 5.785 parsed_1buf 1
115 1 . . . . . 3.987 3.728 5.987 parsed_1buf 1
116 1 . . . . . 3.521 3.369 5.521 parsed_1buf 1
117 1 . . . . . 5.094 3.661 7.094 parsed_1buf 1
118 1 . . . . . 3.216 3.109 5.216 parsed_1buf 1
119 1 . . . . . 3.526 3.369 5.526 parsed_1buf 1
120 1 . . . . . 4.245 4.045 6.245 parsed_1buf 1
121 1 . . . . . 3.653 3.432 5.653 parsed_1buf 1
122 1 . . . . . 3.596 3.234 5.596 parsed_1buf 1
123 1 . . . . . 5.237 3.823 7.237 parsed_1buf 1
124 1 . . . . . 4.041 3.849 6.041 parsed_1buf 1
125 1 . . . . . 3.605 3.505 5.605 parsed_1buf 1
126 1 . . . . . 3.778 3.678 5.778 parsed_1buf 1
127 1 . . . . . 4.015 3.915 6.015 parsed_1buf 1
128 1 . . . . . 3.943 3.662 5.943 parsed_1buf 1
129 1 . . . . . 3.483 3.383 5.483 parsed_1buf 1
130 1 . . . . . 4.237 4.108 6.237 parsed_1buf 1
131 1 . . . . . 3.838 3.727 5.838 parsed_1buf 1
132 1 . . . . . 3.767 3.358 5.767 parsed_1buf 1
133 1 . . . . . 5.367 4.798 7.367 parsed_1buf 1
134 1 . . . . . 4.867 4.268 6.867 parsed_1buf 1
135 1 . . . . . 3.561 3.319 5.561 parsed_1buf 1
136 1 . . . . . 4.639 4.136 6.639 parsed_1buf 1
137 1 . . . . . 4.439 3.541 6.439 parsed_1buf 1
138 1 . . . . . 3.753 3.382 5.753 parsed_1buf 1
139 1 . . . . . 2.405 2.205 4.405 parsed_1buf 1
140 1 . . . . . 3.905 3.805 5.905 parsed_1buf 1
141 1 . . . . . 4.216 3.729 6.216 parsed_1buf 1
142 1 . . . . . 3.315 3.215 5.315 parsed_1buf 1
143 1 . . . . . 3.785 3.685 5.785 parsed_1buf 1
144 1 . . . . . 3.987 3.728 5.987 parsed_1buf 1
145 1 . . . . . 3.521 3.369 5.521 parsed_1buf 1
146 1 . . . . . 5.094 3.661 7.094 parsed_1buf 1
147 1 . . . . . 4.840 4.640 6.840 parsed_1buf 1
148 1 . . . . . 4.500 4.300 6.500 parsed_1buf 1
149 1 . . . . . 4.422 3.752 6.422 parsed_1buf 1
150 1 . . . . . 3.915 3.715 5.915 parsed_1buf 1
151 1 . . . . . 3.535 3.335 5.535 parsed_1buf 1
152 1 . . . . . 2.950 2.750 4.950 parsed_1buf 1
153 1 . . . . . 4.990 4.390 6.990 parsed_1buf 1
154 1 . . . . . 4.415 4.215 6.415 parsed_1buf 1
155 1 . . . . . 5.155 4.955 7.155 parsed_1buf 1
156 1 . . . . . 4.055 3.855 6.055 parsed_1buf 1
157 1 . . . . . 3.985 3.785 5.985 parsed_1buf 1
158 1 . . . . . 4.840 4.640 6.840 parsed_1buf 1
159 1 . . . . . 4.500 4.300 6.500 parsed_1buf 1
160 1 . . . . . 4.422 3.752 6.422 parsed_1buf 1
161 1 . . . . . 3.915 3.715 5.915 parsed_1buf 1
162 1 . . . . . 3.535 3.335 5.535 parsed_1buf 1
163 1 . . . . . 2.950 2.750 4.950 parsed_1buf 1
164 1 . . . . . 4.990 4.390 6.990 parsed_1buf 1
165 1 . . . . . 4.415 4.215 6.415 parsed_1buf 1
166 1 . . . . . 5.155 4.955 7.155 parsed_1buf 1
167 1 . . . . . 4.055 3.855 6.055 parsed_1buf 1
168 1 . . . . . 3.985 3.785 5.985 parsed_1buf 1
169 1 . . . . . 4.490 4.090 6.490 parsed_1buf 1
170 1 . . . . . 4.490 4.090 6.490 parsed_1buf 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
;
d(CAATTG)2
distance constraint number 1
;
1 1 2 33 parsed_1buf 1
2 "distance constraint number 2" 6 1 6 33 parsed_1buf 1
3 "distance constraint number 3" 10 1 10 33 parsed_1buf 1
4 "distance constraint number 4" 14 1 14 33 parsed_1buf 1
5 "distance constraint number 5" 18 1 18 33 parsed_1buf 1
6 "distance constraint number 6" 22 1 22 33 parsed_1buf 1
7 "distance constraint number 7" 26 1 26 33 parsed_1buf 1
8 "distance constraint number 8" 30 1 30 33 parsed_1buf 1
9 "distance constraint number 9" 34 1 34 33 parsed_1buf 1
10 "distance constraint number 10" 38 1 38 33 parsed_1buf 1
11 "distance constraint number 11" 42 1 42 33 parsed_1buf 1
12 "distance constraint number 12" 46 1 46 33 parsed_1buf 1
13 "distance constraint number 13" 50 1 50 33 parsed_1buf 1
14 "distance constraint number 14" 54 1 54 33 parsed_1buf 1
15 "distance constraint number 15" 58 1 58 33 parsed_1buf 1
16 "distance constraint number 16" 62 1 62 33 parsed_1buf 1
17 "distance constraint number 17" 66 1 66 33 parsed_1buf 1
18 "distance constraint number 18" 70 1 70 33 parsed_1buf 1
19 "distance constraint number 19" 74 1 74 33 parsed_1buf 1
20 "distance constraint number 20" 78 1 78 33 parsed_1buf 1
21 "distance constraint number 21" 82 1 82 33 parsed_1buf 1
22 "distance constraint number 22" 86 1 86 33 parsed_1buf 1
23 "distance constraint number 23" 90 1 90 33 parsed_1buf 1
24 "distance constraint number 24" 94 1 94 33 parsed_1buf 1
