NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
35262 |
1lae   |
cing | 2-parsed | STAR | entry | full | 434 |
data_1lae_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1lae
_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_1lae 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1lae
_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 1lae "Master copy" parsed_1lae
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1lae
_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 1lae.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 2 distance NOE ambi 159 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 3 distance NOE ambi 44 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 4 distance NOE ambi 70 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 5 distance NOE ambi 27 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 25 parsed_1lae 1
1 1lae.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_1lae 1
1 1lae.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 65 parsed_1lae 1
1 1lae.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 12 "dihedral angle" "Not applicable" "Not applicable" 10 parsed_1lae 1
1 1lae.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1lae 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_1lae
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER DNA 28-MAR-02 1LAE
*TITLE SOLUTION STRUCTURE OF THE DNA 13-MER HAIRPIN CGCGGTXTCCGCG
*TITLE 2 (X=PDG) CONTAINING THE 1,N2-PROPANODEOXYGUANOSINE ADDUCT
*TITLE 3 AT THE SEVENTH POSITION
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: 5'-D(*CP*GP*CP*GP*GP*TP*(P)P*TP*CP*CP*GP*CP*G)-
*COMPND 3 3';
*COMPND 4 CHAIN: A;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: THIS SYNTHETIC DNA SEQUENCE WAS DERIVED
*SOURCE 4 FROM THE HISD3052 GENE OF SALMONELLA TYPHIMURIUM.
*KEYWDS DNA, HAIRPIN, NMR, PROPANPODEOXYGUANOSINE
*EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE
*AUTHOR J.P.WEISENSEEL, G.R.REDDY, L.J.MARNETT, M.P.STONE
*REVDAT 1 17-APR-02 1LAE 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lae
_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_1lae 1
2 1 . . . parsed_1lae 1
3 1 . . . parsed_1lae 1
4 1 . . . parsed_1lae 1
5 1 . . . parsed_1lae 1
6 1 . . . parsed_1lae 1
7 1 . . . parsed_1lae 1
8 1 . . . parsed_1lae 1
9 1 . . . parsed_1lae 1
10 1 . . . parsed_1lae 1
11 1 . . . parsed_1lae 1
12 1 . . . parsed_1lae 1
13 1 . . . parsed_1lae 1
14 1 . . . parsed_1lae 1
15 1 . . . parsed_1lae 1
16 1 . . . parsed_1lae 1
17 1 . . . parsed_1lae 1
18 1 . . . parsed_1lae 1
19 1 . . . parsed_1lae 1
20 1 . . . parsed_1lae 1
21 1 . . . parsed_1lae 1
22 1 . . . parsed_1lae 1
23 1 . . . parsed_1lae 1
24 1 . . . parsed_1lae 1
25 1 . . . parsed_1lae 1
26 1 . . . parsed_1lae 1
27 1 . . . parsed_1lae 1
28 1 . . . parsed_1lae 1
29 1 . . . parsed_1lae 1
30 1 . . . parsed_1lae 1
31 1 . . . parsed_1lae 1
32 1 . . . parsed_1lae 1
33 1 . . . parsed_1lae 1
34 1 . . . parsed_1lae 1
35 1 . . . parsed_1lae 1
36 1 . . . parsed_1lae 1
37 1 . . . parsed_1lae 1
38 1 . . . parsed_1lae 1
39 1 . . . parsed_1lae 1
40 1 . . . parsed_1lae 1
41 1 . . . parsed_1lae 1
42 1 . . . parsed_1lae 1
43 1 . . . parsed_1lae 1
44 1 . . . parsed_1lae 1
45 1 . . . parsed_1lae 1
46 1 . . . parsed_1lae 1
47 1 . . . parsed_1lae 1
48 1 . . . parsed_1lae 1
49 1 . . . parsed_1lae 1
50 1 . . . parsed_1lae 1
51 1 . . . parsed_1lae 1
52 1 . . . parsed_1lae 1
53 1 . . . parsed_1lae 1
54 1 . . . parsed_1lae 1
55 1 . . . parsed_1lae 1
56 1 . . . parsed_1lae 1
57 1 . . . parsed_1lae 1
58 1 . . . parsed_1lae 1
59 1 . . . parsed_1lae 1
60 1 . . . parsed_1lae 1
61 1 . . . parsed_1lae 1
62 1 . . . parsed_1lae 1
63 1 . . . parsed_1lae 1
64 1 . . . parsed_1lae 1
65 1 . . . parsed_1lae 1
66 1 . . . parsed_1lae 1
67 1 . . . parsed_1lae 1
68 1 . . . parsed_1lae 1
69 1 . . . parsed_1lae 1
70 1 . . . parsed_1lae 1
71 1 . . . parsed_1lae 1
72 1 . . . parsed_1lae 1
73 1 . . . parsed_1lae 1
74 1 . . . parsed_1lae 1
75 1 . . . parsed_1lae 1
76 1 . . . parsed_1lae 1
77 1 . . . parsed_1lae 1
78 1 . . . parsed_1lae 1
79 1 . . . parsed_1lae 1
80 1 . . . parsed_1lae 1
81 1 . . . parsed_1lae 1
82 1 . . . parsed_1lae 1
83 1 . . . parsed_1lae 1
84 1 . . . parsed_1lae 1
85 1 . . . parsed_1lae 1
86 1 . . . parsed_1lae 1
87 1 . . . parsed_1lae 1
88 1 . . . parsed_1lae 1
89 1 . . . parsed_1lae 1
90 1 . . . parsed_1lae 1
91 1 . . . parsed_1lae 1
92 1 . . . parsed_1lae 1
93 1 . . . parsed_1lae 1
94 1 . . . parsed_1lae 1
95 1 . . . parsed_1lae 1
96 1 . . . parsed_1lae 1
97 1 . . . parsed_1lae 1
98 1 . . . parsed_1lae 1
99 1 . . . parsed_1lae 1
100 1 . . . parsed_1lae 1
101 1 . . . parsed_1lae 1
102 1 . . . parsed_1lae 1
103 1 . . . parsed_1lae 1
104 1 . . . parsed_1lae 1
105 1 . . . parsed_1lae 1
106 1 . . . parsed_1lae 1
107 1 . . . parsed_1lae 1
108 1 . . . parsed_1lae 1
109 1 . . . parsed_1lae 1
110 1 . . . parsed_1lae 1
111 1 . . . parsed_1lae 1
112 1 . . . parsed_1lae 1
113 1 . . . parsed_1lae 1
114 1 . . . parsed_1lae 1
115 1 . . . parsed_1lae 1
116 1 . . . parsed_1lae 1
117 1 . . . parsed_1lae 1
118 1 . . . parsed_1lae 1
119 1 . . . parsed_1lae 1
120 1 . . . parsed_1lae 1
121 1 . . . parsed_1lae 1
122 1 . . . parsed_1lae 1
123 1 . . . parsed_1lae 1
124 1 . . . parsed_1lae 1
125 1 . . . parsed_1lae 1
126 1 . . . parsed_1lae 1
127 1 . . . parsed_1lae 1
128 1 . . . parsed_1lae 1
129 1 . . . parsed_1lae 1
130 1 . . . parsed_1lae 1
131 1 . . . parsed_1lae 1
132 1 . . . parsed_1lae 1
133 1 . . . parsed_1lae 1
134 1 . . . parsed_1lae 1
135 1 . . . parsed_1lae 1
136 1 . . . parsed_1lae 1
137 1 . . . parsed_1lae 1
138 1 . . . parsed_1lae 1
139 1 . . . parsed_1lae 1
140 1 . . . parsed_1lae 1
141 1 . . . parsed_1lae 1
142 1 . . . parsed_1lae 1
143 1 . . . parsed_1lae 1
144 1 . . . parsed_1lae 1
145 1 . . . parsed_1lae 1
146 1 . . . parsed_1lae 1
147 1 . . . parsed_1lae 1
148 1 . . . parsed_1lae 1
149 1 . . . parsed_1lae 1
150 1 . . . parsed_1lae 1
151 1 . . . parsed_1lae 1
152 1 . . . parsed_1lae 1
153 1 . . . parsed_1lae 1
154 1 . . . parsed_1lae 1
155 1 . . . parsed_1lae 1
156 1 . . . parsed_1lae 1
157 1 . . . parsed_1lae 1
158 1 . . . parsed_1lae 1
159 1 . . . parsed_1lae 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 1 . H2' parsed_1lae 1
1 1 2 . . . . . . . . . 1 . H1' parsed_1lae 1
2 1 1 . . . . . . . . . 1 . H2' parsed_1lae 1
2 1 2 . . . . . . . . . 1 . H6 parsed_1lae 1
3 1 1 . . . . . . . . . 1 . H5 parsed_1lae 1
3 1 2 . . . . . . . . . 1 . H2' parsed_1lae 1
4 1 1 . . . . . . . . . 1 . H5' parsed_1lae 1
4 1 1 . . . . . . . . . 1 . H5'' parsed_1lae 1
4 1 2 . . . . . . . . . 1 . H6 parsed_1lae 1
5 1 1 . . . . . . . . . 2 . H5'' parsed_1lae 1
5 1 2 . . . . . . . . . 1 . H2'' parsed_1lae 1
6 1 1 . . . . . . . . . 2 . H8 parsed_1lae 1
6 1 2 . . . . . . . . . 1 . H1' parsed_1lae 1
7 1 1 . . . . . . . . . 2 . H8 parsed_1lae 1
7 1 2 . . . . . . . . . 1 . H2' parsed_1lae 1
8 1 1 . . . . . . . . . 2 . H8 parsed_1lae 1
8 1 2 . . . . . . . . . 1 . H2'' parsed_1lae 1
9 1 1 . . . . . . . . . 2 . H8 parsed_1lae 1
9 1 2 . . . . . . . . . 1 . H6 parsed_1lae 1
10 1 1 . . . . . . . . . 2 . H3' parsed_1lae 1
10 1 2 . . . . . . . . . 2 . H8 parsed_1lae 1
11 1 1 . . . . . . . . . 2 . H4' parsed_1lae 1
11 1 2 . . . . . . . . . 2 . H8 parsed_1lae 1
12 1 1 . . . . . . . . . 2 . H5' parsed_1lae 1
12 1 2 . . . . . . . . . 2 . H8 parsed_1lae 1
13 1 1 . . . . . . . . . 2 . H8 parsed_1lae 1
13 1 2 . . . . . . . . . 2 . H1' parsed_1lae 1
14 1 1 . . . . . . . . . 2 . H8 parsed_1lae 1
14 1 2 . . . . . . . . . 2 . H5'' parsed_1lae 1
15 1 1 . . . . . . . . . 3 . H5 parsed_1lae 1
15 1 2 . . . . . . . . . 2 . H8 parsed_1lae 1
16 1 1 . . . . . . . . . 3 . H5' parsed_1lae 1
16 1 2 . . . . . . . . . 2 . H2'' parsed_1lae 1
17 1 1 . . . . . . . . . 3 . H6 parsed_1lae 1
17 1 2 . . . . . . . . . 2 . H8 parsed_1lae 1
18 1 1 . . . . . . . . . 3 . H2' parsed_1lae 1
18 1 2 . . . . . . . . . 3 . H1' parsed_1lae 1
19 1 1 . . . . . . . . . 3 . H2' parsed_1lae 1
19 1 2 . . . . . . . . . 3 . H5 parsed_1lae 1
20 1 1 . . . . . . . . . 3 . H2'' parsed_1lae 1
20 1 2 . . . . . . . . . 3 . H6 parsed_1lae 1
21 1 1 . . . . . . . . . 3 . H4' parsed_1lae 1
21 1 2 . . . . . . . . . 3 . H2' parsed_1lae 1
22 1 1 . . . . . . . . . 4 . H5'' parsed_1lae 1
22 1 2 . . . . . . . . . 3 . H2'' parsed_1lae 1
23 1 1 . . . . . . . . . 4 . H8 parsed_1lae 1
23 1 2 . . . . . . . . . 3 . H1' parsed_1lae 1
24 1 1 . . . . . . . . . 4 . H8 parsed_1lae 1
24 1 2 . . . . . . . . . 3 . H2' parsed_1lae 1
25 1 1 . . . . . . . . . 4 . H8 parsed_1lae 1
25 1 2 . . . . . . . . . 3 . H2'' parsed_1lae 1
26 1 1 . . . . . . . . . 4 . H8 parsed_1lae 1
26 1 2 . . . . . . . . . 3 . H3' parsed_1lae 1
27 1 1 . . . . . . . . . 4 . H8 parsed_1lae 1
27 1 2 . . . . . . . . . 3 . H6 parsed_1lae 1
28 1 1 . . . . . . . . . 4 . H1' parsed_1lae 1
28 1 2 . . . . . . . . . 4 . H5' parsed_1lae 1
29 1 1 . . . . . . . . . 4 . H3' parsed_1lae 1
29 1 2 . . . . . . . . . 4 . H1' parsed_1lae 1
30 1 1 . . . . . . . . . 4 . H3' parsed_1lae 1
30 1 2 . . . . . . . . . 4 . H5' parsed_1lae 1
31 1 1 . . . . . . . . . 4 . H3' parsed_1lae 1
31 1 2 . . . . . . . . . 4 . H8 parsed_1lae 1
32 1 1 . . . . . . . . . 4 . H2' parsed_1lae 1
32 1 1 . . . . . . . . . 4 . H2'' parsed_1lae 1
32 1 2 . . . . . . . . . 4 . H3' parsed_1lae 1
33 1 1 . . . . . . . . . 4 . H4' parsed_1lae 1
33 1 2 . . . . . . . . . 4 . H1' parsed_1lae 1
34 1 1 . . . . . . . . . 4 . H4' parsed_1lae 1
34 1 2 . . . . . . . . . 4 . H3' parsed_1lae 1
35 1 1 . . . . . . . . . 4 . H4' parsed_1lae 1
35 1 2 . . . . . . . . . 4 . H8 parsed_1lae 1