25 "distance constraint number 25" 98 1 98 33 parsed_1buf 1
26 "distance constraint number 26" 102 1 102 33 parsed_1buf 1
27 "distance constraint number 27" 106 1 106 33 parsed_1buf 1
28 "distance constraint number 28" 110 1 110 33 parsed_1buf 1
29 "distance constraint number 29" 114 1 114 33 parsed_1buf 1
30 "distance constraint number 30" 118 1 118 33 parsed_1buf 1
31 "distance constraint number 31" 122 1 122 33 parsed_1buf 1
32 "distance constraint number 32" 126 1 126 33 parsed_1buf 1
33 "distance constraint number 33" 130 1 130 33 parsed_1buf 1
34 "distance constraint number 34" 134 1 134 33 parsed_1buf 1
35
;
distance constraint number 35
distance constraint number 36
;
138 1 139 33 parsed_1buf 1
36 "distance constraint number 37" 143 1 143 33 parsed_1buf 1
37 "distance constraint number 38" 147 1 147 33 parsed_1buf 1
38 "distance constraint number 39" 151 1 151 33 parsed_1buf 1
39 "distance constraint number 40" 155 1 155 33 parsed_1buf 1
40 "distance constraint number 41" 159 1 159 33 parsed_1buf 1
41 "distance constraint number 42" 163 1 163 33 parsed_1buf 1
42 "distance constraint number 43" 167 1 167 33 parsed_1buf 1
43 "distance constraint number 44" 171 1 171 33 parsed_1buf 1
44 "distance constraint number 45" 175 1 175 33 parsed_1buf 1
45 "distance constraint number 46" 179 1 179 33 parsed_1buf 1
46 "distance constraint number 47" 183 1 183 33 parsed_1buf 1
47 "distance constraint number 48" 187 1 187 33 parsed_1buf 1
48 "distance constraint number 49" 191 1 191 33 parsed_1buf 1
49 "distance constraint number 50" 195 1 195 33 parsed_1buf 1
50 "distance constraint number 51" 199 1 199 33 parsed_1buf 1
51 "distance constraint number 52" 203 1 203 33 parsed_1buf 1
52 "distance constraint number 53" 207 1 207 33 parsed_1buf 1
53 "distance constraint number 54" 211 1 211 33 parsed_1buf 1
54 "distance constraint number 55" 215 1 215 33 parsed_1buf 1
55 "distance constraint number 56" 219 1 219 33 parsed_1buf 1
56 "distance constraint number 57" 223 1 223 33 parsed_1buf 1
57 "distance constraint number 58" 227 1 227 33 parsed_1buf 1
58 "distance constraint number 59" 231 1 231 33 parsed_1buf 1
59 "distance constraint number 60" 235 1 235 33 parsed_1buf 1
60 "distance constraint number 61" 239 1 239 33 parsed_1buf 1
61 "distance constraint number 62" 243 1 243 33 parsed_1buf 1
62 "distance constraint number 63" 247 1 247 33 parsed_1buf 1
63 "distance constraint number 64" 251 1 251 33 parsed_1buf 1
64 "distance constraint number 65" 255 1 255 33 parsed_1buf 1
65 "distance constraint number 66" 259 1 259 33 parsed_1buf 1
66 "distance constraint number 67" 263 1 263 33 parsed_1buf 1
67 "distance constraint number 68" 267 1 267 33 parsed_1buf 1
68 "distance constraint number 69" 271 1 271 33 parsed_1buf 1
69 "distance constraint number 70" 275 1 275 33 parsed_1buf 1
70 "distance constraint number 71" 279 1 279 33 parsed_1buf 1
71 "distance constraint number 72" 283 1 283 33 parsed_1buf 1
72 "distance constraint number 73" 287 1 287 33 parsed_1buf 1
73 "distance constraint number 74" 291 1 291 33 parsed_1buf 1
74 "distance constraint number 75" 295 1 295 33 parsed_1buf 1
75 "distance constraint number 76" 299 1 299 33 parsed_1buf 1
76 "distance constraint number 77" 303 1 303 33 parsed_1buf 1
77 "distance constraint number 78" 307 1 307 33 parsed_1buf 1
78 "distance constraint number 79" 311 1 311 33 parsed_1buf 1
79
;
distance constraint number 80
distance constraint number 81
;
315 1 316 33 parsed_1buf 1
80 "distance constraint number 82" 320 1 320 33 parsed_1buf 1
81 "distance constraint number 83" 324 1 324 33 parsed_1buf 1
82 "distance constraint number 84" 328 1 328 33 parsed_1buf 1
83 "distance constraint number 85" 332 1 332 33 parsed_1buf 1
84 "distance constraint number 86" 336 1 336 33 parsed_1buf 1
85 "distance constraint number 87" 340 1 340 33 parsed_1buf 1
86 "distance constraint number 88" 344 1 344 33 parsed_1buf 1
87 "distance constraint number 89" 348 1 348 33 parsed_1buf 1
88 "distance constraint number 90" 352 1 352 33 parsed_1buf 1
89 "distance constraint number 91" 356 1 356 33 parsed_1buf 1
90 "distance constraint number 92" 360 1 360 33 parsed_1buf 1
91 "distance constraint number 93" 364 1 364 33 parsed_1buf 1
92 "distance constraint number 94" 368 1 368 33 parsed_1buf 1
93 "distance constraint number 95" 372 1 372 33 parsed_1buf 1
94 "distance constraint number 96" 376 1 376 33 parsed_1buf 1
95 "distance constraint number 97" 380 1 380 33 parsed_1buf 1
96 "distance constraint number 98" 384 1 384 33 parsed_1buf 1
97 "distance constraint number 99" 388 1 388 33 parsed_1buf 1
98 "distance constraint number 100" 392 1 392 33 parsed_1buf 1
99 "distance constraint number 101" 396 1 396 33 parsed_1buf 1
100 "distance constraint number 102" 400 1 400 33 parsed_1buf 1
101 "distance constraint number 103" 404 1 404 33 parsed_1buf 1
102 "distance constraint number 104" 408 1 408 33 parsed_1buf 1
103 "distance constraint number 105" 412 1 412 33 parsed_1buf 1
104 "distance constraint number 106" 416 1 416 33 parsed_1buf 1
105 "distance constraint number 107" 420 1 420 33 parsed_1buf 1
106 "distance constraint number 108" 424 1 424 33 parsed_1buf 1
107
;
distance constraint number 109
distance constraint number 110
distance constraint number 111
;
428 1 430 33 parsed_1buf 1
108 "distance constraint number 112" 434 1 434 33 parsed_1buf 1
109 "distance constraint number 113" 438 1 438 33 parsed_1buf 1
110 "distance constraint number 114" 442 1 442 33 parsed_1buf 1
111 "distance constraint number 115" 446 1 446 33 parsed_1buf 1
112 "distance constraint number 116" 450 1 450 33 parsed_1buf 1
113 "distance constraint number 117" 454 1 454 33 parsed_1buf 1
114 "distance constraint number 118" 458 1 458 33 parsed_1buf 1
115 "distance constraint number 119" 462 1 462 33 parsed_1buf 1
116 "distance constraint number 120" 466 1 466 33 parsed_1buf 1
117 "distance constraint number 121" 470 1 470 33 parsed_1buf 1
118 "distance constraint number 122" 474 1 474 33 parsed_1buf 1
119 "distance constraint number 123" 478 1 478 33 parsed_1buf 1
120 "distance constraint number 124" 482 1 482 33 parsed_1buf 1
121 "distance constraint number 125" 486 1 486 33 parsed_1buf 1
122 "distance constraint number 126" 490 1 490 33 parsed_1buf 1
123 "distance constraint number 127" 494 1 494 33 parsed_1buf 1
124 "distance constraint number 128" 498 1 498 33 parsed_1buf 1
125 "distance constraint number 129" 502 1 502 33 parsed_1buf 1
126 "distance constraint number 130" 506 1 506 33 parsed_1buf 1
127 "distance constraint number 131" 510 1 510 33 parsed_1buf 1
128 "distance constraint number 132" 514 1 514 33 parsed_1buf 1
129 "distance constraint number 133" 518 1 518 33 parsed_1buf 1
130 "distance constraint number 134" 522 1 522 33 parsed_1buf 1
131 "distance constraint number 135" 526 1 526 33 parsed_1buf 1
132 "distance constraint number 136" 530 1 530 33 parsed_1buf 1
133 "distance constraint number 137" 534 1 534 33 parsed_1buf 1
134 "distance constraint number 138" 538 1 538 33 parsed_1buf 1
135 "distance constraint number 139" 542 1 542 33 parsed_1buf 1
136
;
distance constraint number 140
distance constraint number 141
distance constraint number 142
;
546 1 548 33 parsed_1buf 1
137 "distance constraint number 143" 552 1 552 33 parsed_1buf 1
138 "distance constraint number 144" 556 1 556 33 parsed_1buf 1
139 "distance constraint number 145" 560 1 560 33 parsed_1buf 1
140 "distance constraint number 146" 564 1 564 33 parsed_1buf 1
141 "distance constraint number 147" 568 1 568 33 parsed_1buf 1
142 "distance constraint number 148" 572 1 572 33 parsed_1buf 1
143 "distance constraint number 149" 576 1 576 33 parsed_1buf 1
144 "distance constraint number 150" 580 1 580 33 parsed_1buf 1
145 "distance constraint number 151" 584 1 584 33 parsed_1buf 1
146 "distance constraint number 152" 588 1 588 33 parsed_1buf 1
147 "distance constraint number 153" 592 1 592 33 parsed_1buf 1
148 "distance constraint number 154" 596 1 596 33 parsed_1buf 1
149 "distance constraint number 155" 600 1 600 33 parsed_1buf 1
150 "distance constraint number 156" 604 1 604 33 parsed_1buf 1
151 "distance constraint number 157" 608 1 608 33 parsed_1buf 1
152 "distance constraint number 158" 612 1 612 33 parsed_1buf 1
153 "distance constraint number 159" 616 1 616 33 parsed_1buf 1