36 1 1 . . . . . . . . . 4 . H5'' parsed_1lae 1
36 1 2 . . . . . . . . . 4 . H3' parsed_1lae 1
37 1 1 . . . . . . . . . 4 . H5'' parsed_1lae 1
37 1 2 . . . . . . . . . 4 . H8 parsed_1lae 1
38 1 1 . . . . . . . . . 4 . H8 parsed_1lae 1
38 1 2 . . . . . . . . . 4 . H1' parsed_1lae 1
39 1 1 . . . . . . . . . 4 . H8 parsed_1lae 1
39 1 2 . . . . . . . . . 4 . H5' parsed_1lae 1
40 1 1 . . . . . . . . . 4 . H2' parsed_1lae 1
40 1 1 . . . . . . . . . 4 . H2'' parsed_1lae 1
40 1 2 . . . . . . . . . 4 . H1' parsed_1lae 1
41 1 1 . . . . . . . . . 4 . H2' parsed_1lae 1
41 1 1 . . . . . . . . . 4 . H2'' parsed_1lae 1
41 1 2 . . . . . . . . . 4 . H5'' parsed_1lae 1
42 1 1 . . . . . . . . . 4 . H2' parsed_1lae 1
42 1 1 . . . . . . . . . 4 . H2'' parsed_1lae 1
42 1 2 . . . . . . . . . 4 . H8 parsed_1lae 1
43 1 1 . . . . . . . . . 5 . H8 parsed_1lae 1
43 1 2 . . . . . . . . . 4 . H1' parsed_1lae 1
44 1 1 . . . . . . . . . 5 . H8 parsed_1lae 1
44 1 2 . . . . . . . . . 4 . H3' parsed_1lae 1
45 1 1 . . . . . . . . . 5 . H3' parsed_1lae 1
45 1 2 . . . . . . . . . 5 . H1' parsed_1lae 1
46 1 1 . . . . . . . . . 5 . H3' parsed_1lae 1
46 1 2 . . . . . . . . . 5 . H8 parsed_1lae 1
47 1 1 . . . . . . . . . 5 . H4' parsed_1lae 1
47 1 2 . . . . . . . . . 5 . H1' parsed_1lae 1
48 1 1 . . . . . . . . . 5 . H4' parsed_1lae 1
48 1 2 . . . . . . . . . 5 . H8 parsed_1lae 1
49 1 1 . . . . . . . . . 5 . H5'' parsed_1lae 1
49 1 2 . . . . . . . . . 5 . H8 parsed_1lae 1
50 1 1 . . . . . . . . . 5 . H2' parsed_1lae 1
50 1 1 . . . . . . . . . 5 . H2'' parsed_1lae 1
50 1 2 . . . . . . . . . 5 . H1' parsed_1lae 1
51 1 1 . . . . . . . . . 5 . H4' parsed_1lae 1
51 1 2 . . . . . . . . . 6 . H6 parsed_1lae 1
52 1 1 . . . . . . . . . 5 . H4' parsed_1lae 1
52 1 2 . . . . . . . . . 6 . H5# parsed_1lae 1
53 1 1 . . . . . . . . . 5 . H5' parsed_1lae 1
53 1 2 . . . . . . . . . 6 . H5# parsed_1lae 1
54 1 1 . . . . . . . . . 6 . H2' parsed_1lae 1
54 1 2 . . . . . . . . . 5 . H1' parsed_1lae 1
55 1 1 . . . . . . . . . 6 . H1' parsed_1lae 1
55 1 2 . . . . . . . . . 6 . H4' parsed_1lae 1
56 1 1 . . . . . . . . . 6 . H2' parsed_1lae 1
56 1 2 . . . . . . . . . 6 . H1' parsed_1lae 1
57 1 1 . . . . . . . . . 6 . H2' parsed_1lae 1
57 1 2 . . . . . . . . . 6 . H4' parsed_1lae 1
58 1 1 . . . . . . . . . 6 . H2'' parsed_1lae 1
58 1 2 . . . . . . . . . 6 . H1' parsed_1lae 1
59 1 1 . . . . . . . . . 6 . H3' parsed_1lae 1
59 1 2 . . . . . . . . . 6 . H1' parsed_1lae 1
60 1 1 . . . . . . . . . 6 . H3' parsed_1lae 1
60 1 2 . . . . . . . . . 6 . H2'' parsed_1lae 1
61 1 1 . . . . . . . . . 6 . H3' parsed_1lae 1
61 1 2 . . . . . . . . . 6 . H4' parsed_1lae 1
62 1 1 . . . . . . . . . 6 . H5' parsed_1lae 1
62 1 2 . . . . . . . . . 6 . H6 parsed_1lae 1
63 1 1 . . . . . . . . . 6 . H6 parsed_1lae 1
63 1 2 . . . . . . . . . 6 . H1' parsed_1lae 1
64 1 1 . . . . . . . . . 6 . H6 parsed_1lae 1
64 1 2 . . . . . . . . . 6 . H4' parsed_1lae 1
65 1 1 . . . . . . . . . 6 . H5# parsed_1lae 1
65 1 2 . . . . . . . . . 6 . H6 parsed_1lae 1
66 1 1 . . . . . . . . . 7 . H8 parsed_1lae 1
66 1 2 . . . . . . . . . 5 . H1' parsed_1lae 1
67 1 1 . . . . . . . . . 7 . H5' parsed_1lae 1
67 1 2 . . . . . . . . . 6 . H1' parsed_1lae 1
68 1 1 . . . . . . . . . 7 . H8 parsed_1lae 1
68 1 2 . . . . . . . . . 6 . H3' parsed_1lae 1
69 1 1 . . . . . . . . . 7 . H8 parsed_1lae 1
69 1 2 . . . . . . . . . 6 . H4' parsed_1lae 1
70 1 1 . . . . . . . . . 7 . H2' parsed_1lae 1
70 1 2 . . . . . . . . . 7 . H1' parsed_1lae 1
71 1 1 . . . . . . . . . 7 . H3' parsed_1lae 1
71 1 2 . . . . . . . . . 7 . H2' parsed_1lae 1
72 1 1 . . . . . . . . . 7 . H3' parsed_1lae 1
72 1 2 . . . . . . . . . 7 . H2'' parsed_1lae 1
73 1 1 . . . . . . . . . 7 . H3' parsed_1lae 1
73 1 2 . . . . . . . . . 7 . H8 parsed_1lae 1
74 1 1 . . . . . . . . . 7 . H4' parsed_1lae 1
74 1 2 . . . . . . . . . 7 . H2' parsed_1lae 1
75 1 1 . . . . . . . . . 7 . H4' parsed_1lae 1
75 1 2 . . . . . . . . . 7 . H3' parsed_1lae 1
76 1 1 . . . . . . . . . 7 . H4' parsed_1lae 1
76 1 2 . . . . . . . . . 7 . H8 parsed_1lae 1
77 1 1 . . . . . . . . . 7 . H5'' parsed_1lae 1
77 1 2 . . . . . . . . . 7 . H8 parsed_1lae 1
78 1 1 . . . . . . . . . 7 . H8 parsed_1lae 1
78 1 2 . . . . . . . . . 7 . H1' parsed_1lae 1
79 1 1 . . . . . . . . . 8 . H1' parsed_1lae 1
79 1 2 . . . . . . . . . 7 . H6A2 parsed_1lae 1
80 1 1 . . . . . . . . . 8 . H4' parsed_1lae 1
80 1 2 . . . . . . . . . 7 . H1' parsed_1lae 1
81 1 1 . . . . . . . . . 8 . H5' parsed_1lae 1
81 1 2 . . . . . . . . . 7 . H1' parsed_1lae 1
82 1 1 . . . . . . . . . 8 . H5' parsed_1lae 1
82 1 2 . . . . . . . . . 7 . H2'' parsed_1lae 1
83 1 1 . . . . . . . . . 8 . H5# parsed_1lae 1
83 1 2 . . . . . . . . . 7 . H1' parsed_1lae 1
84 1 1 . . . . . . . . . 8 . H5# parsed_1lae 1
84 1 2 . . . . . . . . . 7 . H2' parsed_1lae 1
85 1 1 . . . . . . . . . 8 . H5# parsed_1lae 1
85 1 2 . . . . . . . . . 7 . H2'' parsed_1lae 1
86 1 1 . . . . . . . . . 8 . H5# parsed_1lae 1
86 1 2 . . . . . . . . . 7 . H8 parsed_1lae 1
87 1 1 . . . . . . . . . 8 . H2' parsed_1lae 1
87 1 2 . . . . . . . . . 8 . H1' parsed_1lae 1
88 1 1 . . . . . . . . . 8 . H2' parsed_1lae 1
88 1 2 . . . . . . . . . 8 . H6 parsed_1lae 1
89 1 1 . . . . . . . . . 8 . H2' parsed_1lae 1
89 1 2 . . . . . . . . . 8 . H5# parsed_1lae 1
90 1 1 . . . . . . . . . 8 . H4' parsed_1lae 1
90 1 2 . . . . . . . . . 8 . H1' parsed_1lae 1
91 1 1 . . . . . . . . . 8 . H4' parsed_1lae 1
91 1 2 . . . . . . . . . 8 . H2' parsed_1lae 1
92 1 1 . . . . . . . . . 8 . H4' parsed_1lae 1
92 1 2 . . . . . . . . . 8 . H2'' parsed_1lae 1
93 1 1 . . . . . . . . . 8 . H4' parsed_1lae 1
93 1 2 . . . . . . . . . 8 . H6 parsed_1lae 1
94 1 1 . . . . . . . . . 8 . H6 parsed_1lae 1
94 1 2 . . . . . . . . . 8 . H1' parsed_1lae 1
95 1 1 . . . . . . . . . 8 . H6 parsed_1lae 1
95 1 2 . . . . . . . . . 8 . H5' parsed_1lae 1
96 1 1 . . . . . . . . . 8 . H5# parsed_1lae 1
96 1 2 . . . . . . . . . 8 . H6 parsed_1lae 1
97 1 1 . . . . . . . . . 8 . H4' parsed_1lae 1
97 1 2 . . . . . . . . . 9 . H6 parsed_1lae 1
98 1 1 . . . . . . . . . 9 . H1' parsed_1lae 1
98 1 2 . . . . . . . . . 8 . H5' parsed_1lae 1
99 1 1 . . . . . . . . . 9 . H2' parsed_1lae 1
99 1 2 . . . . . . . . . 9 . H6 parsed_1lae 1
100 1 1 . . . . . . . . . 9 . H2'' parsed_1lae 1
100 1 2 . . . . . . . . . 9 . H6 parsed_1lae 1
101 1 1 . . . . . . . . . 9 . H3' parsed_1lae 1
101 1 2 . . . . . . . . . 9 . H6 parsed_1lae 1
102 1 1 . . . . . . . . . 9 . H4' parsed_1lae 1
102 1 2 . . . . . . . . . 9 . H1' parsed_1lae 1
103 1 1 . . . . . . . . . 9 . H4' parsed_1lae 1
103 1 2 . . . . . . . . . 9 . H2' parsed_1lae 1
104 1 1 . . . . . . . . . 9 . H4' parsed_1lae 1
104 1 2 . . . . . . . . . 9 . H6 parsed_1lae 1
105 1 1 . . . . . . . . . 9 . H5' parsed_1lae 1
105 1 2 . . . . . . . . . 9 . H6 parsed_1lae 1
106 1 1 . . . . . . . . . 9 . H5'' parsed_1lae 1
106 1 2 . . . . . . . . . 9 . H6 parsed_1lae 1
107 1 1 . . . . . . . . . 10 . H5 parsed_1lae 1
107 1 2 . . . . . . . . . 9 . H2'' parsed_1lae 1
108 1 1 . . . . . . . . . 10 . H6 parsed_1lae 1
108 1 2 . . . . . . . . . 9 . H1' parsed_1lae 1
109 1 1 . . . . . . . . . 10 . H6 parsed_1lae 1
109 1 2 . . . . . . . . . 9 . H2'' parsed_1lae 1
110 1 1 . . . . . . . . . 10 . H6 parsed_1lae 1
110 1 2 . . . . . . . . . 9 . H6 parsed_1lae 1
111 1 1 . . . . . . . . . 10 . H5' parsed_1lae 1
111 1 1 . . . . . . . . . 10 . H5'' parsed_1lae 1
111 1 2 . . . . . . . . . 9 . H1' parsed_1lae 1
112 1 1 . . . . . . . . . 10 . H2' parsed_1lae 1
112 1 2 . . . . . . . . . 10 . H1' parsed_1lae 1
113 1 1 . . . . . . . . . 10 . H2' parsed_1lae 1
113 1 2 . . . . . . . . . 10 . H5 parsed_1lae 1
114 1 1 . . . . . . . . . 10 . H2' parsed_1lae 1
114 1 2 . . . . . . . . . 10 . H6 parsed_1lae 1
115 1 1 . . . . . . . . . 10 . H2'' parsed_1lae 1
115 1 2 . . . . . . . . . 10 . H1' parsed_1lae 1
116 1 1 . . . . . . . . . 10 . H3' parsed_1lae 1
116 1 2 . . . . . . . . . 10 . H1' parsed_1lae 1
117 1 1 . . . . . . . . . 10 . H3' parsed_1lae 1
117 1 2 . . . . . . . . . 10 . H2' parsed_1lae 1
118 1 1 . . . . . . . . . 10 . H3' parsed_1lae 1
118 1 2 . . . . . . . . . 10 . H2'' parsed_1lae 1
119 1 1 . . . . . . . . . 10 . H3' parsed_1lae 1
119 1 2 . . . . . . . . . 10 . H6 parsed_1lae 1
120 1 1 . . . . . . . . . 10 . H4' parsed_1lae 1
120 1 2 . . . . . . . . . 10 . H2' parsed_1lae 1
121 1 1 . . . . . . . . . 10 . H4' parsed_1lae 1
121 1 2 . . . . . . . . . 10 . H6 parsed_1lae 1
122 1 1 . . . . . . . . . 10 . H6 parsed_1lae 1
122 1 2 . . . . . . . . . 10 . H1' parsed_1lae 1
123 1 1 . . . . . . . . . 10 . H5' parsed_1lae 1
123 1 1 . . . . . . . . . 10 . H5'' parsed_1lae 1
123 1 2 . . . . . . . . . 10 . H2'' parsed_1lae 1
124 1 1 . . . . . . . . . 10 . H5' parsed_1lae 1
124 1 1 . . . . . . . . . 10 . H5'' parsed_1lae 1
124 1 2 . . . . . . . . . 10 . H6 parsed_1lae 1
125 1 1 . . . . . . . . . 11 . H8 parsed_1lae 1
125 1 2 . . . . . . . . . 10 . H1' parsed_1lae 1
126 1 1 . . . . . . . . . 11 . H8 parsed_1lae 1
126 1 2 . . . . . . . . . 10 . H2' parsed_1lae 1
127 1 1 . . . . . . . . . 11 . H8 parsed_1lae 1
127 1 2 . . . . . . . . . 10 . H2'' parsed_1lae 1
128 1 1 . . . . . . . . . 11 . H8 parsed_1lae 1
128 1 2 . . . . . . . . . 10 . H6 parsed_1lae 1
129 1 1 . . . . . . . . . 11 . H3' parsed_1lae 1
129 1 2 . . . . . . . . . 11 . H8 parsed_1lae 1
130 1 1 . . . . . . . . . 11 . H4' parsed_1lae 1
130 1 2 . . . . . . . . . 11 . H8 parsed_1lae 1
131 1 1 . . . . . . . . . 11 . H8 parsed_1lae 1
131 1 2 . . . . . . . . . 11 . H1' parsed_1lae 1
132 1 1 . . . . . . . . . 12 . H5 parsed_1lae 1
132 1 2 . . . . . . . . . 11 . H8 parsed_1lae 1
133 1 1 . . . . . . . . . 12 . H6 parsed_1lae 1
133 1 2 . . . . . . . . . 11 . H8 parsed_1lae 1
134 1 1 . . . . . . . . . 12 . H2' parsed_1lae 1
134 1 2 . . . . . . . . . 12 . H1' parsed_1lae 1
135 1 1 . . . . . . . . . 12 . H2' parsed_1lae 1
135 1 2 . . . . . . . . . 12 . H5 parsed_1lae 1
136 1 1 . . . . . . . . . 12 . H3' parsed_1lae 1
136 1 2 . . . . . . . . . 12 . H2'' parsed_1lae 1
137 1 1 . . . . . . . . . 12 . H4' parsed_1lae 1
137 1 2 . . . . . . . . . 12 . H2' parsed_1lae 1
138 1 1 . . . . . . . . . 12 . H6 parsed_1lae 1
138 1 2 . . . . . . . . . 12 . H5' parsed_1lae 1
139 1 1 . . . . . . . . . 13 . H8 parsed_1lae 1
139 1 2 . . . . . . . . . 12 . H1' parsed_1lae 1
140 1 1 . . . . . . . . . 13 . H8 parsed_1lae 1
140 1 2 . . . . . . . . . 12 . H2' parsed_1lae 1
141 1 1 . . . . . . . . . 13 . H2' parsed_1lae 1
141 1 2 . . . . . . . . . 13 . H1' parsed_1lae 1
142 1 1 . . . . . . . . . 13 . H3' parsed_1lae 1
142 1 2 . . . . . . . . . 13 . H8 parsed_1lae 1
143 1 1 . . . . . . . . . 13 . H4' parsed_1lae 1
143 1 2 . . . . . . . . . 13 . H1' parsed_1lae 1
144 1 1 . . . . . . . . . 13 . H8 parsed_1lae 1
144 1 2 . . . . . . . . . 13 . H1' parsed_1lae 1
145 1 1 . . . . . . . . . 8 . H1' parsed_1lae 1
145 1 2 . . . . . . . . . 9 . H6 parsed_1lae 1
146 1 1 . . . . . . . . . 8 . H2' parsed_1lae 1
146 1 2 . . . . . . . . . 9 . H6 parsed_1lae 1
147 1 1 . . . . . . . . . 8 . H2'' parsed_1lae 1
147 1 2 . . . . . . . . . 9 . H6 parsed_1lae 1
148 1 1 . . . . . . . . . 8 . H3' parsed_1lae 1
148 1 2 . . . . . . . . . 9 . H6 parsed_1lae 1
149 1 1 . . . . . . . . . 8 . H1' parsed_1lae 1
149 1 2 . . . . . . . . . 9 . H5 parsed_1lae 1
150 1 1 . . . . . . . . . 8 . H2' parsed_1lae 1
150 1 2 . . . . . . . . . 9 . H5 parsed_1lae 1
151 1 1 . . . . . . . . . 8 . H2'' parsed_1lae 1
151 1 2 . . . . . . . . . 9 . H5 parsed_1lae 1
152 1 1 . . . . . . . . . 5 . H1' parsed_1lae 1
152 1 2 . . . . . . . . . 6 . H5' parsed_1lae 1
153 1 1 . . . . . . . . . 5 . H2' parsed_1lae 1
153 1 1 . . . . . . . . . 5 . H2'' parsed_1lae 1
153 1 2 . . . . . . . . . 6 . H5# parsed_1lae 1
154 1 1 . . . . . . . . . 5 . H1' parsed_1lae 1
154 1 2 . . . . . . . . . 6 . H5# parsed_1lae 1
155 1 1 . . . . . . . . . 5 . H1' parsed_1lae 1
155 1 2 . . . . . . . . . 7 . H5' parsed_1lae 1
156 1 1 . . . . . . . . . 5 . H1' parsed_1lae 1
156 1 2 . . . . . . . . . 7 . H3' parsed_1lae 1
157 1 1 . . . . . . . . . 5 . H1' parsed_1lae 1
157 1 2 . . . . . . . . . 7 . H2' parsed_1lae 1
158 1 1 . . . . . . . . . 5 . H8 parsed_1lae 1
158 1 2 . . . . . . . . . 7 . H3' parsed_1lae 1
159 1 1 . . . . . . . . . 5 . H8 parsed_1lae 1
159 1 2 . . . . . . . . . 6 . H3' parsed_1lae 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 . . . . . 3.91 3.08 4.74 parsed_1lae 1
2 1 . . . . . 2.00 2.00 2.32 parsed_1lae 1
3 1 . . . . . 4.33 3.42 5.20 parsed_1lae 1
4 1 . . . . . 4.00 3.50 4.50 parsed_1lae 1
5 1 . . . . . 3.65 2.05 5.20 parsed_1lae 1
6 1 . . . . . 5.54 3.50 5.21 parsed_1lae 1
7 1 . . . . . 3.17 3.00 3.85 parsed_1lae 1
8 1 . . . . . 3.00 2.30 3.30 parsed_1lae 1
9 1 . . . . . 4.50 4.00 5.40 parsed_1lae 1
10 1 . . . . . 4.99 3.94 5.20 parsed_1lae 1
11 1 . . . . . 4.80 4.50 5.10 parsed_1lae 1
12 1 . . . . . 5.00 4.70 5.30 parsed_1lae 1
13 1 . . . . . 4.89 3.64 5.20 parsed_1lae 1
14 1 . . . . . 4.76 3.75 5.20 parsed_1lae 1
15 1 . . . . . 4.36 3.56 4.66 parsed_1lae 1
16 1 . . . . . 3.32 3.02 3.62 parsed_1lae 1
17 1 . . . . . 5.17 4.51 5.41 parsed_1lae 1
18 1 . . . . . 2.84 2.54 3.14 parsed_1lae 1
19 1 . . . . . 4.14 3.45 4.84 parsed_1lae 1
20 1 . . . . . 3.55 3.25 3.85 parsed_1lae 1
21 1 . . . . . 3.82 3.52 4.12 parsed_1lae 1
22 1 . . . . . 4.09 3.67 4.81 parsed_1lae 1
23 1 . . . . . 3.92 3.60 4.21 parsed_1lae 1
24 1 . . . . . 3.12 2.82 3.92 parsed_1lae 1
25 1 . . . . . 3.04 2.34 3.34 parsed_1lae 1
26 1 . . . . . 4.91 4.35 5.20 parsed_1lae 1
27 1 . . . . . 4.99 4.65 5.50 parsed_1lae 1
28 1 . . . . . 4.80 4.50 5.10 parsed_1lae 1
29 1 . . . . . 4.13 3.91 4.36 parsed_1lae 1
30 1 . . . . . 3.10 2.80 4.20 parsed_1lae 1
31 1 . . . . . 4.30 4.00 4.60 parsed_1lae 1
32 1 . . . . . 2.31 2.01 2.61 parsed_1lae 1
33 1 . . . . . 3.23 2.93 3.53 parsed_1lae 1
34 1 . . . . . 2.83 2.53 3.13 parsed_1lae 1
35 1 . . . . . 4.80 4.50 5.10 parsed_1lae 1
36 1 . . . . . 2.50 2.20 2.80 parsed_1lae 1
37 1 . . . . . 4.80 4.30 5.30 parsed_1lae 1
38 1 . . . . . 3.92 3.62 4.22 parsed_1lae 1
39 1 . . . . . 4.82 4.47 5.17 parsed_1lae 1
40 1 . . . . . 2.50 2.20 2.80 parsed_1lae 1
41 1 . . . . . 5.24 4.07 6.41 parsed_1lae 1
42 1 . . . . . 2.84 2.54 3.14 parsed_1lae 1
43 1 . . . . . 4.16 3.85 4.47 parsed_1lae 1
44 1 . . . . . 4.60 4.30 4.90 parsed_1lae 1
45 1 . . . . . 3.89 3.42 4.20 parsed_1lae 1
46 1 . . . . . 4.79 3.98 5.20 parsed_1lae 1
47 1 . . . . . 3.06 2.76 3.36 parsed_1lae 1
48 1 . . . . . 4.80 4.50 5.10 parsed_1lae 1
49 1 . . . . . 5.04 4.32 5.20 parsed_1lae 1
50 1 . . . . . 2.37 2.07 2.67 parsed_1lae 1
51 1 . . . . . 4.49 4.19 4.79 parsed_1lae 1
52 1 . . . . . 3.91 3.31 4.51 parsed_1lae 1
53 1 . . . . . 4.50 3.70 5.30 parsed_1lae 1
54 1 . . . . . 3.63 3.33 3.93 parsed_1lae 1
55 1 . . . . . 3.64 3.34 3.94 parsed_1lae 1
56 1 . . . . . 3.19 2.89 3.49 parsed_1lae 1
57 1 . . . . . 4.35 3.94 4.76 parsed_1lae 1
58 1 . . . . . 2.56 2.26 2.86 parsed_1lae 1
59 1 . . . . . 4.33 3.83 4.83 parsed_1lae 1
60 1 . . . . . 2.81 2.51 3.11 parsed_1lae 1
61 1 . . . . . 2.77 2.47 3.07 parsed_1lae 1
62 1 . . . . . 5.45 4.00 5.20 parsed_1lae 1
63 1 . . . . . 3.42 3.12 3.72 parsed_1lae 1
64 1 . . . . . 4.78 4.48 5.08 parsed_1lae 1
65 1 . . . . . 2.61 2.31 2.91 parsed_1lae 1
66 1 . . . . . 3.77 3.47 4.07 parsed_1lae 1
67 1 . . . . . 4.31 3.94 4.68 parsed_1lae 1
68 1 . . . . . 3.22 2.92 3.52 parsed_1lae 1
69 1 . . . . . 4.38 4.08 4.68 parsed_1lae 1
70 1 . . . . . 2.71 1.99 3.42 parsed_1lae 1
71 1 . . . . . 2.25 1.90 2.60 parsed_1lae 1
72 1 . . . . . 2.69 2.36 3.02 parsed_1lae 1
73 1 . . . . . 5.20 4.60 5.20 parsed_1lae 1
74 1 . . . . . 4.17 3.38 4.96 parsed_1lae 1
75 1 . . . . . 3.59 2.57 4.11 parsed_1lae 1
76 1 . . . . . 4.90 4.56 5.20 parsed_1lae 1
77 1 . . . . . 4.84 4.01 5.20 parsed_1lae 1
78 1 . . . . . 3.29 2.98 3.90 parsed_1lae 1
79 1 . . . . . 4.00 3.50 4.50 parsed_1lae 1
80 1 . . . . . 4.90 4.52 5.20 parsed_1lae 1
81 1 . . . . . 2.96 2.60 3.33 parsed_1lae 1
82 1 . . . . . 2.90 2.24 3.56 parsed_1lae 1
83 1 . . . . . 5.88 4.58 5.20 parsed_1lae 1
84 1 . . . . . 3.67 3.29 4.05 parsed_1lae 1
85 1 . . . . . 3.02 2.64 3.70 parsed_1lae 1
86 1 . . . . . 5.24 4.22 5.20 parsed_1lae 1
87 1 . . . . . 2.83 2.53 3.13 parsed_1lae 1
88 1 . . . . . 2.35 2.05 2.65 parsed_1lae 1
89 1 . . . . . 5.39 4.18 5.20 parsed_1lae 1
90 1 . . . . . 3.09 2.79 3.39 parsed_1lae 1
91 1 . . . . . 4.00 3.54 4.46 parsed_1lae 1
92 1 . . . . . 3.50 3.11 3.89 parsed_1lae 1
93 1 . . . . . 4.45 3.62 5.20 parsed_1lae 1
94 1 . . . . . 4.56 3.24 5.20 parsed_1lae 1
95 1 . . . . . 2.99 2.58 3.40 parsed_1lae 1
96 1 . . . . . 2.61 2.31 2.91 parsed_1lae 1
97 1 . . . . . 3.30 3.00 3.60 parsed_1lae 1
98 1 . . . . . 2.69 2.40 3.48 parsed_1lae 1
99 1 . . . . . 2.31 2.01 2.61 parsed_1lae 1
100 1 . . . . . 3.25 2.95 3.85 parsed_1lae 1
101 1 . . . . . 4.00 3.70 4.30 parsed_1lae 1
102 1 . . . . . 3.12 2.82 3.42 parsed_1lae 1
103 1 . . . . . 3.46 3.16 3.76 parsed_1lae 1
104 1 . . . . . 4.80 4.50 5.10 parsed_1lae 1
105 1 . . . . . 4.50 4.00 5.00 parsed_1lae 1
106 1 . . . . . 2.85 2.55 3.15 parsed_1lae 1
107 1 . . . . . 3.28 2.98 3.58 parsed_1lae 1
108 1 . . . . . 3.74 3.44 4.04 parsed_1lae 1
109 1 . . . . . 2.79 2.49 3.09 parsed_1lae 1
110 1 . . . . . 6.33 4.34 5.40 parsed_1lae 1
111 1 . . . . . 5.14 4.84 5.44 parsed_1lae 1
112 1 . . . . . 2.95 2.65 3.25 parsed_1lae 1
113 1 . . . . . 5.09 3.47 5.20 parsed_1lae 1
114 1 . . . . . 2.32 2.02 2.62 parsed_1lae 1
115 1 . . . . . 2.19 1.89 2.49 parsed_1lae 1
116 1 . . . . . 4.18 3.84 4.52 parsed_1lae 1
117 1 . . . . . 2.34 2.04 2.64 parsed_1lae 1
118 1 . . . . . 2.73 2.43 3.03 parsed_1lae 1
119 1 . . . . . 3.67 3.37 3.97 parsed_1lae 1
120 1 . . . . . 3.56 3.26 3.86 parsed_1lae 1
121 1 . . . . . 4.54 4.24 4.84 parsed_1lae 1
122 1 . . . . . 3.41 3.11 3.71 parsed_1lae 1
123 1 . . . . . 4.44 3.40 5.48 parsed_1lae 1
124 1 . . . . . 5.15 4.76 5.54 parsed_1lae 1
125 1 . . . . . 4.03 3.73 4.33 parsed_1lae 1
126 1 . . . . . 3.57 3.27 3.87 parsed_1lae 1
127 1 . . . . . 2.60 2.30 2.90 parsed_1lae 1
128 1 . . . . . 4.90 4.60 5.40 parsed_1lae 1
129 1 . . . . . 4.79 3.92 5.20 parsed_1lae 1
130 1 . . . . . 4.50 4.00 5.00 parsed_1lae 1
131 1 . . . . . 3.89 3.25 4.20 parsed_1lae 1
132 1 . . . . . 4.14 3.84 4.44 parsed_1lae 1
133 1 . . . . . 4.82 4.44 5.40 parsed_1lae 1
134 1 . . . . . 3.33 2.97 3.70 parsed_1lae 1
135 1 . . . . . 4.18 3.75 4.61 parsed_1lae 1
136 1 . . . . . 2.84 2.54 3.14 parsed_1lae 1
137 1 . . . . . 4.04 3.70 4.38 parsed_1lae 1
138 1 . . . . . 4.70 4.08 5.20 parsed_1lae 1
139 1 . . . . . 4.92 4.67 5.17 parsed_1lae 1
140 1 . . . . . 3.38 3.08 4.18 parsed_1lae 1
141 1 . . . . . 3.20 2.90 3.50 parsed_1lae 1
142 1 . . . . . 4.50 4.20 4.80 parsed_1lae 1
143 1 . . . . . 3.46 3.16 3.76 parsed_1lae 1
144 1 . . . . . 4.86 3.56 5.20 parsed_1lae 1
145 1 . . . . . 5.00 5.00 15.00 parsed_1lae 1
146 1 . . . . . 5.00 5.00 15.00 parsed_1lae 1
147 1 . . . . . 5.00 5.00 15.00 parsed_1lae 1
148 1 . . . . . 5.00 5.00 15.00 parsed_1lae 1
149 1 . . . . . 5.00 5.00 15.00 parsed_1lae 1
150 1 . . . . . 5.00 5.00 15.00 parsed_1lae 1
151 1 . . . . . 5.00 5.00 15.00 parsed_1lae 1
152 1 . . . . . 5.00 5.00 15.00 parsed_1lae 1