154 "distance constraint number 160" 620 1 620 33 parsed_1buf 1
155 "distance constraint number 161" 624 1 624 33 parsed_1buf 1
156 "distance constraint number 162" 628 1 628 33 parsed_1buf 1
157 "distance constraint number 163" 632 1 632 33 parsed_1buf 1
158 "distance constraint number 164" 636 1 636 33 parsed_1buf 1
159 "distance constraint number 165" 640 1 640 33 parsed_1buf 1
160 "distance constraint number 166" 644 1 644 33 parsed_1buf 1
161 "distance constraint number 167" 648 1 648 33 parsed_1buf 1
162 "distance constraint number 168" 652 1 652 33 parsed_1buf 1
163 "distance constraint number 169" 656 1 656 33 parsed_1buf 1
164 "distance constraint number 170" 660 1 660 33 parsed_1buf 1
165 "distance constraint number 171" 664 1 664 33 parsed_1buf 1
166 "distance constraint number 172" 668 1 668 33 parsed_1buf 1
167 "distance constraint number 173" 672 1 672 33 parsed_1buf 1
168 "distance constraint number 174" 676 1 676 33 parsed_1buf 1
169 "distance constraint number 175" 680 1 680 33 parsed_1buf 1
170 "distance constraint number 176" 684 1 684 33 parsed_1buf 1
stop_
save_
save_AMBER_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1buf
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.4 -13.4 . 1buf_ambr001 1 DC5 C4' 1buf_ambr001 1 DC5 O4' 1buf_ambr001 1 DC5 C1' 1buf_ambr001 1 DC5 C2' parsed_1buf 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27.8 32.8 . 1buf_ambr001 1 DC5 O4' 1buf_ambr001 1 DC5 C1' 1buf_ambr001 1 DC5 C2' 1buf_ambr001 1 DC5 C3' parsed_1buf 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.5 -29.5 . 1buf_ambr001 1 DC5 C1' 1buf_ambr001 1 DC5 C2' 1buf_ambr001 1 DC5 C3' 1buf_ambr001 1 DC5 C4' parsed_1buf 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.7 26.7 . 1buf_ambr001 1 DC5 C2' 1buf_ambr001 1 DC5 C3' 1buf_ambr001 1 DC5 C4' 1buf_ambr001 1 DC5 O4' parsed_1buf 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -7.9 -2.9 . 1buf_ambr001 1 DC5 C3' 1buf_ambr001 1 DC5 C4' 1buf_ambr001 1 DC5 O4' 1buf_ambr001 1 DC5 C1' parsed_1buf 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.4 -13.4 . 1buf_ambr002 1 DC5 C4' 1buf_ambr002 1 DC5 O4' 1buf_ambr002 1 DC5 C1' 1buf_ambr002 1 DC5 C2' parsed_1buf 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27.8 32.8 . 1buf_ambr002 1 DC5 O4' 1buf_ambr002 1 DC5 C1' 1buf_ambr002 1 DC5 C2' 1buf_ambr002 1 DC5 C3' parsed_1buf 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.5 -29.5 . 1buf_ambr002 1 DC5 C1' 1buf_ambr002 1 DC5 C2' 1buf_ambr002 1 DC5 C3' 1buf_ambr002 1 DC5 C4' parsed_1buf 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.7 26.7 . 1buf_ambr002 1 DC5 C2' 1buf_ambr002 1 DC5 C3' 1buf_ambr002 1 DC5 C4' 1buf_ambr002 1 DC5 O4' parsed_1buf 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -7.9 -2.9 . 1buf_ambr002 1 DC5 C3' 1buf_ambr002 1 DC5 C4' 1buf_ambr002 1 DC5 O4' 1buf_ambr002 1 DC5 C1' parsed_1buf 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.6 -13.6 . 1buf_ambr001 2 DA C4' 1buf_ambr001 2 DA O4' 1buf_ambr001 2 DA C1' 1buf_ambr001 2 DA C2' parsed_1buf 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.9 33.9 . 1buf_ambr001 2 DA O4' 1buf_ambr001 2 DA C1' 1buf_ambr001 2 DA C2' 1buf_ambr001 2 DA C3' parsed_1buf 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.7 -30.7 . 1buf_ambr001 2 DA C1' 1buf_ambr001 2 DA C2' 1buf_ambr001 2 DA C3' 1buf_ambr001 2 DA C4' parsed_1buf 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23.1 28.1 . 1buf_ambr001 2 DA C2' 1buf_ambr001 2 DA C3' 1buf_ambr001 2 DA C4' 1buf_ambr001 2 DA O4' parsed_1buf 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.6 -3.6 . 1buf_ambr001 2 DA C3' 1buf_ambr001 2 DA C4' 1buf_ambr001 2 DA O4' 1buf_ambr001 2 DA C1' parsed_1buf 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.6 -13.6 . 1buf_ambr002 2 DA C4' 1buf_ambr002 2 DA O4' 1buf_ambr002 2 DA C1' 1buf_ambr002 2 DA C2' parsed_1buf 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.9 33.9 . 1buf_ambr002 2 DA O4' 1buf_ambr002 2 DA C1' 1buf_ambr002 2 DA C2' 1buf_ambr002 2 DA C3' parsed_1buf 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.7 -30.7 . 1buf_ambr002 2 DA C1' 1buf_ambr002 2 DA C2' 1buf_ambr002 2 DA C3' 1buf_ambr002 2 DA C4' parsed_1buf 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23.1 28.1 . 1buf_ambr002 2 DA C2' 1buf_ambr002 2 DA C3' 1buf_ambr002 2 DA C4' 1buf_ambr002 2 DA O4' parsed_1buf 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.6 -3.6 . 1buf_ambr002 2 DA C3' 1buf_ambr002 2 DA C4' 1buf_ambr002 2 DA O4' 1buf_ambr002 2 DA C1' parsed_1buf 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.9 -18.9 . 1buf_ambr001 3 DA C4' 1buf_ambr001 3 DA O4' 1buf_ambr001 3 DA C1' 1buf_ambr001 3 DA C2' parsed_1buf 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32.7 37.7 . 1buf_ambr001 3 DA O4' 1buf_ambr001 3 DA C1' 1buf_ambr001 3 DA C2' 1buf_ambr001 3 DA C3' parsed_1buf 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.8 -31.8 . 1buf_ambr001 3 DA C1' 1buf_ambr001 3 DA C2' 1buf_ambr001 3 DA C3' 1buf_ambr001 3 DA C4' parsed_1buf 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.1 26.1 . 1buf_ambr001 3 DA C2' 1buf_ambr001 3 DA C3' 1buf_ambr001 3 DA C4' 1buf_ambr001 3 DA O4' parsed_1buf 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -4.1 0.9 . 1buf_ambr001 3 DA C3' 1buf_ambr001 3 DA C4' 1buf_ambr001 3 DA O4' 1buf_ambr001 3 DA C1' parsed_1buf 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.9 -18.9 . 1buf_ambr002 3 DA C4' 1buf_ambr002 3 DA O4' 1buf_ambr002 3 DA C1' 1buf_ambr002 3 DA C2' parsed_1buf 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32.7 37.7 . 1buf_ambr002 3 DA O4' 1buf_ambr002 3 DA C1' 1buf_ambr002 3 DA C2' 1buf_ambr002 3 DA C3' parsed_1buf 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.8 -31.8 . 1buf_ambr002 3 DA C1' 1buf_ambr002 3 DA C2' 1buf_ambr002 3 DA C3' 1buf_ambr002 3 DA C4' parsed_1buf 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.1 26.1 . 1buf_ambr002 3 DA C2' 1buf_ambr002 3 DA C3' 1buf_ambr002 3 DA C4' 1buf_ambr002 3 DA O4' parsed_1buf 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -4.1 0.9 . 1buf_ambr002 3 DA C3' 1buf_ambr002 3 DA C4' 1buf_ambr002 3 DA O4' 1buf_ambr002 3 DA C1' parsed_1buf 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.1 -18.1 . 1buf_ambr001 4 DT C4' 1buf_ambr001 4 DT O4' 1buf_ambr001 4 DT C1' 1buf_ambr001 4 DT C2' parsed_1buf 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.1 36.1 . 1buf_ambr001 4 DT O4' 1buf_ambr001 4 DT C1' 1buf_ambr001 4 DT C2' 1buf_ambr001 4 DT C3' parsed_1buf 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.1 -30.1 . 1buf_ambr001 4 DT C1' 1buf_ambr001 4 DT C2' 1buf_ambr001 4 DT C3' 1buf_ambr001 4 DT C4' parsed_1buf 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.7 24.7 . 1buf_ambr001 4 DT C2' 1buf_ambr001 4 DT C3' 1buf_ambr001 4 DT C4' 1buf_ambr001 4 DT O4' parsed_1buf 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.7 1.3 . 1buf_ambr001 4 DT C3' 1buf_ambr001 4 DT C4' 1buf_ambr001 4 DT O4' 1buf_ambr001 4 DT C1' parsed_1buf 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.1 -18.1 . 1buf_ambr002 4 DT C4' 1buf_ambr002 4 DT O4' 1buf_ambr002 4 DT C1' 1buf_ambr002 4 DT C2' parsed_1buf 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.1 36.1 . 1buf_ambr002 4 DT O4' 1buf_ambr002 4 DT C1' 1buf_ambr002 4 DT C2' 1buf_ambr002 4 DT C3' parsed_1buf 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.1 -30.1 . 1buf_ambr002 4 DT C1' 1buf_ambr002 4 DT C2' 1buf_ambr002 4 DT C3' 1buf_ambr002 4 DT C4' parsed_1buf 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.7 24.7 . 1buf_ambr002 4 DT C2' 1buf_ambr002 4 DT C3' 1buf_ambr002 4 DT C4' 1buf_ambr002 4 DT O4' parsed_1buf 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.7 1.3 . 1buf_ambr002 4 DT C3' 1buf_ambr002 4 DT C4' 1buf_ambr002 4 DT O4' 1buf_ambr002 4 DT C1' parsed_1buf 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.1 -18.1 . 1buf_ambr001 5 DT C4' 1buf_ambr001 5 DT O4' 1buf_ambr001 5 DT C1' 1buf_ambr001 5 DT C2' parsed_1buf 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.1 36.1 . 1buf_ambr001 5 DT O4' 1buf_ambr001 5 DT C1' 1buf_ambr001 5 DT C2' 1buf_ambr001 5 DT C3' parsed_1buf 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.1 -30.1 . 1buf_ambr001 5 DT C1' 1buf_ambr001 5 DT C2' 1buf_ambr001 5 DT C3' 1buf_ambr001 5 DT C4' parsed_1buf 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.7 24.7 . 