153 1 . . . . . 5.00 5.00 15.00 parsed_1lae 1
154 1 . . . . . 5.00 5.00 15.00 parsed_1lae 1
155 1 . . . . . 5.00 5.00 15.00 parsed_1lae 1
156 1 . . . . . 5.00 5.00 15.00 parsed_1lae 1
157 1 . . . . . 5.00 5.00 15.00 parsed_1lae 1
158 1 . . . . . 5.00 5.00 15.00 parsed_1lae 1
159 1 . . . . . 5.00 5.00 15.00 parsed_1lae 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 "Class 1 Distance Restraints" 1 1 1 30 parsed_1lae 1
2 man 7 81 7 86 parsed_1lae 1
3 lb-1.0 9 81 9 90 parsed_1lae 1
4 ub+0.5 10 81 10 90 parsed_1lae 1
5 lb-0.5 11 81 11 90 parsed_1lae 1
6 man 12 81 12 86 parsed_1lae 1
7 man 14 81 14 87 parsed_1lae 1
8 man 15 81 15 88 parsed_1lae 1
9 lb-0.5 16 81 16 90 parsed_1lae 1
10 lb-0.5 18 81 18 90 parsed_1lae 1
11 "assign ( resid 3 and name H2'' )( resid 3 and name H5 ) 6.45 0.69 0.69 ! sd" 23 1 23 88 parsed_1lae 1
12 ub+0.3 26 81 26 90 parsed_1lae 1
13 -1 27 81 27 86 parsed_1lae 1
14 ub+0.5 28 81 28 90 parsed_1lae 1
15 lb-0.5 29 81 29 90 parsed_1lae 1
16 man 32 81 32 87 parsed_1lae 1
17 ub+0.8 34 81 34 90 parsed_1lae 1
18 man 40 81 40 87 parsed_1lae 1
19 man 42 81 42 88 parsed_1lae 1
20 man 52 81 52 88 parsed_1lae 1
21 -1 53 81 53 85 parsed_1lae 1
22 man 56 81 56 87 parsed_1lae 1
23 man 62 81 62 88 parsed_1lae 1
24 -1 68 81 68 86 parsed_1lae 1
25 -0.6 70 81 70 87 parsed_1lae 1
26 "assign ( resid 7 and name H8 )( resid 6 and name H1' ) 6.41 0.32 0.32 ! sd" 77 1 77 87 parsed_1lae 1
27 lb-0.5 85 81 85 90 parsed_1lae 1
28
;
ub+0.3
assign ( resid 7 and name H4' )( resid 8 and name H5# ) 7.35 0.48 0.47 ! sd
;
88 81 89 88 parsed_1lae 1
29 "! man***" 90 81 90 92 parsed_1lae 1
30 +1 92 81 92 86 parsed_1lae 1
31
;
+1
assign ( resid 8 and name H6 )( resid 7 and name H8 ) 4.60 0.60 0.60 ! man
;
93 81 94 89 parsed_1lae 1
32 ub+0.3 97 81 97 90 parsed_1lae 1
33 lb-0.5 98 81 98 90 parsed_1lae 1
34 ub+0.5 110 81 110 90 parsed_1lae 1
35 +0.5 112 81 112 88 parsed_1lae 1
36 man 113 81 113 86 parsed_1lae 1
37 man 116 81 116 86 parsed_1lae 1
38 man 117 81 117 86 parsed_1lae 1
39 +0.5 134 81 134 88 parsed_1lae 1
40 -0.5 142 81 142 88 parsed_1lae 1
41 man 145 81 145 88 parsed_1lae 1
42 -1 146 81 146 86 parsed_1lae 1
43 ub+0.50 155 81 155 92 parsed_1lae 1
44 man 157 81 157 88 parsed_1lae 1
45
;
lb-0.5
negative restraints
;
159 81 160 22 parsed_1lae 1
46 "assign ( resid 5 and name H1' )( resid 6 and name H1' ) 6.00 0.00 10.00" 168 1 168 84 parsed_1lae 1
47
;
assign (( resid 5 and name H2' ) or ( resid 5 and name H2'' ))
( resid 6 and name H6 ) 5.00 0.00 10.00
;
170 1 171 83 parsed_1lae 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lae
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1lae 2
2 1 . . . parsed_1lae 2
3 1 . . . parsed_1lae 2
4 1 . . . parsed_1lae 2
5 1 . . . parsed_1lae 2
6 1 . . . parsed_1lae 2
7 1 . . . parsed_1lae 2
8 1 . . . parsed_1lae 2
9 1 . . . parsed_1lae 2
10 1 . . . parsed_1lae 2
11 1 . . . parsed_1lae 2
12 1 . . . parsed_1lae 2
13 1 . . . parsed_1lae 2
14 1 . . . parsed_1lae 2
15 1 . . . parsed_1lae 2
16 1 . . . parsed_1lae 2
17 1 . . . parsed_1lae 2
18 1 . . . parsed_1lae 2
19 1 . . . parsed_1lae 2
20 1 . . . parsed_1lae 2
21 1 . . . parsed_1lae 2
22 1 . . . parsed_1lae 2
23 1 . . . parsed_1lae 2
24 1 . . . parsed_1lae 2
25 1 . . . parsed_1lae 2
26 1 . . . parsed_1lae 2
27 1 . . . parsed_1lae 2
28 1 . . . parsed_1lae 2
29 1 . . . parsed_1lae 2
30 1 . . . parsed_1lae 2
31 1 . . . parsed_1lae 2
32 1 . . . parsed_1lae 2
33 1 . . . parsed_1lae 2
34 1 . . . parsed_1lae 2
35 1 . . . parsed_1lae 2
36 1 . . . parsed_1lae 2
37 1 . . . parsed_1lae 2
38 1 . . . parsed_1lae 2
39 1 . . . parsed_1lae 2
40 1 . . . parsed_1lae 2
41 1 . . . parsed_1lae 2
42 1 . . . parsed_1lae 2
43 1 . . . parsed_1lae 2
44 1 . . . parsed_1lae 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 1 . H2'' parsed_1lae 2
1 1 2 . . . . . . . . . 1 . H1' parsed_1lae 2
2 1 1 . . . . . . . . . 1 . H2'' parsed_1lae 2
2 1 2 . . . . . . . . . 1 . H6 parsed_1lae 2
3 1 1 . . . . . . . . . 1 . H4' parsed_1lae 2
3 1 2 . . . . . . . . . 1 . H1' parsed_1lae 2
4 1 1 . . . . . . . . . 1 . H6 parsed_1lae 2
4 1 2 . . . . . . . . . 1 . H1' parsed_1lae 2
5 1 1 . . . . . . . . . 2 . H3' parsed_1lae 2
5 1 2 . . . . . . . . . 2 . H1' parsed_1lae 2
6 1 1 . . . . . . . . . 2 . H3' parsed_1lae 2
6 1 2 . . . . . . . . . 2 . H5'' parsed_1lae 2
7 1 1 . . . . . . . . . 2 . H4' parsed_1lae 2
7 1 2 . . . . . . . . . 2 . H2' parsed_1lae 2
8 1 1 . . . . . . . . . 2 . H4' parsed_1lae 2
8 1 2 . . . . . . . . . 2 . H2'' parsed_1lae 2
9 1 1 . . . . . . . . . 3 . H5 parsed_1lae 2
9 1 2 . . . . . . . . . 2 . H2' parsed_1lae 2
10 1 1 . . . . . . . . . 3 . H5 parsed_1lae 2
10 1 2 . . . . . . . . . 2 . H2'' parsed_1lae 2
11 1 1 . . . . . . . . . 3 . H6 parsed_1lae 2
11 1 2 . . . . . . . . . 2 . H3' parsed_1lae 2
12 1 1 . . . . . . . . . 3 . H2' parsed_1lae 2
12 1 2 . . . . . . . . . 3 . H6 parsed_1lae 2
13 1 1 . . . . . . . . . 4 . H2' parsed_1lae 2
13 1 1 . . . . . . . . . 4 . H2'' parsed_1lae 2
13 1 2 . . . . . . . . . 4 . H4' parsed_1lae 2
14 1 1 . . . . . . . . . 5 . H2' parsed_1lae 2
14 1 1 . . . . . . . . . 5 . H2'' parsed_1lae 2
14 1 2 . . . . . . . . . 5 . H3' parsed_1lae 2
15 1 1 . . . . . . . . . 5 . H2' parsed_1lae 2
15 1 1 . . . . . . . . . 5 . H2'' parsed_1lae 2
15 1 2 . . . . . . . . . 5 . H4' parsed_1lae 2
16 1 1 . . . . . . . . . 5 . H8 parsed_1lae 2
16 1 2 . . . . . . . . . 5 . H1' parsed_1lae 2
17 1 1 . . . . . . . . . 6 . H6 parsed_1lae 2
17 1 2 . . . . . . . . . 5 . H1' parsed_1lae 2
18 1 1 . . . . . . . . . 6 . H2' parsed_1lae 2
18 1 2 . . . . . . . . . 6 . H6 parsed_1lae 2
19 1 1 . . . . . . . . . 6 . H3' parsed_1lae 2
19 1 2 . . . . . . . . . 6 . H6 parsed_1lae 2
20 1 1 . . . . . . . . . 6 . H5'' parsed_1lae 2
20 1 2 . . . . . . . . . 6 . H6 parsed_1lae 2
21 1 1 . . . . . . . . . 6 . H5'' parsed_1lae 2
21 1 2 . . . . . . . . . 7 . H8 parsed_1lae 2
22 1 1 . . . . . . . . . 7 . H8 parsed_1lae 2
22 1 2 . . . . . . . . . 6 . H2' parsed_1lae 2
23 1 1 . . . . . . . . . 7 . H2' parsed_1lae 2
23 1 2 . . . . . . . . . 7 . H8 parsed_1lae 2
24 1 1 . . . . . . . . . 7 . H2'' parsed_1lae 2
24 1 2 . . . . . . . . . 7 . H8 parsed_1lae 2
25 1 1 . . . . . . . . . 7 . H3' parsed_1lae 2
25 1 2 . . . . . . . . . 7 . H5' parsed_1lae 2
26 1 1 . . . . . . . . . 7 . H4' parsed_1lae 2
26 1 2 . . . . . . . . . 7 . H2'' parsed_1lae 2
27 1 1 . . . . . . . . . 7 . H5'' parsed_1lae 2
27 1 2 . . . . . . . . . 7 . H3' parsed_1lae 2
28 1 1 . . . . . . . . . 9 . H2' parsed_1lae 2
28 1 2 . . . . . . . . . 9 . H1' parsed_1lae 2
29 1 1 . . . . . . . . . 9 . H2'' parsed_1lae 2
29 1 2 . . . . . . . . . 9 . H1' parsed_1lae 2
30 1 1 . . . . . . . . . 10 . H5 parsed_1lae 2
30 1 2 . . . . . . . . . 9 . H6 parsed_1lae 2
31 1 1 . . . . . . . . . 10 . H6 parsed_1lae 2
31 1 2 . . . . . . . . . 9 . H2' parsed_1lae 2
32 1 1 . . . . . . . . . 10 . H2'' parsed_1lae 2
32 1 2 . . . . . . . . . 10 . H6 parsed_1lae 2
33 1 1 . . . . . . . . . 10 . H4' parsed_1lae 2
33 1 2 . . . . . . . . . 10 . H1' parsed_1lae 2
34 1 1 . . . . . . . . . 10 . H4' parsed_1lae 2
34 1 2 . . . . . . . . . 10 . H2'' parsed_1lae 2
35 1 1 . . . . . . . . . 11 . H8 parsed_1lae 2
35 1 2 . . . . . . . . . 10 . H3' parsed_1lae 2
36 1 1 . . . . . . . . . 11 . H3' parsed_1lae 2
36 1 2 . . . . . . . . . 11 . H1' parsed_1lae 2
37 1 1 . . . . . . . . . 11 . H4' parsed_1lae 2
37 1 2 . . . . . . . . . 11 . H2' parsed_1lae 2
38 1 1 . . . . . . . . . 11 . H4' parsed_1lae 2
38 1 2 . . . . . . . . . 11 . H2'' parsed_1lae 2
39 1 1 . . . . . . . . . 12 . H5 parsed_1lae 2
39 1 2 . . . . . . . . . 11 . H2' parsed_1lae 2
40 1 1 . . . . . . . . . 12 . H5 parsed_1lae 2
40 1 2 . . . . . . . . . 11 . H2'' parsed_1lae 2
41 1 1 . . . . . . . . . 12 . H6 parsed_1lae 2
41 1 2 . . . . . . . . . 11 . H3' parsed_1lae 2
42 1 1 . . . . . . . . . 12 . H2' parsed_1lae 2
42 1 2 . . . . . . . . . 12 . H6 parsed_1lae 2
43 1 1 . . . . . . . . . 12 . H2'' parsed_1lae 2
43 1 2 . . . . . . . . . 12 . H1' parsed_1lae 2
44 1 1 . . . . . . . . . 13 . H8 parsed_1lae 2
44 1 2 . . . . . . . . . 12 . H3' parsed_1lae 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.28 1.98 2.58 parsed_1lae 2
2 1 . . . . . 3.10 1.74 4.45 parsed_1lae 2
3 1 . . . . . 2.92 2.62 3.72 parsed_1lae 2
4 1 . . . . . 2.72 2.26 4.18 parsed_1lae 2
5 1 . . . . . 4.48 3.71 5.20 parsed_1lae 2
6 1 . . . . . 2.79 2.39 3.19 parsed_1lae 2
7 1 . . . . . 4.30 3.62 4.98 parsed_1lae 2
8 1 . . . . . 3.85 3.49 4.21 parsed_1lae 2
9 1 . . . . . 3.27 2.98 3.56 parsed_1lae 2
10 1 . . . . . 2.95 2.65 3.25 parsed_1lae 2
11 1 . . . . . 4.80 4.50 5.10 parsed_1lae 2
12 1 . . . . . 2.35 2.05 2.65 parsed_1lae 2
13 1 . . . . . 3.46 3.16 3.76 parsed_1lae 2
14 1 . . . . . 2.26 1.96 2.56 parsed_1lae 2
15 1 . . . . . 3.58 3.28 3.88 parsed_1lae 2
16 1 . . . . . 4.20 3.51 4.89 parsed_1lae 2
17 1 . . . . . 5.43 4.07 5.20 parsed_1lae 2
18 1 . . . . . 2.47 2.27 2.77 parsed_1lae 2
19 1 . . . . . 3.96 3.34 4.21 parsed_1lae 2
20 1 . . . . . 3.77 3.16 4.38 parsed_1lae 2
21 1 . . . . . 3.47 3.17 3.77 parsed_1lae 2
22 1 . . . . . 3.70 3.40 4.00 parsed_1lae 2
23 1 . . . . . 2.32 2.00 2.64 parsed_1lae 2
24 1 . . . . . 3.20 2.70 3.90 parsed_1lae 2
25 1 . . . . . 3.77 3.31 4.23 parsed_1lae 2
26 1 . . . . . 3.89 3.58 4.20 parsed_1lae 2
27 1 . . . . . 2.90 2.60 3.20 parsed_1lae 2
28 1 . . . . . 2.75 2.45 3.05 parsed_1lae 2
29 1 . . . . . 2.30 2.00 2.60 parsed_1lae 2
30 1 . . . . . 4.33 3.97 4.69 parsed_1lae 2
31 1 . . . . . 3.71 3.41 4.01 parsed_1lae 2
32 1 . . . . . 2.96 2.74 4.18 parsed_1lae 2
33 1 . . . . . 2.66 2.36 3.96 parsed_1lae 2