1buf_ambr001 5 DT C2' 1buf_ambr001 5 DT C3' 1buf_ambr001 5 DT C4' 1buf_ambr001 5 DT O4' parsed_1buf 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.7 1.3 . 1buf_ambr001 5 DT C3' 1buf_ambr001 5 DT C4' 1buf_ambr001 5 DT O4' 1buf_ambr001 5 DT C1' parsed_1buf 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.1 -18.1 . 1buf_ambr002 5 DT C4' 1buf_ambr002 5 DT O4' 1buf_ambr002 5 DT C1' 1buf_ambr002 5 DT C2' parsed_1buf 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.1 36.1 . 1buf_ambr002 5 DT O4' 1buf_ambr002 5 DT C1' 1buf_ambr002 5 DT C2' 1buf_ambr002 5 DT C3' parsed_1buf 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.1 -30.1 . 1buf_ambr002 5 DT C1' 1buf_ambr002 5 DT C2' 1buf_ambr002 5 DT C3' 1buf_ambr002 5 DT C4' parsed_1buf 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.7 24.7 . 1buf_ambr002 5 DT C2' 1buf_ambr002 5 DT C3' 1buf_ambr002 5 DT C4' 1buf_ambr002 5 DT O4' parsed_1buf 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.7 1.3 . 1buf_ambr002 5 DT C3' 1buf_ambr002 5 DT C4' 1buf_ambr002 5 DT O4' 1buf_ambr002 5 DT C1' parsed_1buf 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -13.4 -8.4 . 1buf_ambr001 6 DG3 C4' 1buf_ambr001 6 DG3 O4' 1buf_ambr001 6 DG3 C1' 1buf_ambr001 6 DG3 C2' parsed_1buf 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 30.0 . 1buf_ambr001 6 DG3 O4' 1buf_ambr001 6 DG3 C1' 1buf_ambr001 6 DG3 C2' 1buf_ambr001 6 DG3 C3' parsed_1buf 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.6 -29.6 . 1buf_ambr001 6 DG3 C1' 1buf_ambr001 6 DG3 C2' 1buf_ambr001 6 DG3 C3' 1buf_ambr001 6 DG3 C4' parsed_1buf 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 30.0 . 1buf_ambr001 6 DG3 C2' 1buf_ambr001 6 DG3 C3' 1buf_ambr001 6 DG3 C4' 1buf_ambr001 6 DG3 O4' parsed_1buf 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -13.1 -8.1 . 1buf_ambr001 6 DG3 C3' 1buf_ambr001 6 DG3 C4' 1buf_ambr001 6 DG3 O4' 1buf_ambr001 6 DG3 C1' parsed_1buf 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -13.4 -8.4 . 1buf_ambr002 6 DG3 C4' 1buf_ambr002 6 DG3 O4' 1buf_ambr002 6 DG3 C1' 1buf_ambr002 6 DG3 C2' parsed_1buf 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 30.0 . 1buf_ambr002 6 DG3 O4' 1buf_ambr002 6 DG3 C1' 1buf_ambr002 6 DG3 C2' 1buf_ambr002 6 DG3 C3' parsed_1buf 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.6 -29.6 . 1buf_ambr002 6 DG3 C1' 1buf_ambr002 6 DG3 C2' 1buf_ambr002 6 DG3 C3' 1buf_ambr002 6 DG3 C4' parsed_1buf 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 30.0 . 1buf_ambr002 6 DG3 C2' 1buf_ambr002 6 DG3 C3' 1buf_ambr002 6 DG3 C4' 1buf_ambr002 6 DG3 O4' parsed_1buf 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -13.1 -8.1 . 1buf_ambr002 6 DG3 C3' 1buf_ambr002 6 DG3 C4' 1buf_ambr002 6 DG3 O4' 1buf_ambr002 6 DG3 C1' parsed_1buf 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
;
sugar torsion from J-value (modified Karplus Equation) error +-0.5Hz
JrMM derived sugar torsion, range +-2.5 degrees, ext. 10 degrees
sugar torsion C1,C7 , rk2, rk3 = 5 x kdist (10) = 50
;
1 1 3 55 parsed_1buf 1
2 "sugar torsion A2,A8" 16 1 16 22 parsed_1buf 1
3 "sugar torsion A3,A9" 29 1 29 22 parsed_1buf 1
4 "sugar torsion T4,T10" 42 1 42 23 parsed_1buf 1
5 "sugar torsion T5,T11" 55 1 55 23 parsed_1buf 1
6 "sugar torsion G6,G12" 68 1 68 23 parsed_1buf 1
stop_
save_
save_AMBER_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1buf
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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_1buf 2
2 1 . . . parsed_1buf 2
3 1 . . . parsed_1buf 2
4 1 . . . parsed_1buf 2
5 1 . . . parsed_1buf 2
6 1 . . . parsed_1buf 2
7 1 . . . parsed_1buf 2
8 1 . . . parsed_1buf 2
9 1 . . . parsed_1buf 2
10 1 . . . parsed_1buf 2
11 1 . . . parsed_1buf 2
12 1 . . . parsed_1buf 2
13 1 . . . parsed_1buf 2
14 1 . . . parsed_1buf 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . 1buf_ambr001 1 DC5 N4 parsed_1buf 2
1 1 2 . . . . . . . . 1buf_ambr002 6 DG3 O6 parsed_1buf 2
2 1 1 . . . . . . . . 1buf_ambr001 1 DC5 N3 parsed_1buf 2
2 1 2 . . . . . . . . 1buf_ambr002 6 DG3 N1 parsed_1buf 2
3 1 1 . . . . . . . . 1buf_ambr001 1 DC5 O2 parsed_1buf 2
3 1 2 . . . . . . . . 1buf_ambr002 6 DG3 N2 parsed_1buf 2
4 1 1 . . . . . . . . 1buf_ambr001 2 DA N6 parsed_1buf 2
4 1 2 . . . . . . . . 1buf_ambr002 5 DT O4 parsed_1buf 2
5 1 1 . . . . . . . . 1buf_ambr001 2 DA N1 parsed_1buf 2
5 1 2 . . . . . . . . 1buf_ambr002 5 DT N3 parsed_1buf 2
6 1 1 . . . . . . . . 1buf_ambr001 3 DA N6 parsed_1buf 2
6 1 2 . . . . . . . . 1buf_ambr002 4 DT O4 parsed_1buf 2
7 1 1 . . . . . . . . 1buf_ambr001 3 DA N1 parsed_1buf 2
7 1 2 . . . . . . . . 1buf_ambr002 4 DT N3 parsed_1buf 2
8 1 1 . . . . . . . . 1buf_ambr001 4 DT O4 parsed_1buf 2
8 1 2 . . . . . . . . 1buf_ambr002 3 DA N6 parsed_1buf 2
9 1 1 . . . . . . . . 1buf_ambr001 4 DT N3 parsed_1buf 2
9 1 2 . . . . . . . . 1buf_ambr002 3 DA N1 parsed_1buf 2
10 1 1 . . . . . . . . 1buf_ambr001 5 DT O4 parsed_1buf 2
10 1 2 . . . . . . . . 1buf_ambr002 2 DA N6 parsed_1buf 2
11 1 1 . . . . . . . . 1buf_ambr001 5 DT N3 parsed_1buf 2
11 1 2 . . . . . . . . 1buf_ambr002 2 DA N1 parsed_1buf 2
12 1 1 . . . . . . . . 1buf_ambr001 6 DG3 O6 parsed_1buf 2
12 1 2 . . . . . . . . 1buf_ambr002 1 DC5 N4 parsed_1buf 2
13 1 1 . . . . . . . . 1buf_ambr001 6 DG3 N1 parsed_1buf 2
13 1 2 . . . . . . . . 1buf_ambr002 1 DC5 N3 parsed_1buf 2
14 1 1 . . . . . . . . 1buf_ambr001 6 DG3 N2 parsed_1buf 2
14 1 2 . . . . . . . . 1buf_ambr002 1 DC5 O2 parsed_1buf 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.01 2.81 3.31 parsed_1buf 2
2 1 . . . . . 3.05 2.85 3.35 parsed_1buf 2
3 1 . . . . . 2.96 2.76 3.26 parsed_1buf 2
4 1 . . . . . 3.05 2.85 3.35 parsed_1buf 2
5 1 . . . . . 2.92 2.72 3.22 parsed_1buf 2
6 1 . . . . . 3.05 2.85 3.35 parsed_1buf 2
7 1 . . . . . 2.92 2.72 3.22 parsed_1buf 2
8 1 . . . . . 3.05 2.85 3.35 parsed_1buf 2
9 1 . . . . . 2.92 2.72 3.22 parsed_1buf 2
10 1 . . . . . 3.05 2.85 3.35 parsed_1buf 2
11 1 . . . . . 2.92 2.72 3.22 parsed_1buf 2
12 1 . . . . . 3.01 2.81 3.31 parsed_1buf 2
13 1 . . . . . 3.05 2.85 3.35 parsed_1buf 2
14 1 . . . . . 2.96 2.76 3.26 parsed_1buf 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
r1=0, r4=r3+0.3; ref.: James (1994) Biochemistry 33, 354
H-bond distance C1-G12, rk2, rk3 = 50% of kdist (10) = 5
;
1 1 2 59 parsed_1buf 2
2 "H-bond distance A2-T11" 7 1 7 25 parsed_1buf 2
3 "H-bond distance A3-T10" 10 1 10 25 parsed_1buf 2
4 "H-bond distance T4-A9" 13 1 13 24 parsed_1buf 2
5 "H-bond distance T5-A8" 16 1 16 24 parsed_1buf 2
6 "H-bond distance G6-C7" 19 1 19 24 parsed_1buf 2
stop_
save_
save_AMBER_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1buf
_Torsion_angle_constraint_list.ID 2
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.8 -153.8 . 1buf_ambr001 1 DC5 C4' 1buf_ambr001 1 DC5 C3' 1buf_ambr001 1 DC5 O3' 1buf_ambr001 2 DA P parsed_1buf 2
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.1 -31.1 . 1buf_ambr001 1 DC5 H3' 1buf_ambr001 1 DC5 C3' 1buf_ambr001 1 DC5 O3' 1buf_ambr001 2 DA P parsed_1buf 2
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.8 -153.8 . 1buf_ambr002 1 DC5 C4' 1buf_ambr002 1 DC5 C3' 1buf_ambr002 1 DC5 O3' 1buf_ambr002 2 DA P parsed_1buf 2
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.1 -31.1 . 1buf_ambr002 1 DC5 H3' 1buf_ambr002 1 DC5 C3' 1buf_ambr002 1 DC5 O3' 1buf_ambr002 2 DA P parsed_1buf 2
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.8 -153.8 . 1buf_ambr001 2 DA C4' 1buf_ambr001 2 DA C5' 1buf_ambr001 2 DA O5' 1buf_ambr001 2 DA P parsed_1buf 2
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.8 -153.8 . 1buf_ambr001 2 DA C4' 1buf_ambr001 2 DA C3' 1buf_ambr001 2 DA O3' 1buf_ambr001 3 DA P parsed_1buf 2
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.9 -32.9 . 1buf_ambr001 2 DA H3' 1buf_ambr001 2 DA C3' 1buf_ambr001 2 DA O3' 1buf_ambr001 3 DA P parsed_1buf 2
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.8 -153.8 . 1buf_ambr002 2 DA C4' 1buf_ambr002 2 DA C5' 1buf_ambr002 2 DA O5' 1buf_ambr002 2 DA P parsed_1buf 2
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.8 -153.8 . 1buf_ambr002 2 DA C4' 1buf_ambr002 2 DA C3' 1buf_ambr002 2 DA O3' 1buf_ambr002 3 DA P parsed_1buf 2
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.9 -32.9 . 1buf_ambr002 2 DA H3' 1buf_ambr002 2 DA C3' 1buf_ambr002 2 DA O3' 1buf_ambr002 3 DA P parsed_1buf 2