34 1 . . . . . 3.73 3.28 4.18 parsed_1lae 2
35 1 . . . . . 4.50 4.20 4.80 parsed_1lae 2
36 1 . . . . . 4.08 3.48 4.68 parsed_1lae 2
37 1 . . . . . 3.46 3.16 3.76 parsed_1lae 2
38 1 . . . . . 3.65 3.35 3.95 parsed_1lae 2
39 1 . . . . . 3.35 3.05 3.65 parsed_1lae 2
40 1 . . . . . 3.04 2.74 3.34 parsed_1lae 2
41 1 . . . . . 4.80 4.50 5.10 parsed_1lae 2
42 1 . . . . . 2.44 2.14 2.74 parsed_1lae 2
43 1 . . . . . 2.33 2.03 2.63 parsed_1lae 2
44 1 . . . . . 4.50 4.25 4.75 parsed_1lae 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 "Class 2 Distance Restraints" 1 1 1 30 parsed_1lae 2
2 ub+0.5 5 81 5 90 parsed_1lae 2
3 ub+1 6 81 6 88 parsed_1lae 2
4 man 13 81 13 88 parsed_1lae 2
5 -1 24 81 24 86 parsed_1lae 2
6 ub+0.2 29 81 29 90 parsed_1lae 2
7 +0.5 31 81 31 88 parsed_1lae 2
8 +0.5 36 81 36 88 parsed_1lae 2
9 ub+1.0 37 81 37 90 parsed_1lae 2
10 ub+1.0 38 81 38 90 parsed_1lae 2
11 man 46 81 46 87 parsed_1lae 2
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lae
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_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_1lae 3
2 1 . . . parsed_1lae 3
3 1 . . . parsed_1lae 3
4 1 . . . parsed_1lae 3
5 1 . . . parsed_1lae 3
6 1 . . . parsed_1lae 3
7 1 . . . parsed_1lae 3
8 1 . . . parsed_1lae 3
9 1 . . . parsed_1lae 3
10 1 . . . parsed_1lae 3
11 1 . . . parsed_1lae 3
12 1 . . . parsed_1lae 3
13 1 . . . parsed_1lae 3
14 1 . . . parsed_1lae 3
15 1 . . . parsed_1lae 3
16 1 . . . parsed_1lae 3
17 1 . . . parsed_1lae 3
18 1 . . . parsed_1lae 3
19 1 . . . parsed_1lae 3
20 1 . . . parsed_1lae 3
21 1 . . . parsed_1lae 3
22 1 . . . parsed_1lae 3
23 1 . . . parsed_1lae 3
24 1 . . . parsed_1lae 3
25 1 . . . parsed_1lae 3
26 1 . . . parsed_1lae 3
27 1 . . . parsed_1lae 3
28 1 . . . parsed_1lae 3
29 1 . . . parsed_1lae 3
30 1 . . . parsed_1lae 3
31 1 . . . parsed_1lae 3
32 1 . . . parsed_1lae 3
33 1 . . . parsed_1lae 3
34 1 . . . parsed_1lae 3
35 1 . . . parsed_1lae 3
36 1 . . . parsed_1lae 3
37 1 . . . parsed_1lae 3
38 1 . . . parsed_1lae 3
39 1 . . . parsed_1lae 3
40 1 . . . parsed_1lae 3
41 1 . . . parsed_1lae 3
42 1 . . . parsed_1lae 3
43 1 . . . parsed_1lae 3
44 1 . . . parsed_1lae 3
45 1 . . . parsed_1lae 3
46 1 . . . parsed_1lae 3
47 1 . . . parsed_1lae 3
48 1 . . . parsed_1lae 3
49 1 . . . parsed_1lae 3
50 1 . . . parsed_1lae 3
51 1 . . . parsed_1lae 3
52 1 . . . parsed_1lae 3
53 1 . . . parsed_1lae 3
54 1 . . . parsed_1lae 3
55 1 . . . parsed_1lae 3
56 1 . . . parsed_1lae 3
57 1 . . . parsed_1lae 3
58 1 . . . parsed_1lae 3
59 1 . . . parsed_1lae 3
60 1 . . . parsed_1lae 3
61 1 . . . parsed_1lae 3
62 1 . . . parsed_1lae 3
63 1 . . . parsed_1lae 3
64 1 . . . parsed_1lae 3
65 1 . . . parsed_1lae 3
66 1 . . . parsed_1lae 3
67 1 . . . parsed_1lae 3
68 1 . . . parsed_1lae 3
69 1 . . . parsed_1lae 3
70 1 . . . parsed_1lae 3
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 1 . H4' parsed_1lae 3
1 1 2 . . . . . . . . . 1 . H6 parsed_1lae 3
2 1 1 . . . . . . . . . 2 . H5'' parsed_1lae 3
2 1 2 . . . . . . . . . 1 . H1' parsed_1lae 3
3 1 1 . . . . . . . . . 2 . H2' parsed_1lae 3
3 1 2 . . . . . . . . . 2 . H1' parsed_1lae 3
4 1 1 . . . . . . . . . 2 . H2' parsed_1lae 3
4 1 2 . . . . . . . . . 2 . H8 parsed_1lae 3
5 1 1 . . . . . . . . . 2 . H2'' parsed_1lae 3
5 1 2 . . . . . . . . . 2 . H1' parsed_1lae 3
6 1 1 . . . . . . . . . 2 . H2'' parsed_1lae 3
6 1 2 . . . . . . . . . 2 . H8 parsed_1lae 3
7 1 1 . . . . . . . . . 3 . H5'' parsed_1lae 3
7 1 2 . . . . . . . . . 2 . H1' parsed_1lae 3
8 1 1 . . . . . . . . . 3 . H6 parsed_1lae 3
8 1 2 . . . . . . . . . 2 . H1' parsed_1lae 3
9 1 1 . . . . . . . . . 3 . H6 parsed_1lae 3
9 1 2 . . . . . . . . . 2 . H2' parsed_1lae 3
10 1 1 . . . . . . . . . 3 . H6 parsed_1lae 3
10 1 2 . . . . . . . . . 2 . H2'' parsed_1lae 3
11 1 1 . . . . . . . . . 3 . H2'' parsed_1lae 3
11 1 2 . . . . . . . . . 3 . H1' parsed_1lae 3
12 1 1 . . . . . . . . . 3 . H3' parsed_1lae 3
12 1 2 . . . . . . . . . 3 . H1' parsed_1lae 3
13 1 1 . . . . . . . . . 3 . H3' parsed_1lae 3
13 1 2 . . . . . . . . . 3 . H2' parsed_1lae 3
14 1 1 . . . . . . . . . 3 . H3' parsed_1lae 3
14 1 2 . . . . . . . . . 3 . H6 parsed_1lae 3
15 1 1 . . . . . . . . . 3 . H4' parsed_1lae 3
15 1 2 . . . . . . . . . 3 . H1' parsed_1lae 3
16 1 1 . . . . . . . . . 3 . H4' parsed_1lae 3
16 1 2 . . . . . . . . . 3 . H2'' parsed_1lae 3
17 1 1 . . . . . . . . . 3 . H4' parsed_1lae 3
17 1 2 . . . . . . . . . 3 . H6 parsed_1lae 3
18 1 1 . . . . . . . . . 3 . H6 parsed_1lae 3
18 1 2 . . . . . . . . . 3 . H1' parsed_1lae 3
19 1 1 . . . . . . . . . 3 . H6 parsed_1lae 3
19 1 2 . . . . . . . . . 3 . H5' parsed_1lae 3
20 1 1 . . . . . . . . . 3 . H6 parsed_1lae 3
20 1 2 . . . . . . . . . 3 . H5'' parsed_1lae 3
21 1 1 . . . . . . . . . 4 . H5' parsed_1lae 3
21 1 2 . . . . . . . . . 3 . H1' parsed_1lae 3
22 1 1 . . . . . . . . . 4 . H5'' parsed_1lae 3
22 1 2 . . . . . . . . . 4 . H1' parsed_1lae 3
23 1 1 . . . . . . . . . 4 . H2' parsed_1lae 3
23 1 1 . . . . . . . . . 4 . H2'' parsed_1lae 3
23 1 2 . . . . . . . . . 5 . H8 parsed_1lae 3
24 1 1 . . . . . . . . . 5 . H2' parsed_1lae 3
24 1 1 . . . . . . . . . 5 . H2'' parsed_1lae 3
24 1 2 . . . . . . . . . 5 . H8 parsed_1lae 3
25 1 1 . . . . . . . . . 5 . H2' parsed_1lae 3
25 1 1 . . . . . . . . . 5 . H2'' parsed_1lae 3
25 1 2 . . . . . . . . . 6 . H4' parsed_1lae 3
26 1 1 . . . . . . . . . 5 . H2' parsed_1lae 3
26 1 1 . . . . . . . . . 5 . H2'' parsed_1lae 3
26 1 2 . . . . . . . . . 6 . H5'' parsed_1lae 3
27 1 1 . . . . . . . . . 6 . H2'' parsed_1lae 3
27 1 2 . . . . . . . . . 6 . H4' parsed_1lae 3
28 1 1 . . . . . . . . . 6 . H2'' parsed_1lae 3
28 1 2 . . . . . . . . . 6 . H6 parsed_1lae 3
29 1 1 . . . . . . . . . 7 . H8 parsed_1lae 3
29 1 2 . . . . . . . . . 6 . H2'' parsed_1lae 3
30 1 1 . . . . . . . . . 7 . H2'' parsed_1lae 3
30 1 2 . . . . . . . . . 7 . H1' parsed_1lae 3
31 1 1 . . . . . . . . . 7 . H8 parsed_1lae 3
31 1 2 . . . . . . . . . 7 . H5' parsed_1lae 3
32 1 1 . . . . . . . . . 8 . H5'' parsed_1lae 3
32 1 2 . . . . . . . . . 7 . H1' parsed_1lae 3
33 1 1 . . . . . . . . . 8 . H6 parsed_1lae 3
33 1 2 . . . . . . . . . 7 . H1' parsed_1lae 3
34 1 1 . . . . . . . . . 8 . H6 parsed_1lae 3
34 1 2 . . . . . . . . . 7 . H2'' parsed_1lae 3
35 1 1 . . . . . . . . . 8 . H2'' parsed_1lae 3
35 1 2 . . . . . . . . . 8 . H1' parsed_1lae 3
36 1 1 . . . . . . . . . 8 . H2'' parsed_1lae 3
36 1 2 . . . . . . . . . 8 . H6 parsed_1lae 3
37 1 1 . . . . . . . . . 8 . H6 parsed_1lae 3
37 1 2 . . . . . . . . . 8 . H5'' parsed_1lae 3
38 1 1 . . . . . . . . . 8 . H4' parsed_1lae 3
38 1 2 . . . . . . . . . 9 . H1' parsed_1lae 3
39 1 1 . . . . . . . . . 8 . H4' parsed_1lae 3
39 1 2 . . . . . . . . . 9 . H5 parsed_1lae 3
40 1 1 . . . . . . . . . 9 . H1' parsed_1lae 3
40 1 2 . . . . . . . . . 8 . H5' parsed_1lae 3
41 1 1 . . . . . . . . . 9 . H2' parsed_1lae 3
41 1 2 . . . . . . . . . 9 . H5 parsed_1lae 3
42 1 1 . . . . . . . . . 9 . H3' parsed_1lae 3
42 1 2 . . . . . . . . . 9 . H2'' parsed_1lae 3
43 1 1 . . . . . . . . . 9 . H4' parsed_1lae 3
43 1 2 . . . . . . . . . 9 . H2'' parsed_1lae 3
44 1 1 . . . . . . . . . 9 . H5'' parsed_1lae 3
44 1 2 . . . . . . . . . 9 . H5 parsed_1lae 3
45 1 1 . . . . . . . . . 10 . H2'' parsed_1lae 3
45 1 2 . . . . . . . . . 10 . H5 parsed_1lae 3
46 1 1 . . . . . . . . . 11 . H5'' parsed_1lae 3
46 1 2 . . . . . . . . . 10 . H1' parsed_1lae 3
47 1 1 . . . . . . . . . 11 . H2' parsed_1lae 3
47 1 2 . . . . . . . . . 11 . H1' parsed_1lae 3
48 1 1 . . . . . . . . . 11 . H2' parsed_1lae 3
48 1 2 . . . . . . . . . 11 . H8 parsed_1lae 3
49 1 1 . . . . . . . . . 11 . H2'' parsed_1lae 3
49 1 2 . . . . . . . . . 11 . H1' parsed_1lae 3
50 1 1 . . . . . . . . . 11 . H2'' parsed_1lae 3
50 1 2 . . . . . . . . . 11 . H8 parsed_1lae 3
51 1 1 . . . . . . . . . 11 . H4' parsed_1lae 3
51 1 2 . . . . . . . . . 11 . H1' parsed_1lae 3
52 1 1 . . . . . . . . . 11 . H5' parsed_1lae 3
52 1 2 . . . . . . . . . 11 . H8 parsed_1lae 3
53 1 1 . . . . . . . . . 11 . H8 parsed_1lae 3
53 1 2 . . . . . . . . . 11 . H5'' parsed_1lae 3
54 1 1 . . . . . . . . . 12 . H5'' parsed_1lae 3
54 1 2 . . . . . . . . . 11 . H1' parsed_1lae 3
55 1 1 . . . . . . . . . 12 . H6 parsed_1lae 3
55 1 2 . . . . . . . . . 11 . H1' parsed_1lae 3
56 1 1 . . . . . . . . . 12 . H6 parsed_1lae 3
56 1 2 . . . . . . . . . 11 . H2' parsed_1lae 3
57 1 1 . . . . . . . . . 12 . H6 parsed_1lae 3
57 1 2 . . . . . . . . . 11 . H2'' parsed_1lae 3
58 1 1 . . . . . . . . . 12 . H2'' parsed_1lae 3
58 1 2 . . . . . . . . . 12 . H6 parsed_1lae 3
59 1 1 . . . . . . . . . 12 . H3' parsed_1lae 3
59 1 2 . . . . . . . . . 12 . H1' parsed_1lae 3
60 1 1 . . . . . . . . . 12 . H3' parsed_1lae 3
60 1 2 . . . . . . . . . 12 . H2' parsed_1lae 3
61 1 1 . . . . . . . . . 12 . H3' parsed_1lae 3
61 1 2 . . . . . . . . . 12 . H6 parsed_1lae 3
62 1 1 . . . . . . . . . 12 . H4' parsed_1lae 3
62 1 2 . . . . . . . . . 12 . H1' parsed_1lae 3
63 1 1 . . . . . . . . . 12 . H6 parsed_1lae 3
63 1 2 . . . . . . . . . 12 . H1' parsed_1lae 3
64 1 1 . . . . . . . . . 13 . H2' parsed_1lae 3
64 1 2 . . . . . . . . . 13 . H8 parsed_1lae 3
65 1 1 . . . . . . . . . 13 . H2'' parsed_1lae 3
65 1 2 . . . . . . . . . 13 . H1' parsed_1lae 3
66 1 1 . . . . . . . . . 13 . H3' parsed_1lae 3
66 1 2 . . . . . . . . . 13 . H2' parsed_1lae 3
67 1 1 . . . . . . . . . 13 . H3' parsed_1lae 3
67 1 2 . . . . . . . . . 13 . H2'' parsed_1lae 3
68 1 1 . . . . . . . . . 13 . H4' parsed_1lae 3
68 1 2 . . . . . . . . . 13 . H2' parsed_1lae 3
69 1 1 . . . . . . . . . 13 . H4' parsed_1lae 3