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 157.6 162.6 . 1buf_ambr001 3 DA C4' 1buf_ambr001 3 DA C5' 1buf_ambr001 3 DA O5' 1buf_ambr001 3 DA P parsed_1buf 2
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.6 -157.6 . 1buf_ambr001 3 DA C4' 1buf_ambr001 3 DA C3' 1buf_ambr001 3 DA O3' 1buf_ambr001 4 DT P parsed_1buf 2
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -37.0 . 1buf_ambr001 3 DA H3' 1buf_ambr001 3 DA C3' 1buf_ambr001 3 DA O3' 1buf_ambr001 4 DT P parsed_1buf 2
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 157.6 162.6 . 1buf_ambr002 3 DA C4' 1buf_ambr002 3 DA C5' 1buf_ambr002 3 DA O5' 1buf_ambr002 3 DA P parsed_1buf 2
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.6 -157.6 . 1buf_ambr002 3 DA C4' 1buf_ambr002 3 DA C3' 1buf_ambr002 3 DA O3' 1buf_ambr002 4 DT P parsed_1buf 2
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -37.0 . 1buf_ambr002 3 DA H3' 1buf_ambr002 3 DA C3' 1buf_ambr002 3 DA O3' 1buf_ambr002 4 DT P parsed_1buf 2
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 152.9 157.9 . 1buf_ambr001 4 DT C4' 1buf_ambr001 4 DT C5' 1buf_ambr001 4 DT O5' 1buf_ambr001 4 DT P parsed_1buf 2
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.9 -152.9 . 1buf_ambr001 4 DT C4' 1buf_ambr001 4 DT C3' 1buf_ambr001 4 DT O3' 1buf_ambr001 5 DT P parsed_1buf 2
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.1 -31.1 . 1buf_ambr001 4 DT H3' 1buf_ambr001 4 DT C3' 1buf_ambr001 4 DT O3' 1buf_ambr001 5 DT P parsed_1buf 2
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 152.9 157.9 . 1buf_ambr002 4 DT C4' 1buf_ambr002 4 DT C5' 1buf_ambr002 4 DT O5' 1buf_ambr002 4 DT P parsed_1buf 2
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.9 -152.9 . 1buf_ambr002 4 DT C4' 1buf_ambr002 4 DT C3' 1buf_ambr002 4 DT O3' 1buf_ambr002 5 DT P parsed_1buf 2
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.1 -31.1 . 1buf_ambr002 4 DT H3' 1buf_ambr002 4 DT C3' 1buf_ambr002 4 DT O3' 1buf_ambr002 5 DT P parsed_1buf 2
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.8 -159.8 . 1buf_ambr001 5 DT C4' 1buf_ambr001 5 DT C5' 1buf_ambr001 5 DT O5' 1buf_ambr001 5 DT P parsed_1buf 2
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.8 -159.8 . 1buf_ambr001 5 DT C4' 1buf_ambr001 5 DT C3' 1buf_ambr001 5 DT O3' 1buf_ambr001 6 DG3 P parsed_1buf 2
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.2 -43.2 . 1buf_ambr001 5 DT H3' 1buf_ambr001 5 DT C3' 1buf_ambr001 5 DT O3' 1buf_ambr001 6 DG3 P parsed_1buf 2
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.8 -159.8 . 1buf_ambr002 5 DT C4' 1buf_ambr002 5 DT C5' 1buf_ambr002 5 DT O5' 1buf_ambr002 5 DT P parsed_1buf 2
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.8 -159.8 . 1buf_ambr002 5 DT C4' 1buf_ambr002 5 DT C3' 1buf_ambr002 5 DT O3' 1buf_ambr002 6 DG3 P parsed_1buf 2
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.2 -43.2 . 1buf_ambr002 5 DT H3' 1buf_ambr002 5 DT C3' 1buf_ambr002 5 DT O3' 1buf_ambr002 6 DG3 P parsed_1buf 2
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.7 163.7 . 1buf_ambr001 6 DG3 C4' 1buf_ambr001 6 DG3 C5' 1buf_ambr001 6 DG3 O5' 1buf_ambr001 6 DG3 P parsed_1buf 2
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.7 163.7 . 1buf_ambr002 6 DG3 C4' 1buf_ambr002 6 DG3 C5' 1buf_ambr002 6 DG3 O5' 1buf_ambr002 6 DG3 P parsed_1buf 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
;
backbone torsion; belta and epsilon (can be determined from HSQC expt.)
the following torsion angles are in the order of:
C4'-C5'-O5'-P (beta); C4'-C3'-O3'-P(n+1) (epsilon); H3'-C3'-O3'-P(n+1)
+/- 2.5 Hz => +/- 2.5 deg. extending 10 deg. at each side.
from C1 and C7 =================================================
;
1 1 6 69 parsed_1buf 2
2 "from A2 and A8 =================================================" 12 1 12 69 parsed_1buf 2
3 "from A3 and A9 =================================================" 23 1 23 69 parsed_1buf 2
4 "from T4 and T10 =================================================" 34 1 34 70 parsed_1buf 2
5 "from T5 and T11 =================================================" 45 1 45 70 parsed_1buf 2
6 "from G6 and G12 ==================================================" 56 1 56 70 parsed_1buf 2
stop_
save_
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