69 1 2 . . . . . . . . . 13 . H2'' parsed_1lae 3
70 1 1 . . . . . . . . . 13 . H4' parsed_1lae 3
70 1 2 . . . . . . . . . 13 . H3' parsed_1lae 3
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 5.20 4.60 5.20 parsed_1lae 3
2 1 . . . . . 3.96 2.99 4.93 parsed_1lae 3
3 1 . . . . . 2.80 2.59 3.01 parsed_1lae 3
4 1 . . . . . 2.421 2.121 2.721 parsed_1lae 3
5 1 . . . . . 2.30 2.00 2.60 parsed_1lae 3
6 1 . . . . . 3.53 3.23 3.83 parsed_1lae 3
7 1 . . . . . 3.71 3.25 4.67 parsed_1lae 3
8 1 . . . . . 3.26 2.96 3.56 parsed_1lae 3
9 1 . . . . . 3.00 2.70 4.00 parsed_1lae 3
10 1 . . . . . 2.66 2.16 2.96 parsed_1lae 3
11 1 . . . . . 2.29 1.99 2.59 parsed_1lae 3
12 1 . . . . . 4.02 3.58 4.45 parsed_1lae 3
13 1 . . . . . 2.38 2.08 2.68 parsed_1lae 3
14 1 . . . . . 3.46 3.16 3.76 parsed_1lae 3
15 1 . . . . . 2.79 2.49 4.09 parsed_1lae 3
16 1 . . . . . 3.69 3.39 3.99 parsed_1lae 3
17 1 . . . . . 4.84 4.47 5.20 parsed_1lae 3
18 1 . . . . . 3.63 3.33 3.93 parsed_1lae 3
19 1 . . . . . 3.94 3.64 4.24 parsed_1lae 3
20 1 . . . . . 4.35 3.91 4.78 parsed_1lae 3
21 1 . . . . . 4.04 3.37 4.71 parsed_1lae 3
22 1 . . . . . 4.85 4.55 5.15 parsed_1lae 3
23 1 . . . . . 3.78 3.48 4.08 parsed_1lae 3
24 1 . . . . . 2.77 2.47 3.07 parsed_1lae 3
25 1 . . . . . 5.38 5.00 5.76 parsed_1lae 3
26 1 . . . . . 4.00 3.60 4.40 parsed_1lae 3
27 1 . . . . . 4.30 3.93 4.68 parsed_1lae 3
28 1 . . . . . 3.53 3.23 3.93 parsed_1lae 3
29 1 . . . . . 3.44 3.14 3.74 parsed_1lae 3
30 1 . . . . . 1.93 1.61 2.25 parsed_1lae 3
31 1 . . . . . 5.00 3.77 5.20 parsed_1lae 3
32 1 . . . . . 3.92 2.89 5.20 parsed_1lae 3
33 1 . . . . . 3.93 2.84 5.02 parsed_1lae 3
34 1 . . . . . 2.30 1.94 2.67 parsed_1lae 3
35 1 . . . . . 2.26 1.96 2.56 parsed_1lae 3
36 1 . . . . . 2.72 2.06 3.88 parsed_1lae 3
37 1 . . . . . 4.69 3.96 5.00 parsed_1lae 3
38 1 . . . . . 3.62 3.29 3.95 parsed_1lae 3
39 1 . . . . . 3.63 3.33 4.23 parsed_1lae 3
40 1 . . . . . 3.58 3.05 4.12 parsed_1lae 3
41 1 . . . . . 4.24 2.92 5.20 parsed_1lae 3
42 1 . . . . . 3.44 2.54 3.84 parsed_1lae 3
43 1 . . . . . 3.61 3.31 3.91 parsed_1lae 3
44 1 . . . . . 4.51 4.02 5.00 parsed_1lae 3
45 1 . . . . . 5.59 4.76 5.20 parsed_1lae 3
46 1 . . . . . 4.50 3.80 5.20 parsed_1lae 3
47 1 . . . . . 2.40 2.10 3.20 parsed_1lae 3
48 1 . . . . . 2.47 2.17 2.77 parsed_1lae 3
49 1 . . . . . 2.24 1.94 2.54 parsed_1lae 3
50 1 . . . . . 3.71 3.41 4.01 parsed_1lae 3
51 1 . . . . . 3.09 2.79 3.39 parsed_1lae 3
52 1 . . . . . 4.98 3.89 5.20 parsed_1lae 3
53 1 . . . . . 4.16 3.81 4.51 parsed_1lae 3
54 1 . . . . . 4.15 3.07 5.20 parsed_1lae 3
55 1 . . . . . 3.52 3.22 3.82 parsed_1lae 3
56 1 . . . . . 3.75 3.45 4.05 parsed_1lae 3
57 1 . . . . . 2.64 2.34 2.94 parsed_1lae 3
58 1 . . . . . 2.72 2.42 3.52 parsed_1lae 3
59 1 . . . . . 3.83 3.53 4.13 parsed_1lae 3
60 1 . . . . . 2.43 2.13 2.73 parsed_1lae 3
61 1 . . . . . 3.42 3.12 3.72 parsed_1lae 3
62 1 . . . . . 2.77 2.47 4.07 parsed_1lae 3
63 1 . . . . . 3.74 3.44 4.04 parsed_1lae 3
64 1 . . . . . 2.37 2.27 2.67 parsed_1lae 3
65 1 . . . . . 2.40 2.10 2.70 parsed_1lae 3
66 1 . . . . . 2.48 2.18 2.78 parsed_1lae 3
67 1 . . . . . 2.64 2.34 2.94 parsed_1lae 3
68 1 . . . . . 4.05 3.36 4.75 parsed_1lae 3
69 1 . . . . . 3.78 3.48 4.08 parsed_1lae 3
70 1 . . . . . 2.72 2.00 3.45 parsed_1lae 3
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "Class 3 Distance Restraints" 1 1 1 30 parsed_1lae 3
2 +0.4 5 81 5 88 parsed_1lae 3
3 +.8 8 81 8 87 parsed_1lae 3
4 ub+0.5 9 81 9 90 parsed_1lae 3
5 ub+0.5 11 81 11 90 parsed_1lae 3
6 lb-0.2 12 81 12 90 parsed_1lae 3
7 ub+1.0 17 81 17 90 parsed_1lae 3
8 +0.6 18 81 18 88 parsed_1lae 3
9 +1.5 24 81 24 88 parsed_1lae 3
10 +1 34 81 34 86 parsed_1lae 3
11 +0.5 35 81 35 88 parsed_1lae 3
12 ub+0.5 42 81 42 90 parsed_1lae 3
13 ub+0.3 45 81 45 90 parsed_1lae 3
14 "assign ( resid 9 and name H2'' )( resid 9 and name H5 ) 4.02 0.44 0.44" 48 1 48 84 parsed_1lae 3
15 lb-0.5 49 81 49 91 parsed_1lae 3
16 man 53 81 53 87 parsed_1lae 3
17 ub+0.5 54 81 54 90 parsed_1lae 3
18 +1 57 81 57 86 parsed_1lae 3
19 1.0 63 81 63 86 parsed_1lae 3
20 ub+0.5 65 81 65 90 parsed_1lae 3
21 ub+1.0 69 81 69 90 parsed_1lae 3
22 -0.5 73 81 73 88 parsed_1lae 3
23 -0.8 74 81 74 87 parsed_1lae 3
24 +0.5 76 81 76 88 parsed_1lae 3
25 -1.5 77 81 77 88 parsed_1lae 3
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lae
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1lae 4
2 1 . . . parsed_1lae 4
3 1 . . . parsed_1lae 4
4 1 . . . parsed_1lae 4
5 1 . . . parsed_1lae 4
6 1 . . . parsed_1lae 4
7 1 . . . parsed_1lae 4
8 1 . . . parsed_1lae 4
9 1 . . . parsed_1lae 4
10 1 . . . parsed_1lae 4
11 1 . . . parsed_1lae 4
12 1 . . . parsed_1lae 4
13 1 . . . parsed_1lae 4
14 1 . . . parsed_1lae 4
15 1 . . . parsed_1lae 4
16 1 . . . parsed_1lae 4
17 1 . . . parsed_1lae 4
18 1 . . . parsed_1lae 4
19 1 . . . parsed_1lae 4
20 1 . . . parsed_1lae 4
21 1 . . . parsed_1lae 4
22 1 . . . parsed_1lae 4
23 1 . . . parsed_1lae 4
24 1 . . . parsed_1lae 4
25 1 . . . parsed_1lae 4
26 1 . . . parsed_1lae 4
27 1 . . . parsed_1lae 4
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 2 . H4' parsed_1lae 4
1 1 2 . . . . . . . . . 2 . H1' parsed_1lae 4
2 1 1 . . . . . . . . . 2 . H4' parsed_1lae 4
2 1 2 . . . . . . . . . 2 . H3' parsed_1lae 4
3 1 1 . . . . . . . . . 3 . H5' parsed_1lae 4
3 1 2 . . . . . . . . . 2 . H1' parsed_1lae 4
4 1 1 . . . . . . . . . 3 . H3' parsed_1lae 4
4 1 2 . . . . . . . . . 3 . H2'' parsed_1lae 4
5 1 1 . . . . . . . . . 5 . H5' parsed_1lae 4
5 1 2 . . . . . . . . . 4 . H1' parsed_1lae 4
6 1 1 . . . . . . . . . 5 . H8 parsed_1lae 4
6 1 2 . . . . . . . . . 5 . H5' parsed_1lae 4
7 1 1 . . . . . . . . . 6 . H3' parsed_1lae 4
7 1 2 . . . . . . . . . 6 . H2' parsed_1lae 4
8 1 1 . . . . . . . . . 7 . H3' parsed_1lae 4
8 1 2 . . . . . . . . . 7 . H1' parsed_1lae 4
9 1 1 . . . . . . . . . 7 . H4' parsed_1lae 4
9 1 2 . . . . . . . . . 7 . H1' parsed_1lae 4
10 1 1 . . . . . . . . . 9 . H3' parsed_1lae 4
10 1 2 . . . . . . . . . 9 . H2' parsed_1lae 4
11 1 1 . . . . . . . . . 9 . H4' parsed_1lae 4
11 1 2 . . . . . . . . . 9 . H3' parsed_1lae 4
12 1 1 . . . . . . . . . 9 . H5' parsed_1lae 4
12 1 2 . . . . . . . . . 9 . H3' parsed_1lae 4
13 1 1 . . . . . . . . . 9 . H5'' parsed_1lae 4
13 1 2 . . . . . . . . . 9 . H3' parsed_1lae 4
14 1 1 . . . . . . . . . 9 . H6 parsed_1lae 4
14 1 2 . . . . . . . . . 9 . H1' parsed_1lae 4
15 1 1 . . . . . . . . . 10 . H5 parsed_1lae 4
15 1 2 . . . . . . . . . 9 . H2' parsed_1lae 4
16 1 1 . . . . . . . . . 10 . H4' parsed_1lae 4
16 1 2 . . . . . . . . . 10 . H3' parsed_1lae 4
17 1 1 . . . . . . . . . 10 . H5' parsed_1lae 4
17 1 1 . . . . . . . . . 10 . H5'' parsed_1lae 4
17 1 2 . . . . . . . . . 10 . H1' parsed_1lae 4
18 1 1 . . . . . . . . . 10 . H5' parsed_1lae 4
18 1 1 . . . . . . . . . 10 . H5'' parsed_1lae 4
18 1 2 . . . . . . . . . 10 . H3' parsed_1lae 4
19 1 1 . . . . . . . . . 12 . H5' parsed_1lae 4
19 1 2 . . . . . . . . . 11 . H1' parsed_1lae 4
20 1 1 . . . . . . . . . 12 . H4' parsed_1lae 4
20 1 2 . . . . . . . . . 12 . H2'' parsed_1lae 4
21 1 1 . . . . . . . . . 12 . H4' parsed_1lae 4
21 1 2 . . . . . . . . . 12 . H6 parsed_1lae 4
22 1 1 . . . . . . . . . 12 . H6 parsed_1lae 4
22 1 2 . . . . . . . . . 12 . H5'' parsed_1lae 4
23 1 1 . . . . . . . . . 13 . H8 parsed_1lae 4
23 1 2 . . . . . . . . . 12 . H2'' parsed_1lae 4
24 1 1 . . . . . . . . . 13 . H2'' parsed_1lae 4
24 1 2 . . . . . . . . . 13 . H8 parsed_1lae 4
25 1 1 . . . . . . . . . 13 . H5' parsed_1lae 4
25 1 1 . . . . . . . . . 13 . H5'' parsed_1lae 4
25 1 2 . . . . . . . . . 13 . H3' parsed_1lae 4
26 1 1 . . . . . . . . . 3 . H5'' parsed_1lae 4
26 1 2 . . . . . . . . . 2 . H2'' parsed_1lae 4
27 1 1 . . . . . . . . . 12 . H5'' parsed_1lae 4
27 1 2 . . . . . . . . . 11 . H2'' parsed_1lae 4
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.77 2.47 3.77 parsed_1lae 4
2 1 . . . . . 2.33 2.03 2.93 parsed_1lae 4
3 1 . . . . . 2.93 2.63 3.23 parsed_1lae 4
4 1 . . . . . 2.74 2.44 3.04 parsed_1lae 4
5 1 . . . . . 4.86 3.76 5.20 parsed_1lae 4
6 1 . . . . . 4.60 4.07 5.13 parsed_1lae 4
7 1 . . . . . 2.45 2.15 2.75 parsed_1lae 4
8 1 . . . . . 4.71 3.59 5.20 parsed_1lae 4
9 1 . . . . . 2.88 2.58 3.68 parsed_1lae 4
10 1 . . . . . 2.83 2.23 3.13 parsed_1lae 4
11 1 . . . . . 2.62 1.40 3.20 parsed_1lae 4
12 1 . . . . . 3.06 2.46 3.86 parsed_1lae 4
13 1 . . . . . 3.46 2.58 3.85 parsed_1lae 4
14 1 . . . . . 3.42 3.08 3.76 parsed_1lae 4
15 1 . . . . . 3.09 2.79 3.39 parsed_1lae 4
16 1 . . . . . 2.37 2.07 2.97 parsed_1lae 4
17 1 . . . . . 4.71 3.73 5.70 parsed_1lae 4
18 1 . . . . . 3.08 2.78 3.38 parsed_1lae 4
19 1 . . . . . 3.00 2.70 3.30 parsed_1lae 4
20 1 . . . . . 3.33 2.96 4.19 parsed_1lae 4
21 1 . . . . . 3.93 3.34 5.02 parsed_1lae 4
22 1 . . . . . 5.17 3.63 5.21 parsed_1lae 4
23 1 . . . . . 3.29 2.09 3.59 parsed_1lae 4
24 1 . . . . . 3.10 2.77 3.93 parsed_1lae 4
25 1 . . . . . 3.62 2.34 4.40 parsed_1lae 4
26 1 . . . . . 4.10 3.43 4.77 parsed_1lae 4
27 1 . . . . . 3.95 3.30 4.60 parsed_1lae 4
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "Class 4 Distance Restraints" 1 1 1 30 parsed_1lae 4
2 ub+0.7 3 81 3 90 parsed_1lae 4
3 ub+0.3 4 81 4 89 parsed_1lae 4
4 lb-0.5 10 81 10 90 parsed_1lae 4
5 ub+0.5 11 81 11 90 parsed_1lae 4
6 lb-0.6 12 81 12 90 parsed_1lae 4
7 -2 13 81 13 86 parsed_1lae 4
8 ub+0.5 14 81 14 90 parsed_1lae 4
9 lb-0.5 15 81 15 89 parsed_1lae 4
10 ub+0.3 18 81 18 90 parsed_1lae 4
11 ub+0.5 24 81 24 90 parsed_1lae 4
12 ub+0.5 25 81 25 90 parsed_1lae 4
13 lb-1.0 27 81 27 90 parsed_1lae 4
14
;
lb-0.5
assign ( resid 3 and name H5'' )( resid 2 and name H2' ) 4.42 1.30 0.78
;
30 81 31 84 parsed_1lae 4
15 "assign ( resid 12 and name H5'' )( resid 11 and name H2' ) 4.35 1.18 0.85" 33 1 33 84 parsed_1lae 4
stop_
save_
save_CNS/XPLOR_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lae
_Distance_constraint_list.ID 5
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
_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_1lae 5
2 1 . . . parsed_1lae 5
3 1 . . . parsed_1lae 5
4 1 . . . parsed_1lae 5
5 1 . . . parsed_1lae 5
6 1 . . . parsed_1lae 5
7 1 . . . parsed_1lae 5
8 1 . . . parsed_1lae 5
9 1 . . . parsed_1lae 5
10 1 . . . parsed_1lae 5
11 1 . . . parsed_1lae 5
12 1 . . . parsed_1lae 5
13 1 . . . parsed_1lae 5
14 1 . . . parsed_1lae 5
15 1 . . . parsed_1lae 5
16 1 . . . parsed_1lae 5
17 1 . . . parsed_1lae 5
18 1 . . . parsed_1lae 5
19 1 . . . parsed_1lae 5
20 1 . . . parsed_1lae 5
21 1 . . . parsed_1lae 5
22 1 . . . parsed_1lae 5
23 1 . . . parsed_1lae 5
24 1 . . . parsed_1lae 5
25 1 . . . parsed_1lae 5
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 1 . n4 parsed_1lae 5
1 1 2 . . . . . . . . . 13 . o6 parsed_1lae 5
2 1 1 . . . . . . . . . 1 . n3 parsed_1lae 5
2 1 2 . . . . . . . . . 13 . n1 parsed_1lae 5
3 1 1 . . . . . . . . . 1 . o2 parsed_1lae 5
3 1 2 . . . . . . . . . 13 . n2 parsed_1lae 5
4 1 1 . . . . . . . . . 1 . n3 parsed_1lae 5
4 1 2 . . . . . . . . . 13 . n2 parsed_1lae 5
5 1 1 . . . . . . . . . 1 . o2 parsed_1lae 5
5 1 2 . . . . . . . . . 13 . o6 parsed_1lae 5
6 1 1 . . . . . . . . . 2 . o6 parsed_1lae 5
6 1 2 . . . . . . . . . 12 . n4 parsed_1lae 5
7 1 1 . . . . . . . . . 2 . n1 parsed_1lae 5
7 1 2 . . . . . . . . . 12 . n3 parsed_1lae 5
8 1 1 . . . . . . . . . 2 . n2 parsed_1lae 5
8 1 2 . . . . . . . . . 12 . o2 parsed_1lae 5
9 1 1 . . . . . . . . . 2 . n2 parsed_1lae 5
9 1 2 . . . . . . . . . 12 . n3 parsed_1lae 5
10 1 1 . . . . . . . . . 2 . o6 parsed_1lae 5
10 1 2 . . . . . . . . . 12 . o2 parsed_1lae 5
11 1 1 . . . . . . . . . 3 . n4 parsed_1lae 5
11 1 2 . . . . . . . . . 11 . o6 parsed_1lae 5
12 1 1 . . . . . . . . . 3 . n3 parsed_1lae 5
12 1 2 . . . . . . . . . 11 . n1 parsed_1lae 5
13 1 1 . . . . . . . . . 3 . o2 parsed_1lae 5
13 1 2 . . . . . . . . . 11 . n2 parsed_1lae 5
14 1 1 . . . . . . . . . 3 . n3 parsed_1lae 5
14 1 2 . . . . . . . . . 11 . n2 parsed_1lae 5
15 1 1 . . . . . . . . . 3 . o2 parsed_1lae 5
15 1 2 . . . . . . . . . 11 . o6 parsed_1lae 5
16 1 1 . . . . . . . . . 4 . o6 parsed_1lae 5
16 1 2 . . . . . . . . . 10 . n4 parsed_1lae 5
17 1 1 . . . . . . . . . 4 . n1 parsed_1lae 5
17 1 2 . . . . . . . . . 10 . n3 parsed_1lae 5
18 1 1 . . . . . . . . . 4 . n2 parsed_1lae 5
18 1 2 . . . . . . . . . 10 . o2 parsed_1lae 5
19 1 1 . . . . . . . . . 4 . n2 parsed_1lae 5
19 1 2 . . . . . . . . . 10 . n3 parsed_1lae 5
20 1 1 . . . . . . . . . 4 . o6 parsed_1lae 5
20 1 2 . . . . . . . . . 10 . o2 parsed_1lae 5
21 1 1 . . . . . . . . . 5 . o6 parsed_1lae 5
21 1 2 . . . . . . . . . 9 . n4 parsed_1lae 5
22 1 1 . . . . . . . . . 5 . n1 parsed_1lae 5
22 1 2 . . . . . . . . . 9 . n3 parsed_1lae 5
23 1 1 . . . . . . . . . 5 . n2 parsed_1lae 5
23 1 2 . . . . . . . . . 9 . o2 parsed_1lae 5
24 1 1 . . . . . . . . . 5 . n2 parsed_1lae 5
24 1 2 . . . . . . . . . 9 . n3 parsed_1lae 5
25 1 1 . . . . . . . . . 5 . o6 parsed_1lae 5
25 1 2 . . . . . . . . . 9 . o2 parsed_1lae 5
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.91 2.86 2.96 parsed_1lae 5
2 1 . . . . . 2.95 2.90 3.00 parsed_1lae 5
3 1 . . . . . 2.86 2.81 2.91 parsed_1lae 5
4 1 . . . . . 3.65 3.60 3.70 parsed_1lae 5
5 1 . . . . . 5.42 5.37 5.47 parsed_1lae 5
6 1 . . . . . 2.91 2.86 2.96 parsed_1lae 5
7 1 . . . . . 2.95 2.90 3.00 parsed_1lae 5
8 1 . . . . . 2.86 2.81 2.91 parsed_1lae 5
9 1 . . . . . 3.65 3.60 3.70 parsed_1lae 5
10 1 . . . . . 5.42 5.37 5.47 parsed_1lae 5
11 1 . . . . . 2.91 2.86 2.96 parsed_1lae 5
12 1 . . . . . 2.95 2.90 3.00 parsed_1lae 5
13 1 . . . . . 2.86 2.81 2.91 parsed_1lae 5
14 1 . . . . . 3.65 3.60 3.70 parsed_1lae 5
15 1 . . . . . 5.42 5.37 5.47 parsed_1lae 5
16 1 . . . . . 2.91 2.86 2.96 parsed_1lae 5
17 1 . . . . . 2.95 2.90 3.00 parsed_1lae 5
18 1 . . . . . 2.86 2.81 2.91 parsed_1lae 5
19 1 . . . . . 3.65 3.60 3.70 parsed_1lae 5
20 1 . . . . . 5.42 5.37 5.47 parsed_1lae 5
21 1 . . . . . 2.91 2.81 3.01 parsed_1lae 5
22 1 . . . . . 2.95 2.85 3.05 parsed_1lae 5
23 1 . . . . . 2.86 2.76 2.96 parsed_1lae 5
24 1 . . . . . 3.65 3.55 3.75 parsed_1lae 5
25 1 . . . . . 5.42 5.32 5.52 parsed_1lae 5
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "Base Pairing Distance Restraints" 1 1 1 35 parsed_1lae 5
stop_
save_
save_MR_file_comment_7
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1lae
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 7
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! Gamma and Epsilon Backbone Dihedral Angle Restraints
set message=off echo=off end
;
save_
save_CNS/XPLOR_dihedral_8
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1lae
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.0 -152.0 . . 1 . C4' . 1 . C3' . 1 . O3' . 2 . P parsed_1lae 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.0 -161.0 . . 2 . C4' . 2 . C3' . 2 . O3' . 3 . P parsed_1lae 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.0 -153.0 . . 3 . C4' . 3 . C3' . 3 . O3' . 4 . P parsed_1lae 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.5 -154.5 . . 4 . C4' . 4 . C3' . 4 . O3' . 5 . P parsed_1lae 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.5 -150.5 . . 5 . C4' . 5 . C3' . 5 . O3' . 6 . P parsed_1lae 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.0 -146.0 . . 6 . C4' . 6 . C3' . 6 . O3' . 7 . P parsed_1lae 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.5 -156.5 . . 7 . C4' . 7 . C3' . 7 . O3' . 8 . P parsed_1lae 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.5 -142.5 . . 8 . C4' . 8 . C3' . 8 . O3' . 9 . P parsed_1lae 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -156.0 . . 9 . C4' . 9 . C3' . 9 . O3' . 10 . P parsed_1lae 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.0 -153.0 . . 10 . C4' . 10 . C3' . 10 . O3' . 11 . P parsed_1lae 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.5 -159.5 . . 11 . C4' . 11 . C3' . 11 . O3' . 12 . P parsed_1lae 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.0 -152.0 . . 12 . C4' . 12 . C3' . 12 . O3' . 13 . P parsed_1lae 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 -119.0 . . 1 . C3' . 1 . O3' . 2 . P . 2 . O5' parsed_1lae 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.0 -108.0 . . 2 . C3' . 2 . O3' . 3 . P . 3 . O5' parsed_1lae 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.0 -118.0 . . 3 . C3' . 3 . O3' . 4 . P . 4 . O5' parsed_1lae 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.0 -111.0 . . 4 . C3' . 4 . O3' . 5 . P . 5 . O5' parsed_1lae 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.0 -116.0 . . 5 . C3' . 5 . O3' . 6 . P . 6 . O5' parsed_1lae 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 -109.0 . . 9 . C3' . 9 . O3' . 10 . P . 10 . O5' parsed_1lae 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.0 -118.0 . . 10 . C3' . 10 . O3' . 11 . P . 11 . O5' parsed_1lae 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -110.0 . . 11 . C3' . 11 . O3' . 12 . P . 12 . O5' parsed_1lae 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -116.0 . . 12 . C3' . 12 . O3' . 13 . P . 13 . O5' parsed_1lae 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 1 . O5' . 1 . C5' . 1 . C4' . 1 . C3' parsed_1lae 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 2 . O5' . 2 . C5' . 2 . C4' . 2 . C3' parsed_1lae 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 3 . O5' . 3 . C5' . 3 . C4' . 3 . C3' parsed_1lae 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 4 . O5' . 4 . C5' . 4 . C4' . 4 . C3' parsed_1lae 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 5 . O5' . 5 . C5' . 5 . C4' . 5 . C3' parsed_1lae 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 6 . O5' . 6 . C5' . 6 . C4' . 6 . C3' parsed_1lae 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 7 . O5' . 7 . C5' . 7 . C4' . 7 . C3' parsed_1lae 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 8 . O5' . 8 . C5' . 8 . C4' . 8 . C3' parsed_1lae 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 270.0 . . 9 . O5' . 9 . C5' . 9 . C4' . 9 . C3' parsed_1lae 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 10 . O5' . 10 . C5' . 10 . C4' . 10 . C3' parsed_1lae 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 11 . O5' . 11 . C5' . 11 . C4' . 11 . C3' parsed_1lae 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 12 . O5' . 12 . C5' . 12 . C4' . 12 . C3' parsed_1lae 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 13 . O5' . 13 . C5' . 13 . C4' . 13 . C3' parsed_1lae 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "backbone epsilon angles" 1 1 1 26 parsed_1lae 1
2 "backbone zeta angles" 26 1 26 23 parsed_1lae 1
3 "backbone gamma angles" 45 1 45 24 parsed_1lae 1
4 "message=on echo=on" 73 1 73 26 parsed_1lae 1
stop_
save_
save_MR_file_comment_9
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1lae
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 9
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! Sugar Dihedral Angle Restraints
set message=off echo=off end
;
save_
save_CNS/XPLOR_dihedral_10
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1lae
_Torsion_angle_constraint_list.ID 2
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 10
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.0 1.0 . . 1 . C4' . 1 . O4' . 1 . C1' . 1 . C2' parsed_1lae 2
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 40.0 . . 1 . O4' . 1 . C1' . 1 . C2' . 1 . C3' parsed_1lae 2
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 -35.5 . . 1 . C1' . 1 . C2' . 1 . C3' . 1 . C4' parsed_1lae 2
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18.0 38.0 . . 1 . C2' . 1 . C3' . 1 . C4' . 1 . O4' parsed_1lae 2
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.0 7.0 . . 1 . C3' . 1 . C4' . 1 . O4' . 1 . C1' parsed_1lae 2
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 -6.0 . . 2 . C4' . 2 . O4' . 2 . C1' . 2 . C2' parsed_1lae 2
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.0 40.0 . . 2 . O4' . 2 . C1' . 2 . C2' . 2 . C3' parsed_1lae 2
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -32.0 . . 2 . C1' . 2 . C2' . 2 . C3' . 2 . C4' parsed_1lae 2
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 36.0 . . 2 . C2' . 2 . C3' . 2 . C4' . 2 . O4' parsed_1lae 2
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.0 12.0 . . 2 . C3' . 2 . C4' . 2 . O4' . 2 . C1' parsed_1lae 2
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -0.5 . . 3 . C4' . 3 . O4' . 3 . C1' . 3 . C2' parsed_1lae 2
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 39.0 . . 3 . O4' . 3 . C1' . 3 . C2' . 3 . C3' parsed_1lae 2
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.0 -26.0 . . 3 . C1' . 3 . C2' . 3 . C3' . 3 . C4' parsed_1lae 2
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 38.0 . . 3 . C2' . 3 . C3' . 3 . C4' . 3 . O4' parsed_1lae 2
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.0 21.0 . . 3 . C3' . 3 . C4' . 3 . O4' . 3 . C1' parsed_1lae 2
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 1.0 . . 4 . C4' . 4 . O4' . 4 . C1' . 4 . C2' parsed_1lae 2
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 39.0 . . 4 . O4' . 4 . C1' . 4 . C2' . 4 . C3' parsed_1lae 2
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.0 -26.0 . . 4 . C1' . 4 . C2' . 4 . C3' . 4 . C4' parsed_1lae 2
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 38.0 . . 4 . C2' . 4 . C3' . 4 . C4' . 4 . O4' parsed_1lae 2
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.0 21.0 . . 4 . C3' . 4 . C4' . 4 . O4' . 4 . C1' parsed_1lae 2
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 2.5 . . 5 . C4' . 5 . O4' . 5 . C1' . 5 . C2' parsed_1lae 2
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.0 38.0 . . 5 . O4' . 5 . C1' . 5 . C2' . 5 . C3' parsed_1lae 2
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -22.5 . . 5 . C1' . 5 . C2' . 5 . C3' . 5 . C4' parsed_1lae 2
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -1.0 39.0 . . 5 . C2' . 5 . C3' . 5 . C4' . 5 . O4' parsed_1lae 2
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.0 25.0 . . 5 . C3' . 5 . C4' . 5 . O4' . 5 . C1' parsed_1lae 2
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 0.0 . . 6 . C4' . 6 . O4' . 6 . C1' . 6 . C2' parsed_1lae 2
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 40.0 . . 6 . O4' . 6 . C1' . 6 . C2' . 6 . C3' parsed_1lae 2
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.0 -32.0 . . 6 . C1' . 6 . C2' . 6 . C3' . 6 . C4' parsed_1lae 2
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 38.0 . . 6 . C2' . 6 . C3' . 6 . C4' . 6 . O4' parsed_1lae 2
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.0 12.0 . . 6 . C3' . 6 . C4' . 6 . O4' . 6 . C1' parsed_1lae 2
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 10.0 . . 7 . C4' . 7 . O4' . 7 . C1' . 7 . C2' parsed_1lae 2
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 40.0 . . 7 . O4' . 7 . C1' . 7 . C2' . 7 . C3' parsed_1lae 2
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.5 -33.5 . . 7 . C1' . 7 . C2' . 7 . C3' . 7 . C4' parsed_1lae 2
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14.0 40.0 . . 7 . C2' . 7 . C3' . 7 . C4' . 7 . O4' parsed_1lae 2
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.0 11.0 . . 7 . C3' . 7 . C4' . 7 . O4' . 7 . C1' parsed_1lae 2
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.5 0.5 . . 8 . C4' . 8 . O4' . 8 . C1' . 8 . C2' parsed_1lae 2
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 40.0 . . 8 . O4' . 8 . C1' . 8 . C2' . 8 . C3' parsed_1lae 2
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.0 -32.0 . . 8 . C1' . 8 . C2' . 8 . C3' . 8 . C4' parsed_1lae 2
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 38.0 . . 8 . C2' . 8 . C3' . 8 . C4' . 8 . O4' parsed_1lae 2
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.0 12.0 . . 8 . C3' . 8 . C4' . 8 . O4' . 8 . C1' parsed_1lae 2
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 4.0 . . 9 . C4' . 9 . O4' . 9 . C1' . 9 . C2' parsed_1lae 2
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 40.0 . . 9 . O4' . 9 . C1' . 9 . C2' . 9 . C3' parsed_1lae 2
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -32.5 . . 9 . C1' . 9 . C2' . 9 . C3' . 9 . C4' parsed_1lae 2
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 39.0 . . 9 . C2' . 9 . C3' . 9 . C4' . 9 . O4' parsed_1lae 2
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27.0 12.0 . . 9 . C3' . 9 . C4' . 9 . O4' . 9 . C1' parsed_1lae 2
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 -1.5 . . 10 . C4' . 10 . O4' . 10 . C1' . 10 . C2' parsed_1lae 2
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 38.0 . . 10 . O4' . 10 . C1' . 10 . C2' . 10 . C3' parsed_1lae 2
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 -23.5 . . 10 . C1' . 10 . C2' . 10 . C3' . 10 . C4' parsed_1lae 2
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -1.0 38.0 . . 10 . C2' . 10 . C3' . 10 . C4' . 10 . O4' parsed_1lae 2
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -22.0 24.0 . . 10 . C3' . 10 . C4' . 10 . O4' . 10 . C1' parsed_1lae 2
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 -6.0 . . 11 . C4' . 11 . O4' . 11 . C1' . 11 . C2' parsed_1lae 2
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.0 40.0 . . 11 . O4' . 11 . C1' . 11 . C2' . 11 . C3' parsed_1lae 2
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.5 -33.5 . . 11 . C1' . 11 . C2' . 11 . C3' . 11 . C4' parsed_1lae 2
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14.0 36.0 . . 11 . C2' . 11 . C3' . 11 . C4' . 11 . O4' parsed_1lae 2
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.0 11.0 . . 11 . C3' . 11 . C4' . 11 . O4' . 11 . C1' parsed_1lae 2
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.0 21.0 . . 12 . C4' . 12 . O4' . 12 . C1' . 12 . C2' parsed_1lae 2
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 40.0 . . 12 . O4' . 12 . C1' . 12 . C2' . 12 . C3' parsed_1lae 2
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.0 -26.0 . . 12 . C1' . 12 . C2' . 12 . C3' . 12 . C4' parsed_1lae 2
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 39.0 . . 12 . C2' . 12 . C3' . 12 . C4' . 12 . O4' parsed_1lae 2
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 9.5 . . 12 . C3' . 12 . C4' . 12 . O4' . 12 . C1' parsed_1lae 2
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.0 -1.0 . . 13 . C4' . 13 . O4' . 13 . C1' . 13 . C2' parsed_1lae 2
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 40.0 . . 13 . O4' . 13 . C1' . 13 . C2' . 13 . C3' parsed_1lae 2
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.0 -32.0 . . 13 . C1' . 13 . C2' . 13 . C3' . 13 . C4' parsed_1lae 2
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.0 38.0 . . 13 . C2' . 13 . C3' . 13 . C4' . 13 . O4' parsed_1lae 2
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -22.0 14.0 . . 13 . C3' . 13 . C4' . 13 . O4' . 13 . C1' parsed_1lae 2
stop_
save_
save_MR_file_comment_11
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1lae
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 11
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on echo=on end
! Base Pair Planarity Restraints
set message=off echo=off end
;
save_
save_CNS/XPLOR_dihedral_12
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1lae
_Torsion_angle_constraint_list.ID 3
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 12
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 13 . C2 . 13 . N1 . 1 . N3 . 1 . C2 parsed_1lae 3
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 13 . C2 . 13 . N1 . 1 . N3 . 1 . C4 parsed_1lae 3
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 2 . C2 . 2 . N1 . 12 . N3 . 12 . C2 parsed_1lae 3
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 2 . C2 . 2 . N1 . 12 . N3 . 12 . C4 parsed_1lae 3
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 11 . C2 . 11 . N1 . 3 . N3 . 3 . C2 parsed_1lae 3
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 11 . C2 . 11 . N1 . 3 . N3 . 3 . C4 parsed_1lae 3
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 4 . C2 . 4 . N1 . 10 . N3 . 10 . C2 parsed_1lae 3
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 4 . C2 . 4 . N1 . 10 . N3 . 10 . C4 parsed_1lae 3
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 5 . C2 . 5 . N1 . 9 . N3 . 9 . C2 parsed_1lae 3
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 5 . C2 . 5 . N1 . 9 . N3 . 9 . C4 parsed_1lae 3
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 "base pair planarity" 1 2 1 23 parsed_1lae 3
stop_
save_
save_MR_file_comment_13
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1lae
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 13
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on echo=on end
;
save_
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